99
Coordinates from ORCA-job orca E -6204.825632245848
  N      -2.928222      1.379318      5.201714
  Mo     -3.630396      3.296959      5.137319
  N      -4.492193      3.008829      6.877966
  C      -3.634476      3.083006      8.037236
  C      -2.247403      2.540945      7.672290
  N      -1.780055      3.164060      6.424840
  C      -0.797404      2.309984      5.742926
  C      -1.527011      1.160572      5.002006
  C      -1.233668      4.503718      6.679727
  C      -1.758416      5.439072      5.579817
  N      -3.172700      5.179307      5.434453
  H      -1.266311      1.177457      3.926396
  H      -1.219887      0.181470      5.399143
  H      -0.268892      2.923073      5.009744
  H      -0.068111      1.918551      6.462951
  H      -1.547402      6.479625      5.846937
  H      -1.243448      5.218286      4.633907
  H      -1.613042      4.867251      7.637801
  H      -0.139736      4.493431      6.716544
  H      -4.031331      2.488110      8.873212
  H      -3.556607      4.127698      8.384654
  H      -2.345955      1.468242      7.493683
  H      -1.531643      2.709507      8.485964
  C      -3.891287      1.054162      4.248425
  C      -4.836937     -0.105577      4.585924
  C      -6.243225      0.143237      4.011398
  C      -6.194205      0.539444      2.562611
  N      -6.106885      1.857180      2.325421
  C      -6.033686      2.247017      1.051610
  N      -6.051730      1.500363     -0.013726
  C      -6.143547      0.154704      0.183251
  C      -6.162621     -0.697081     -0.927703
  C      -6.237351     -2.060689     -0.749632
  C      -6.291281     -2.604171      0.536146
  C      -6.277347     -1.792440      1.644928
  C      -6.208987     -0.392132      1.500359
  C      -4.019552      6.276738      5.832615
  C      -3.948816      7.528888      4.934286
  C      -4.233926      7.228957      3.463962
  C      -5.646525      6.792298      3.193062
  N      -6.525486      6.840466      4.200428
  C      -7.736170      6.349381      3.976315
  N      -8.201950      5.814045      2.877078
  C      -7.370447      5.835281      1.798664
  C      -7.839058      5.366853      0.564178
  C      -7.021022      5.405627     -0.545653
  C      -5.718170      5.894240     -0.445582
  C      -5.227135      6.348172      0.758306
  C      -6.041546      6.338504      1.905754
  C      -5.858323      2.699293      7.184936
  C      -6.706407      3.930605      7.568748
  C      -8.204210      3.626828      7.588842
  C      -8.808837      3.366599      6.234852
  N      -8.025175      3.429362      5.172759
  C      -8.553600      3.165386      3.967932
  N      -9.776915      2.809653      3.716194
  C     -10.632285      2.764724      4.772026
  C     -11.979099      2.426569      4.550929
  C     -12.857811      2.384806      5.602646
  C     -12.425863      2.673651      6.904466
  C     -11.117751      2.998952      7.151994
  C     -10.187589      3.052121      6.094308
  H      -3.496317      0.935154      3.214831
  H      -4.559395      1.981369      4.301196
  H      -4.903881     -0.201561      5.672773
  H      -4.431879     -1.035560      4.180034
  H      -6.859580     -0.746993      4.140094
  H      -6.714152      0.965079      4.560965
  H      -5.951870      3.317164      0.893592
  H      -6.115635     -0.251291     -1.908184
  H      -6.253272     -2.714570     -1.607207
  H      -6.345677     -3.674706      0.659663
  H      -6.319579     -2.225565      2.631996
  H      -5.051322      5.922164      5.820638
  H      -3.772203      6.597108      6.859951
  H      -2.960781      7.985895      5.003373
  H      -4.686084      8.243650      5.300288
  H      -4.026411      8.124434      2.869749
  H      -3.550863      6.443053      3.116649
  H      -8.421830      6.392941      4.816702
  H      -8.848888      4.989618      0.512508
  H      -7.388352      5.050413     -1.495564
  H      -5.089060      5.914683     -1.321953
  H      -4.218359      6.726028      0.821906
  H      -5.922675      1.967199      8.008017
  H      -6.313613      2.251542      6.298648
  H      -6.403608      4.286085      8.554862
  H      -6.512049      4.727167      6.846977
  H      -8.393666      2.756195      8.223492
  H      -8.732139      4.475620      8.033255
  H      -7.878638      3.223101      3.135432
  H     -12.284991      2.214431      3.538632
  H     -13.891980      2.130547      5.430016
  H     -13.133911      2.638364      7.717598
  H     -10.793684      3.222276      8.156017
  N      -2.347890      3.433698      3.442214
  H      -2.625642      4.171289      2.796324
  H      -2.325492      2.574629      2.894618
  H      -1.380608      3.631079      3.694732
99
Coordinates from ORCA-job orca E -6204.846119940933
  N      -2.929582      1.396503      5.184443
  Mo     -3.619219      3.326776      5.141054
  N      -4.499517      3.043736      6.883564
  C      -3.635522      3.111297      8.054325
  C      -2.255417      2.548484      7.700532
  N      -1.765504      3.170459      6.444425
  C      -0.781813      2.299850      5.760435
  C      -1.521607      1.163994      4.996763
  C      -1.208254      4.518248      6.708512
  C      -1.712291      5.466439      5.609439
  N      -3.135325      5.212493      5.451216
  H      -1.237119      1.180108      3.923844
  H      -1.229024      0.174846      5.390099
  H      -0.228230      2.914814      5.040549
  H      -0.060407      1.896973      6.488870
  H      -1.498462      6.508094      5.890016
  H      -1.174322      5.263025      4.668214
  H      -1.598493      4.876551      7.668875
  H      -0.108843      4.496579      6.763234
  H      -4.042124      2.520077      8.893821
  H      -3.541270      4.158376      8.408960
  H      -2.364011      1.473878      7.521834
  H      -1.536578      2.709547      8.521566
  C      -3.909342      1.085823      4.222644
  C      -4.872241     -0.067716      4.544298
  C      -6.280932      0.191346      3.967390
  C      -6.228281      0.616211      2.523695
  N      -6.148163      1.941561      2.305703
  C      -6.059396      2.353595      1.026397
  N      -6.061841      1.610601     -0.060768
  C      -6.150613      0.255709      0.125037
  C      -6.155599     -0.595784     -0.997328
  C      -6.226228     -1.969488     -0.830352
  C      -6.290588     -2.526277      0.458168
  C      -6.290451     -1.715563      1.578219
  C      -6.227177     -0.306173      1.443228
  C      -3.996403      6.306008      5.859259
  C      -3.920562      7.539512      4.939866
  C      -4.191469      7.197310      3.472579
  C      -5.602593      6.751156      3.175278
  N      -6.524430      6.856804      4.141714
  C      -7.750655      6.377620      3.883311
  N      -8.179963      5.799697      2.777505
  C      -7.292209      5.757497      1.737757
  C      -7.708944      5.237139      0.495389
  C      -6.833435      5.211019     -0.577934
  C      -5.520068      5.688157     -0.435227
  C      -5.080103      6.192700      0.776429
  C      -5.953361      6.244636      1.888403
  C      -5.880789      2.738757      7.187427
  C      -6.742477      3.963454      7.559600
  C      -8.239933      3.641838      7.596242
  C      -8.877511      3.350575      6.256748
  N      -8.129334      3.408894      5.165544
  C      -8.701543      3.113250      3.973388
  N      -9.941290      2.729376      3.768869
  C     -10.754989      2.688958      4.863938
  C     -12.111374      2.323014      4.704263
  C     -12.951439      2.286028      5.796501
  C     -12.470353      2.607737      7.082130
  C     -11.151027      2.961122      7.268839
  C     -10.262161      3.009753      6.168133
  H      -3.522306      0.977846      3.184916
  H      -4.588859      2.019413      4.277463
  H      -4.940141     -0.178143      5.634817
  H      -4.463295     -0.997812      4.125505
  H      -6.899957     -0.707409      4.084907
  H      -6.755742      1.006750      4.530204
  H      -5.983190      3.434789      0.882858
  H      -6.101096     -0.139124     -1.983731
  H      -6.231269     -2.623328     -1.701196
  H      -6.342673     -3.608013      0.575082
  H      -6.341492     -2.159647      2.570947
  H      -5.031982      5.948799      5.847949
  H      -3.756572      6.630656      6.892153
  H      -2.925085      8.000341      5.009113
  H      -4.661533      8.269100      5.289411
  H      -3.964802      8.074874      2.844884
  H      -3.499686      6.398243      3.162497
  H      -8.476271      6.466776      4.697723
  H      -8.729777      4.869080      0.410434
  H      -7.162355      4.812161     -1.536008
  H      -4.841683      5.658043     -1.286766
  H      -4.060042      6.561016      0.873939
  H      -5.944773      2.006373      8.019044
  H      -6.334268      2.280521      6.300014
  H      -6.438947      4.337509      8.547605
  H      -6.556373      4.756966      6.824904
  H      -8.412969      2.774174      8.252903
  H      -8.778677      4.491107      8.044280
  H      -8.044610      3.174615      3.106689
  H     -12.457929      2.084705      3.700348
  H     -13.996959      2.009009      5.668910
  H     -13.149877      2.575653      7.932545
  H     -10.787044      3.210090      8.264036
  N      -2.358257      3.488896      3.363671
  H      -2.659114      4.241408      2.737379
  H      -2.357386      2.640017      2.788430
  H      -1.373853      3.679756      3.574389
99
Coordinates from ORCA-job orca E -6204.852170527321
  N      -2.895080      1.321639      5.210371
  Mo     -3.593030      3.253652      5.158412
  N      -4.461123      3.009066      6.919369
  C      -3.574694      3.093491      8.085242
  C      -2.201113      2.518646      7.726844
  N      -1.717367      3.122710      6.443551
  C      -0.737601      2.238545      5.753990
  C      -1.484813      1.092112      5.007493
  C      -1.159303      4.486050      6.678824
  C      -1.674819      5.421368      5.573931
  N      -3.102829      5.155776      5.437876
  H      -1.203432      1.092843      3.931567
  H      -1.183485      0.106353      5.409566
  H      -0.187452      2.850329      5.023706
  H      -0.003742      1.848829      6.481665
  H      -1.463212      6.469531      5.845747
  H      -1.136402      5.223223      4.628537
  H      -1.544291      4.851381      7.641487
  H      -0.055565      4.464095      6.729029
  H      -3.973746      2.519296      8.943516
  H      -3.466173      4.147589      8.424892
  H      -2.309290      1.439244      7.565754
  H      -1.468155      2.693266      8.537770
  C      -3.901652      0.989511      4.266953
  C      -4.858692     -0.163837      4.625037
  C      -6.276657      0.068060      4.060379
  C      -6.213438      0.455685      2.608664
  N      -6.124149      1.773466      2.355329
  C      -5.996599      2.144538      1.057287
  N      -5.978202      1.361722     -0.017065
  C      -6.084430      0.011177      0.215247
  C      -6.070570     -0.887266     -0.878267
  C      -6.153243     -2.259540     -0.662940
  C      -6.248383     -2.771000      0.649161
  C      -6.266916     -1.913245      1.741540
  C      -6.193599     -0.504866      1.553994
  C      -3.984849      6.232933      5.873189
  C      -3.972500      7.492902      4.987906
  C      -4.302471      7.253658      3.510233
  C      -5.726629      6.824921      3.225493
  N      -6.611382      6.827643      4.231839
  C      -7.863975      6.383318      3.966375
  N      -8.345424      5.942877      2.809558
  C      -7.492113      6.023529      1.738301
  C      -7.965152      5.678694      0.447844
  C      -7.130506      5.787742     -0.658038
  C      -5.796993      6.225359     -0.504585
  C      -5.302258      6.558491      0.751032
  C      -6.135229      6.471671      1.899056
  C      -5.854729      2.720945      7.218847
  C      -6.705230      3.956305      7.574702
  C      -8.205775      3.654589      7.572822
  C      -8.794579      3.398737      6.201205
  N      -7.998712      3.488829      5.144618
  C      -8.526376      3.238939      3.911248
  N      -9.770042      2.868849      3.639213
  C     -10.624955      2.795327      4.707056
  C     -11.982231      2.443169      4.484881
  C     -12.867618      2.375496      5.546289
  C     -12.433408      2.652777      6.865437
  C     -11.113802      2.992298      7.112126
  C     -10.181782      3.069756      6.043977
  H      -3.537526      0.871155      3.223337
  H      -4.607220      1.920069      4.310960
  H      -4.905971     -0.253154      5.721791
  H      -4.443663     -1.101046      4.217065
  H      -6.890830     -0.835243      4.205172
  H      -6.755553      0.895602      4.606356
  H      -5.903467      3.220371      0.883700
  H      -5.991129     -0.466128     -1.885472
  H      -6.143339     -2.948669     -1.514047
  H      -6.309800     -3.853261      0.806210
  H      -6.342351     -2.321572      2.754320
  H      -5.015695      5.853243      5.894947
  H      -3.719978      6.541642      6.907529
  H      -2.979493      7.972750      5.046341
  H      -4.713069      8.193303      5.405931
  H      -4.107293      8.187477      2.947393
  H      -3.614985      6.493676      3.100623
  H      -8.558607      6.378423      4.817820
  H      -9.000042      5.336301      0.355066
  H      -7.504144      5.522752     -1.651967
  H      -5.148323      6.302197     -1.383532
  H      -4.269049      6.904654      0.855752
  H      -5.938220      1.989607      8.054648
  H      -6.301293      2.261611      6.324379
  H      -6.413544      4.327301      8.573122
  H      -6.494740      4.751722      6.843324
  H      -8.412755      2.778042      8.216431
  H      -8.755703      4.503457      8.019044
  H      -7.821772      3.337286      3.072146
  H     -12.294551      2.239638      3.455919
  H     -13.914778      2.108650      5.368409
  H     -13.148360      2.597502      7.693041
  H     -10.784860      3.206965      8.133597
  N      -2.381778      3.413782      3.272814
  H      -2.722462      4.161909      2.656742
  H      -2.400629      2.563320      2.693619
  H      -1.384103      3.613689      3.421505
99
Coordinates from ORCA-job orca E -6204.859917813621
  N      -2.946521      1.332761      5.200698
  Mo     -3.599142      3.277882      5.158875
  N      -4.491489      3.066490      6.914281
  C      -3.612197      3.144783      8.086754
  C      -2.253552      2.529989      7.747283
  N      -1.739370      3.110800      6.462956
  C      -0.778454      2.201591      5.779530
  C      -1.540207      1.078303      5.014510
  C      -1.150410      4.462183      6.695068
  C      -1.626834      5.400707      5.579674
  N      -3.056482      5.174197      5.426955
  H      -1.238098      1.077757      3.944764
  H      -1.264145      0.084210      5.413929
  H      -0.202737      2.807817      5.064722
  H      -0.061290      1.793481      6.513447
  H      -1.393771      6.445164      5.849278
  H      -1.076042      5.190877      4.643675
  H      -1.537024      4.838924      7.651953
  H      -0.049547      4.405106      6.763502
  H      -4.032115      2.588567      8.946323
  H      -3.481277      4.196468      8.421534
  H      -2.382973      1.452703      7.589550
  H      -1.521512      2.691894      8.560264
  C      -3.958378      1.020251      4.251603
  C      -4.942938     -0.113186      4.593089
  C      -6.343621      0.144004      3.998340
  C      -6.234305      0.551814      2.554136
  N      -6.136640      1.871634      2.320857
  C      -5.948545      2.257223      1.034534
  N      -5.879433      1.489999     -0.049107
  C      -5.998517      0.138184      0.164520
  C      -5.937690     -0.747482     -0.936999
  C      -6.031164     -2.121690     -0.743224
  C      -6.185195     -2.649670      0.556207
  C      -6.250873     -1.804539      1.656375
  C      -6.168497     -0.394946      1.488671
  C      -3.921567      6.268729      5.851824
  C      -3.885072      7.500487      4.935246
  C      -4.220335      7.210601      3.472451
  C      -5.651842      6.800396      3.216290
  N      -6.531551      6.904670      4.217525
  C      -7.803952      6.502576      3.974445
  N      -8.304732      6.009547      2.848444
  C      -7.444818      5.975442      1.781053
  C      -7.927407      5.557038      0.516432
  C      -7.086116      5.546815     -0.588047
  C      -5.735194      5.937364     -0.459485
  C      -5.232236      6.340637      0.770904
  C      -6.071752      6.371706      1.916352
  C      -5.889867      2.790648      7.205504
  C      -6.748061      4.024667      7.535667
  C      -8.242631      3.700022      7.564272
  C      -8.858465      3.396288      6.215166
  N      -8.096978      3.487760      5.135700
  C      -8.657351      3.197158      3.924969
  N      -9.894641      2.783238      3.695047
  C     -10.710011      2.703276      4.791096
  C     -12.060387      2.301327      4.619056
  C     -12.910103      2.227220      5.707578
  C     -12.446793      2.547401      7.006904
  C     -11.132854      2.936234      7.204020
  C     -10.238373      3.020931      6.106206
  H      -3.596515      0.904275      3.209326
  H      -4.665143      1.958221      4.283392
  H      -5.007181     -0.207627      5.688116
  H      -4.533380     -1.053821      4.188854
  H      -6.970429     -0.752190      4.120040
  H      -6.826062      0.970369      4.542351
  H      -5.848713      3.334434      0.879364
  H      -5.813633     -0.315598     -1.933329
  H      -5.984378     -2.798685     -1.600322
  H      -6.255268     -3.731699      0.696687
  H      -6.372105     -2.224374      2.657771
  H      -4.957447      5.904898      5.882421
  H      -3.653624      6.589365      6.880897
  H      -2.884080      7.963478      4.978450
  H      -4.609602      8.229374      5.331916
  H      -4.004602      8.110771      2.865777
  H      -3.550401      6.419839      3.093916
  H      -8.495124      6.581580      4.820942
  H      -8.974148      5.253032      0.443432
  H      -7.466537      5.224170     -1.560185
  H      -5.081871      5.920664     -1.335848
  H      -4.186934      6.647424      0.856923
  H      -5.974388      2.072594      8.051174
  H      -6.327026      2.311980      6.316882
  H      -6.451991      4.426662      8.519722
  H      -6.554914      4.802841      6.782606
  H      -8.425207      2.839896      8.235362
  H      -8.802786      4.545114      8.002860
  H      -7.983466      3.305802      3.068160
  H     -12.396875      2.065199      3.606606
  H     -13.950544      1.921980      5.567482
  H     -13.132397      2.486018      7.856000
  H     -10.781374      3.182357      8.208707
  N      -2.403955      3.431777      3.210434
  H      -2.752005      4.190312      2.614216
  H      -2.455661      2.592184      2.620314
  H      -1.399205      3.613173      3.324560
99
Coordinates from ORCA-job orca E -6204.863821325624
  N      -2.979423      1.353960      5.168313
  Mo     -3.606748      3.296880      5.158578
  N      -4.519854      3.103667      6.902874
  C      -3.650283      3.171784      8.080939
  C      -2.302600      2.532411      7.754241
  N      -1.766938      3.107928      6.477956
  C      -0.816659      2.196161      5.788766
  C      -1.575855      1.096213      4.994674
  C      -1.161638      4.449698      6.716352
  C      -1.610221      5.391507      5.596204
  N      -3.034781      5.188871      5.426704
  H      -1.255469      1.112633      3.931194
  H      -1.309465      0.093400      5.378930
  H      -0.227466      2.813117      5.096339
  H      -0.109441      1.769347      6.521658
  H      -1.367965      6.433059      5.870100
  H      -1.046404      5.180344      4.668077
  H      -1.551964      4.828403      7.670010
  H      -0.064610      4.367694      6.802340
  H      -4.087368      2.624746      8.937219
  H      -3.504936      4.218496      8.419332
  H      -2.442716      1.457835      7.588475
  H      -1.572390      2.680063      8.569938
  C      -3.987129      1.055204      4.211696
  C      -4.976451     -0.081483      4.519986
  C      -6.363644      0.178631      3.893332
  C      -6.226322      0.627598      2.461560
  N      -6.158404      1.955309      2.265366
  C      -5.934637      2.382995      1.000932
  N      -5.800672      1.652313     -0.097365
  C      -5.892050      0.292993      0.075813
  C      -5.767381     -0.556929     -1.045473
  C      -5.832031     -1.935939     -0.896039
  C      -6.021323     -2.506291      0.378426
  C      -6.149823     -1.697430      1.497528
  C      -6.097399     -0.284365      1.373722
  C      -3.899545      6.276796      5.860437
  C      -3.867508      7.485280      4.919287
  C      -4.205149      7.117718      3.478591
  C      -5.630326      6.676467      3.250962
  N      -6.515117      6.851048      4.235487
  C      -7.787770      6.448367      4.004853
  N      -8.284165      5.896688      2.909037
  C      -7.410219      5.766835      1.861657
  C      -7.878701      5.251999      0.629593
  C      -7.023606      5.141785     -0.455255
  C      -5.672477      5.530138     -0.340819
  C      -5.184546      6.026636      0.858035
  C      -6.037751      6.153356      1.983677
  C      -5.921729      2.850081      7.187362
  C      -6.762248      4.099410      7.491658
  C      -8.259015      3.794033      7.552704
  C      -8.913311      3.445084      6.234927
  N      -8.182092      3.477132      5.132552
  C      -8.784544      3.140992      3.956365
  N     -10.029637      2.739152      3.778901
  C     -10.811764      2.718058      4.900189
  C     -12.169409      2.326242      4.785477
  C     -12.985940      2.308715      5.898670
  C     -12.481599      2.676856      7.167442
  C     -11.159595      3.056487      7.308135
  C     -10.299272      3.083073      6.183230
  H      -3.623530      0.959888      3.169299
  H      -4.713167      1.984325      4.234731
  H      -5.060042     -0.196425      5.610778
  H      -4.551598     -1.012235      4.110825
  H      -6.981015     -0.725794      3.982876
  H      -6.868130      0.986717      4.443588
  H      -5.863684      3.467892      0.879087
  H      -5.618171     -0.094328     -2.022069
  H      -5.735799     -2.583636     -1.768638
  H      -6.069228     -3.591158      0.484027
  H      -6.298459     -2.149325      2.478637
  H      -4.931863      5.905601      5.900669
  H      -3.633753      6.604649      6.886703
  H      -2.870317      7.954754      4.941939
  H      -4.588653      8.227472      5.293653
  H      -3.996038      7.976741      2.815292
  H      -3.526849      6.314799      3.145526
  H      -8.483840      6.589409      4.837000
  H      -8.925658      4.953101      0.567114
  H      -7.392133      4.742615     -1.400873
  H      -5.008715      5.435157     -1.201292
  H      -4.139288      6.328503      0.934738
  H      -6.011546      2.145872      8.042062
  H      -6.361083      2.360032      6.306359
  H      -6.453608      4.529601      8.458005
  H      -6.565772      4.851706      6.714193
  H      -8.443169      2.964621      8.258852
  H      -8.801969      4.656921      7.975285
  H      -8.132042      3.180119      3.083903
  H     -12.538615      2.051478      3.796691
  H     -14.031279      2.011124      5.802127
  H     -13.140546      2.659869      8.036469
  H     -10.776936      3.339258      8.289030
  N      -2.442140      3.477633      3.133798
  H      -2.816747      4.248398      2.572749
  H      -2.523783      2.653342      2.528184
  H      -1.434378      3.654269      3.205949
99
Coordinates from ORCA-job orca E -6204.866539921129
  N      -3.017084      1.347315      5.163645
  Mo     -3.645174      3.280481      5.169292
  N      -4.541605      3.106378      6.920716
  C      -3.663787      3.183419      8.090126
  C      -2.323144      2.536675      7.757173
  N      -1.798894      3.104266      6.474514
  C      -0.855931      2.194374      5.775062
  C      -1.614884      1.097360      4.980418
  C      -1.193082      4.446638      6.702138
  C      -1.645520      5.378943      5.578222
  N      -3.066821      5.176709      5.406502
  H      -1.298892      1.119897      3.916070
  H      -1.340621      0.093934      5.358540
  H      -0.272522      2.817796      5.084574
  H      -0.142055      1.765173      6.500641
  H      -1.404754      6.422980      5.845899
  H      -1.079627      5.165500      4.651752
  H      -1.579145      4.829717      7.655641
  H      -0.096484      4.360809      6.787631
  H      -4.095838      2.644697      8.954248
  H      -3.513359      4.231272      8.421220
  H      -2.464273      1.461437      7.596372
  H      -1.583743      2.686931      8.563816
  C      -4.035190      1.037131      4.224495
  C      -5.005141     -0.113541      4.549382
  C      -6.408142      0.109978      3.942620
  C      -6.312827      0.569498      2.511322
  N      -6.314024      1.900078      2.322574
  C      -6.119783      2.345904      1.061550
  N      -5.952217      1.631085     -0.040286
  C      -5.977080      0.267544      0.123856
  C      -5.818114     -0.567155     -1.003284
  C      -5.816641     -1.947711     -0.863783
  C      -5.972899     -2.535204      0.406508
  C      -6.133772     -1.741869      1.531248
  C      -6.148217     -0.328044      1.417396
  C      -3.943447      6.249524      5.847960
  C      -3.899692      7.488300      4.946217
  C      -4.159762      7.177809      3.476030
  C      -5.549281      6.700939      3.132817
  N      -6.503772      6.767052      4.064025
  C      -7.739653      6.340637      3.713186
  N      -8.139371      5.866939      2.545400
  C      -7.193291      5.851113      1.554592
  C      -7.558536      5.429657      0.254602
  C      -6.634086      5.454332     -0.776019
  C      -5.312913      5.885070     -0.538750
  C      -4.923497      6.281616      0.730128
  C      -5.850056      6.270143      1.802595
  C      -5.938203      2.843732      7.218429
  C      -6.784814      4.088695      7.521681
  C      -8.275778      3.769570      7.631361
  C      -8.970214      3.398749      6.341173
  N      -8.281063      3.443462      5.212748
  C      -8.920557      3.097332      4.060577
  N     -10.161412      2.672721      3.928794
  C     -10.900211      2.632300      5.078817
  C     -12.251529      2.210806      5.014364
  C     -13.024959      2.174981      6.156412
  C     -12.482604      2.554135      7.405071
  C     -11.165830      2.962961      7.496655
  C     -10.349146      3.008037      6.341322
  H      -3.688822      0.947409      3.175859
  H      -4.779915      1.952984      4.243412
  H      -5.070204     -0.226916      5.641310
  H      -4.566233     -1.037783      4.140468
  H      -6.995796     -0.812677      4.041523
  H      -6.927262      0.900948      4.503687
  H      -6.104764      3.433754      0.946716
  H      -5.696369     -0.091836     -1.977151
  H      -5.694379     -2.583496     -1.741402
  H      -5.969599     -3.621450      0.504194
  H      -6.256895     -2.207079      2.509266
  H      -4.971126      5.865365      5.861203
  H      -3.704363      6.553504      6.887988
  H      -2.915610      7.977761      5.027721
  H      -4.645808      8.204473      5.321256
  H      -3.942319      8.074019      2.867488
  H      -3.435592      6.418173      3.138857
  H      -8.493833      6.386494      4.504673
  H      -8.585497      5.099479      0.096125
  H      -6.923591      5.129604     -1.775705
  H      -4.593569      5.896531     -1.358120
  H      -3.900209      6.615885      0.903104
  H      -6.010413      2.146685      8.080103
  H      -6.381411      2.338796      6.347913
  H      -6.455134      4.539463      8.471049
  H      -6.617108      4.829390      6.726893
  H      -8.430729      2.948894      8.354061
  H      -8.815657      4.629616      8.063233
  H      -8.302699      3.154172      3.164547
  H     -12.651506      1.928029      4.040341
  H     -14.065927      1.854230      6.098453
  H     -13.107932      2.522457      8.297677
  H     -10.753873      3.253506      8.462885
  N      -2.539180      3.473713      3.076324
  H      -2.947962      4.245691      2.541957
  H      -2.645488      2.653696      2.469231
  H      -1.531304      3.657728      3.103984
99
Coordinates from ORCA-job orca E -6204.868027111424
  N      -3.065665      1.344514      5.145479
  Mo     -3.655916      3.279467      5.163248
  N      -4.570598      3.122913      6.902929
  C      -3.704768      3.185657      8.081527
  C      -2.372071      2.513432      7.760804
  N      -1.829117      3.073055      6.483822
  C      -0.896522      2.149024      5.787997
  C      -1.665606      1.070320      4.979081
  C      -1.199304      4.404639      6.711524
  C      -1.619402      5.339677      5.575030
  N      -3.042085      5.167465      5.385276
  H      -1.338487      1.097171      3.917798
  H      -1.411699      0.058839      5.353172
  H      -0.296103      2.767426      5.106510
  H      -0.197132      1.699818      6.517300
  H      -1.359799      6.381063      5.838408
  H      -1.047549      5.107183      4.656444
  H      -1.587528      4.802621      7.658516
  H      -0.104261      4.295129      6.810706
  H      -4.156080      2.655790      8.942564
  H      -3.538797      4.232013      8.413425
  H      -2.532747      1.440336      7.597715
  H      -1.635546      2.648095      8.573542
  C      -4.077214      1.048575      4.199670
  C      -5.055691     -0.099721      4.509815
  C      -6.439239      0.120760      3.860310
  C      -6.299846      0.570497      2.429319
  N      -6.325806      1.900767      2.229769
  C      -6.079645      2.338898      0.971619
  N      -5.834495      1.614077     -0.117243
  C      -5.832658      0.250237      0.055311
  C      -5.589879     -0.593322     -1.060379
  C      -5.560277     -1.973198     -0.909731
  C      -5.772586     -2.550652      0.359765
  C      -6.015960     -1.748455      1.473062
  C      -6.058814     -0.335317      1.347910
  C      -3.900701      6.252314      5.830479
  C      -3.838959      7.490033      4.926111
  C      -4.115949      7.173128      3.461579
  C      -5.519552      6.733347      3.136334
  N      -6.466090      6.854443      4.069122
  C      -7.723897      6.480758      3.732023
  N      -8.155157      6.017203      2.575306
  C      -7.215244      5.936679      1.584608
  C      -7.609649      5.507715      0.300620
  C      -6.692633      5.470437     -0.731051
  C      -5.350186      5.842877     -0.510268
  C      -4.929441      6.239769      0.744910
  C      -5.847469      6.292396      1.818751
  C      -5.972249      2.877474      7.189238
  C      -6.801188      4.140162      7.468030
  C      -8.292790      3.836778      7.623548
  C      -9.020139      3.402860      6.365606
  N      -8.355060      3.379261      5.217186
  C      -9.022214      2.962723      4.097436
  N     -10.272591      2.542842      4.017214
  C     -10.988737      2.568967      5.187032
  C     -12.346128      2.145311      5.174907
  C     -13.093011      2.171702      6.338641
  C     -12.516891      2.617873      7.556598
  C     -11.193689      3.030334      7.597388
  C     -10.403054      3.012619      6.418762
  H      -3.722229      0.960695      3.152997
  H      -4.814808      1.966124      4.207934
  H      -5.150506     -0.205060      5.600013
  H      -4.608493     -1.028895      4.120406
  H      -7.027415     -0.803875      3.944076
  H      -6.976791      0.913692      4.401304
  H      -6.098578      3.427910      0.845504
  H      -5.426819     -0.125146     -2.034363
  H      -5.372479     -2.616400     -1.778698
  H      -5.747295     -3.637144      0.466184
  H      -6.182404     -2.206262      2.451445
  H      -4.933853      5.884570      5.846100
  H      -3.655309      6.552094      6.870909
  H      -2.845644      7.959508      4.999079
  H      -4.566381      8.224841      5.301163
  H      -3.880555      8.053895      2.839252
  H      -3.412582      6.392420      3.131897
  H      -8.471692      6.576355      4.523320
  H      -8.653978      5.223914      0.153726
  H      -7.005861      5.143119     -1.719597
  H      -4.640811      5.813694     -1.334572
  H      -3.889044      6.529336      0.905178
  H      -6.058326      2.191986      8.059679
  H      -6.417341      2.367231      6.321780
  H      -6.447645      4.625714      8.395514
  H      -6.640793      4.850178      6.640028
  H      -8.440678      3.050155      8.390972
  H      -8.814338      4.722489      8.027110
  H      -8.422053      2.956208      3.182399
  H     -12.771914      1.808903      4.223046
  H     -14.139257      1.847999      6.321620
  H     -13.122122      2.634960      8.467151
  H     -10.756099      3.373003      8.540851
  N      -2.556885      3.457195      3.050630
  H      -2.964413      4.241165      2.534970
  H      -2.689934      2.641410      2.438981
  H      -1.546158      3.625431      3.069013
99
Coordinates from ORCA-job orca E -6204.869740731103
  N      -3.046993      1.373092      5.126877
  Mo     -3.631996      3.297349      5.180575
  N      -4.555255      3.126600      6.908212
  C      -3.699134      3.176037      8.096914
  C      -2.364952      2.509398      7.778221
  N      -1.818305      3.080528      6.508830
  C      -0.882767      2.163016      5.805623
  C      -1.645497      1.096636      4.973001
  C      -1.186919      4.410694      6.744346
  C      -1.590507      5.347561      5.601489
  N      -3.011890      5.183409      5.392119
  H      -1.310193      1.140283      3.914743
  H      -1.396423      0.078899      5.333621
  H      -0.276152      2.790517      5.136956
  H      -0.190275      1.699530      6.533274
  H      -1.328176      6.387860      5.866940
  H      -1.009438      5.110016      4.689194
  H      -1.582789      4.810972      7.687457
  H      -0.093693      4.296692      6.856182
  H      -4.156020      2.638391      8.948859
  H      -3.535299      4.217915      8.441718
  H      -2.526407      1.438812      7.603195
  H      -1.631695      2.633083      8.596548
  C      -4.055933      1.081316      4.177894
  C      -5.022091     -0.079074      4.480078
  C      -6.399752      0.138779      3.824871
  C      -6.260734      0.563237      2.388924
  N      -6.278564      1.885880      2.156424
  C      -6.047616      2.294021      0.889244
  N      -5.829791      1.543993     -0.177635
  C      -5.841273      0.187575      0.028474
  C      -5.648735     -0.680710     -1.063674
  C      -5.647156     -2.054546     -0.877434
  C      -5.836489     -2.600496      0.404249
  C      -6.030038     -1.772937      1.494570
  C      -6.045507     -0.365583      1.333085
  C      -3.872869      6.265150      5.848671
  C      -3.834537      7.507284      4.943708
  C      -4.131715      7.191522      3.482539
  C      -5.541125      6.754089      3.189348
  N      -6.465199      6.911910      4.138414
  C      -7.736370      6.563565      3.834120
  N      -8.199561      6.090235      2.694562
  C      -7.280190      5.955016      1.689881
  C      -7.704874      5.491628      0.428202
  C      -6.809924      5.401815     -0.620141
  C      -5.459476      5.752279     -0.438252
  C      -5.005795      6.176067      0.797283
  C      -5.901053      6.284177      1.888131
  C      -5.960240      2.870209      7.172839
  C      -6.796390      4.125368      7.457163
  C      -8.286322      3.822258      7.603184
  C      -8.989701      3.400941      6.337042
  N      -8.301254      3.391101      5.207390
  C      -8.939989      2.989557      4.073961
  N     -10.188711      2.591697      3.961120
  C     -10.928320      2.605219      5.110707
  C     -12.281702      2.202392      5.059809
  C     -13.052183      2.214049      6.202371
  C     -12.502904      2.624119      7.435940
  C     -11.184211      3.017542      7.514186
  C     -10.369299      3.016458      6.357584
  H      -3.700781      1.009054      3.128575
  H      -4.800240      1.989969      4.185989
  H      -5.124097     -0.179025      5.570628
  H      -4.569216     -1.009880      4.099719
  H      -6.994537     -0.781079      3.918873
  H      -6.931530      0.941096      4.355703
  H      -6.071566      3.377106      0.732005
  H      -5.506508     -0.237041     -2.048360
  H      -5.502989     -2.716374     -1.727711
  H      -5.836310     -3.682488      0.537970
  H      -6.186117     -2.205058      2.482944
  H      -4.905258      5.892681      5.875817
  H      -3.617189      6.564575      6.887460
  H      -2.842156      7.982650      5.003570
  H      -4.561339      8.239086      5.328795
  H      -3.908013      8.071114      2.852077
  H      -3.431293      6.409280      3.144942
  H      -8.466032      6.694316      4.637066
  H      -8.755006      5.225579      0.310140
  H      -7.148538      5.050658     -1.592356
  H      -4.771907      5.690550     -1.281016
  H      -3.958758      6.447173      0.927570
  H      -6.057130      2.172089      8.030804
  H      -6.392532      2.372153      6.292520
  H      -6.445474      4.608255      8.384151
  H      -6.636945      4.836820      6.633822
  H      -8.440461      3.032288      8.360917
  H      -8.811633      4.705931      8.006786
  H      -8.321479      2.989207      3.172707
  H     -12.685382      1.893402      4.097285
  H     -14.095684      1.906529      6.156179
  H     -13.126566      2.629944      8.329222
  H     -10.768887      3.334391      8.469027
  N      -2.553100      3.492897      3.036890
  H      -2.978539      4.289749      2.550953
  H      -2.700591      2.688272      2.414053
  H      -1.540893      3.661953      3.039680
99
Coordinates from ORCA-job orca E -6204.870920791037
  N      -3.060297      1.363401      5.104668
  Mo     -3.645397      3.276826      5.187196
  N      -4.554043      3.105347      6.917989
  C      -3.692870      3.150313      8.106857
  C      -2.361577      2.487452      7.775664
  N      -1.828213      3.062117      6.501308
  C      -0.895064      2.146965      5.786591
  C      -1.659197      1.083239      4.950297
  C      -1.198971      4.395117      6.731520
  C      -1.599642      5.326052      5.583235
  N      -3.021960      5.165007      5.367648
  H      -1.327446      1.131244      3.892109
  H      -1.410977      0.064452      5.305108
  H      -0.292038      2.776563      5.118452
  H      -0.200817      1.679421      6.508507
  H      -1.335449      6.366736      5.843738
  H      -1.017353      5.080795      4.674195
  H      -1.597158      4.799689      7.671815
  H      -0.107498      4.283390      6.846829
  H      -4.144812      2.611436      8.959658
  H      -3.526224      4.190422      8.454275
  H      -2.524483      1.417842      7.598426
  H      -1.621374      2.608006      8.588333
  C      -4.081267      1.065558      4.165455
  C      -5.027818     -0.107733      4.479569
  C      -6.407232      0.093759      3.826881
  C      -6.262439      0.540035      2.398050
  N      -6.314016      1.866948      2.180925
  C      -6.068107      2.292377      0.920116
  N      -5.796469      1.554730     -0.151913
  C      -5.775566      0.194455      0.039009
  C      -5.527410     -0.661643     -1.059195
  C      -5.492283     -2.041665     -0.887649
  C      -5.703066     -2.605367      0.385339
  C      -5.949358     -1.789635      1.481393
  C      -5.998588     -0.376719      1.334892
  C      -3.883717      6.238828      5.852383
  C      -3.876742      7.493421      4.964156
  C      -4.171359      7.204093      3.495772
  C      -5.573723      6.737370      3.191834
  N      -6.504420      6.859599      4.144387
  C      -7.770847      6.503369      3.822326
  N      -8.221542      6.051803      2.658337
  C      -7.291364      5.937625      1.653187
  C      -7.698938      5.493462      0.365922
  C      -6.783850      5.414724     -0.679448
  C      -5.433456      5.762662     -0.471120
  C      -5.002211      6.180954      0.785707
  C      -5.916521      6.275544      1.874103
  C      -5.963205      2.857832      7.176170
  C      -6.784971      4.123667      7.454584
  C      -8.277163      3.846024      7.616810
  C      -8.997593      3.440434      6.356742
  N      -8.324255      3.438555      5.216374
  C      -8.982003      3.055472      4.086997
  N     -10.238714      2.673105      3.987656
  C     -10.962396      2.682272      5.149793
  C     -12.321815      2.294884      5.116337
  C     -13.075308      2.297709      6.273978
  C     -12.502559      2.684866      7.504587
  C     -11.177770      3.064807      7.565159
  C     -10.379888      3.070781      6.393403
  H      -3.738882      0.999941      3.111253
  H      -4.831076      1.966912      4.175618
  H      -5.126856     -0.198537      5.572015
  H      -4.565044     -1.037245      4.108156
  H      -6.993744     -0.835002      3.906266
  H      -6.950223      0.883032      4.368641
  H      -6.106461      3.375904      0.774557
  H      -5.369891     -0.204922     -2.036617
  H      -5.304160     -2.694520     -1.742941
  H      -5.675709     -3.691335      0.507172
  H      -6.119123     -2.234938      2.461715
  H      -4.914464      5.858647      5.894822
  H      -3.611254      6.529257      6.889241
  H      -2.890339      7.985809      5.029298
  H      -4.616740      8.204851      5.364176
  H      -3.970717      8.105223      2.884576
  H      -3.448933      6.446704      3.136936
  H      -8.507743      6.606111      4.628631
  H      -8.747003      5.224163      0.228504
  H      -7.106562      5.070137     -1.669198
  H      -4.729271      5.708409     -1.311101
  H      -3.956314      6.453942      0.935458
  H      -6.075846      2.158816      8.031815
  H      -6.392323      2.367491      6.290914
  H      -6.416317      4.611471      8.370689
  H      -6.626217      4.824073      6.623405
  H      -8.437069      3.061002      8.375452
  H      -8.784313      4.736974      8.025777
  H      -8.373580      3.048107      3.177290
  H     -12.743158      2.002503      4.156317
  H     -14.122785      2.000345      6.242088
  H     -13.112296      2.683715      8.409737
  H     -10.743998      3.363302      8.517592
  N      -2.608598      3.477574      2.997129
  H      -3.056599      4.279796      2.536486
  H      -2.771844      2.681824      2.371561
  H      -1.594773      3.651883      2.972262
99
Coordinates from ORCA-job orca E -6204.872109823767
  N      -3.064083      1.364474      5.115226
  Mo     -3.629623      3.274342      5.191643
  N      -4.549696      3.128699      6.916572
  C      -3.702897      3.175748      8.114819
  C      -2.374023      2.498351      7.796158
  N      -1.830841      3.056209      6.517628
  C      -0.899255      2.125692      5.818528
  C      -1.664950      1.062654      4.984494
  C      -1.192554      4.386665      6.736501
  C      -1.565210      5.303083      5.566449
  N      -2.987513      5.158715      5.334803
  H      -1.319445      1.097237      3.930036
  H      -1.434882      0.044748      5.352636
  H      -0.283707      2.742070      5.150825
  H      -0.218688      1.656232      6.551313
  H      -1.289917      6.344297      5.812660
  H      -0.976870      5.032263      4.669560
  H      -1.602287      4.810365      7.663736
  H      -0.103526      4.266768      6.870258
  H      -4.168306      2.646237      8.967739
  H      -3.531711      4.217836      8.455140
  H      -2.545736      1.427486      7.628987
  H      -1.637421      2.620120      8.610778
  C      -4.082558      1.060565      4.173524
  C      -5.030406     -0.110568      4.493925
  C      -6.405682      0.086248      3.825430
  C      -6.250896      0.537243      2.398477
  N      -6.286610      1.864094      2.191124
  C      -6.022649      2.302811      0.937359
  N      -5.741122      1.578286     -0.136645
  C      -5.738029      0.217404      0.041583
  C      -5.479202     -0.624826     -1.062647
  C      -5.464507     -2.005151     -0.905546
  C      -5.704799     -2.583167      0.358810
  C      -5.958176     -1.781633      1.461332
  C      -5.986439     -0.368206      1.330083
  C      -3.835122      6.236049      5.831326
  C      -3.829635      7.485773      4.940187
  C      -4.162967      7.188268      3.482080
  C      -5.576939      6.735953      3.215350
  N      -6.486557      6.881023      4.183014
  C      -7.762128      6.540127      3.889926
  N      -8.242279      6.085374      2.742788
  C      -7.335647      5.945190      1.725633
  C      -7.778336      5.501128      0.454617
  C      -6.888063      5.399551     -0.604569
  C      -5.528413      5.722123     -0.424429
  C      -5.065650      6.146670      0.814339
  C      -5.953725      6.265279      1.915052
  C      -5.962236      2.887976      7.157771
  C      -6.783117      4.163590      7.400150
  C      -8.277980      3.896324      7.552472
  C      -9.000354      3.468944      6.296941
  N      -8.336315      3.462296      5.149751
  C      -9.000569      3.058229      4.030809
  N     -10.254194      2.652573      3.947338
  C     -10.969739      2.663331      5.115071
  C     -12.325731      2.245352      5.100727
  C     -13.067533      2.245545      6.267026
  C     -12.486711      2.662862      7.486482
  C     -11.165428      3.073004      7.528042
  C     -10.378831      3.079756      6.348231
  H      -3.734069      0.983225      3.123979
  H      -4.823916      1.963791      4.165403
  H      -5.142821     -0.185753      5.585932
  H      -4.562408     -1.043744      4.141627
  H      -6.996385     -0.839017      3.900489
  H      -6.950785      0.877298      4.361476
  H      -6.041633      3.386337      0.802082
  H      -5.298292     -0.157089     -2.033593
  H      -5.268899     -2.648189     -1.766162
  H      -5.693410     -3.669469      0.468442
  H      -6.148688     -2.238618      2.434559
  H      -4.867554      5.863432      5.888495
  H      -3.545595      6.526829      6.862174
  H      -2.836985      7.965747      4.980945
  H      -4.551933      8.205955      5.353058
  H      -3.967396      8.081452      2.859719
  H      -3.458522      6.421923      3.114610
  H      -8.482367      6.665965      4.705661
  H      -8.832779      5.249071      0.340128
  H      -7.235543      5.049941     -1.580072
  H      -4.841127      5.638921     -1.270018
  H      -4.012723      6.402120      0.941255
  H      -6.092332      2.200380      8.021386
  H      -6.377602      2.387403      6.270371
  H      -6.419043      4.670504      8.308146
  H      -6.613841      4.844261      6.554636
  H      -8.443921      3.125624      8.325400
  H      -8.782478      4.797591      7.942492
  H      -8.399335      3.042772      3.115979
  H     -12.753312      1.929022      4.147931
  H     -14.112334      1.922004      6.251168
  H     -13.087107      2.659182      8.398845
  H     -10.724599      3.392359      8.473319
  N      -2.598988      3.449425      2.989968
  H      -3.042734      4.250938      2.536833
  H      -2.772868      2.654059      2.371232
  H      -1.590301      3.620882      2.961805
99
Coordinates from ORCA-job orca E -6204.872557269518
  N      -3.074753      1.367567      5.093014
  Mo     -3.634028      3.267852      5.189674
  N      -4.547424      3.127527      6.915288
  C      -3.705031      3.162474      8.115655
  C      -2.378865      2.484187      7.789023
  N      -1.842887      3.043303      6.509032
  C      -0.912193      2.110706      5.811289
  C      -1.678644      1.050301      4.976501
  C      -1.201354      4.371333      6.726483
  C      -1.554621      5.277042      5.544131
  N      -2.977351      5.147617      5.304009
  H      -1.325006      1.078839      3.924710
  H      -1.461111      0.031748      5.350774
  H      -0.293076      2.724205      5.145405
  H      -0.237645      1.638007      6.547235
  H      -1.268148      6.317706      5.779711
  H      -0.966916      4.985967      4.654816
  H      -1.621352      4.803882      7.644742
  H      -0.114324      4.249086      6.874585
  H      -4.173764      2.627248      8.962235
  H      -3.532109      4.201076      8.464667
  H      -2.553909      1.413821      7.619856
  H      -1.637711      2.602078      8.599490
  C      -4.095037      1.055922      4.154222
  C      -5.025150     -0.127666      4.480337
  C      -6.403851      0.017991      3.795017
  C      -6.261062      0.454951      2.362816
  N      -6.380363      1.778469      2.140785
  C      -6.138769      2.216209      0.886843
  N      -5.800384      1.494501     -0.175286
  C      -5.706749      0.134323      0.015767
  C      -5.375162     -0.706641     -1.077204
  C      -5.266433     -2.084652     -0.907774
  C      -5.482724     -2.661454      0.357654
  C      -5.807404     -1.861460      1.449903
  C      -5.931118     -0.450041      1.306541
  C      -3.808396      6.222493      5.828940
  C      -3.798297      7.477505      4.949081
  C      -4.171430      7.189073      3.498985
  C      -5.596922      6.759212      3.266877
  N      -6.483466      6.918308      4.251701
  C      -7.768934      6.595814      3.987059
  N      -8.281543      6.148206      2.855868
  C      -7.401362      5.995619      1.824416
  C      -7.881524      5.559833      0.570680
  C      -7.021189      5.447779     -0.504293
  C      -5.653758      5.748926     -0.355683
  C      -5.154156      6.165242      0.865631
  C      -6.011222      6.294793      1.981625
  C      -5.961838      2.894902      7.150346
  C      -6.771281      4.175228      7.397572
  C      -8.270158      3.924576      7.544172
  C      -8.989839      3.503325      6.285433
  N      -8.319226      3.486147      5.143744
  C      -8.981617      3.099201      4.022096
  N     -10.238501      2.717893      3.927670
  C     -10.960393      2.737556      5.087942
  C     -12.320958      2.351483      5.060738
  C     -13.070384      2.366723      6.218617
  C     -12.492540      2.767456      7.442225
  C     -11.166891      3.145526      7.496705
  C     -10.372052      3.137360      6.325835
  H      -3.744423      0.975948      3.106625
  H      -4.834437      1.956604      4.138381
  H      -5.150142     -0.187479      5.571465
  H      -4.529417     -1.054441      4.150498
  H      -6.965713     -0.923685      3.878697
  H      -6.979659      0.798748      4.315772
  H      -6.235977      3.299399      0.740502
  H      -5.214146     -0.239726     -2.049256
  H      -5.013897     -2.727563     -1.760027
  H      -5.396424     -3.746255      0.476586
  H      -5.975575     -2.318432      2.424228
  H      -4.842352      5.859752      5.898573
  H      -3.498704      6.500343      6.856732
  H      -2.798716      7.940487      4.969617
  H      -4.499523      8.204421      5.383014
  H      -3.978947      8.080409      2.876100
  H      -3.489654      6.415628      3.113680
  H      -8.467864      6.729926      4.816222
  H      -8.942573      5.325567      0.480405
  H      -7.397089      5.104342     -1.465689
  H      -4.988008      5.646827     -1.208507
  H      -4.094642      6.403243      0.967576
  H      -6.102066      2.202127      8.006751
  H      -6.377824      2.405387      6.256763
  H      -6.400838      4.677379      8.303882
  H      -6.594792      4.853103      6.552619
  H      -8.448462      3.158069      8.318107
  H      -8.765100      4.834153      7.927684
  H      -8.379483      3.084083      3.111014
  H     -12.746341      2.048599      4.103986
  H     -14.118797      2.069719      6.192921
  H     -13.099472      2.777285      8.347435
  H     -10.728949      3.454833      8.445540
  N      -2.633475      3.444026      2.962853
  H      -3.084057      4.254909      2.535268
  H      -2.823784      2.656684      2.336420
  H      -1.627420      3.613593      2.920756
99
Coordinates from ORCA-job orca E -6204.873178896884
  N      -3.101723      1.401584      5.076109
  Mo     -3.652018      3.293984      5.198219
  N      -4.557724      3.153482      6.925061
  C      -3.718490      3.173513      8.127301
  C      -2.395512      2.494349      7.790843
  N      -1.867685      3.057017      6.509845
  C      -0.939304      2.121716      5.811671
  C      -1.709600      1.065156      4.975062
  C      -1.221074      4.381754      6.730074
  C      -1.555565      5.281291      5.539601
  N      -2.979452      5.168134      5.291269
  H      -1.347019      1.086827      3.926126
  H      -1.507753      0.045113      5.355586
  H      -0.316147      2.733104      5.147430
  H      -0.270359      1.644124      6.550053
  H      -1.255761      6.320292      5.766425
  H      -0.970707      4.971127      4.655948
  H      -1.650337      4.820141      7.640848
  H      -0.135923      4.256225      6.891897
  H      -4.189938      2.629570      8.965492
  H      -3.543740      4.207278      8.488699
  H      -2.574889      1.425320      7.617701
  H      -1.648238      2.606335      8.596605
  C      -4.123856      1.086058      4.138745
  C      -5.047517     -0.100202      4.468833
  C      -6.421740      0.033342      3.769771
  C      -6.272404      0.449045      2.332176
  N      -6.364599      1.766798      2.091658
  C      -6.114159      2.186603      0.834431
  N      -5.793494      1.453922     -0.215505
  C      -5.729743      0.098516     -0.006122
  C      -5.425750     -0.754968     -1.085830
  C      -5.354058     -2.127732     -0.898451
  C      -5.577473     -2.686562      0.372218
  C      -5.874926     -1.873985      1.452291
  C      -5.963458     -0.467447      1.290350
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  C      -3.777859      7.509125      4.979769
  C      -4.129410      7.242004      3.518532
  C      -5.547494      6.795092      3.249999
  N      -6.462134      6.916426      4.220284
  C      -7.737224      6.571839      3.920094
  N      -8.216943      6.137318      2.765743
  C      -7.309692      6.024565      1.748449
  C      -7.754105      5.602762      0.472446
  C      -6.863877      5.523229     -0.585545
  C      -5.502122      5.845769     -0.398360
  C      -5.037358      6.249169      0.844862
  C      -5.925162      6.344656      1.945100
  C      -5.972378      2.919982      7.154338
  C      -6.784190      4.198412      7.396750
  C      -8.279923      3.933512      7.570027
  C      -9.004938      3.462961      6.326062
  N      -8.339162      3.421097      5.180891
  C      -9.003582      2.993396      4.071683
  N     -10.257135      2.588418      3.992511
  C     -10.973320      2.625277      5.156525
  C     -12.329880      2.213848      5.145082
  C     -13.073906      2.249121      6.306316
  C     -12.494532      2.694972      7.518273
  C     -11.172622      3.097623      7.558129
  C     -10.382960      3.070924      6.383148
  H      -3.770472      1.002832      3.092244
  H      -4.857316      1.986682      4.116698
  H      -5.185087     -0.144591      5.559008
  H      -4.543038     -1.027585      4.156202
  H      -6.985364     -0.904610      3.863180
  H      -6.999337      0.821766      4.274111
  H      -6.194776      3.266346      0.673258
  H      -5.259343     -0.301638     -2.062323
  H      -5.127292     -2.780531     -1.740127
  H      -5.521880     -3.767387      0.504662
  H      -6.052289     -2.317514      2.431258
  H      -4.835081      5.885905      5.905599
  H      -3.484713      6.500022      6.871184
  H      -2.778393      7.971340      5.019549
  H      -4.485324      8.228256      5.416315
  H      -3.940727      8.147766      2.917111
  H      -3.430955      6.485513      3.127206
  H      -8.457539      6.669311      4.739619
  H      -8.812312      5.353883      0.351346
  H      -7.212728      5.192404     -1.564512
  H      -4.811760      5.766127     -1.236980
  H      -3.981782      6.503808      0.976177
  H      -6.115362      2.227790      8.009933
  H      -6.385433      2.429143      6.258625
  H      -6.399505      4.720398      8.288677
  H      -6.627918      4.862909      6.533592
  H      -8.442189      3.186435      8.372275
  H      -8.780441      4.851238      7.927340
  H      -8.409156      2.970413      3.156068
  H     -12.756852      1.876962      4.196648
  H     -14.118964      1.933970      6.292400
  H     -13.097729      2.720190      8.426104
  H     -10.733876      3.442607      8.497897
  N      -2.681706      3.476237      2.949579
  H      -3.138965      4.300149      2.550543
  H      -2.888442      2.699203      2.311421
  H      -1.675680      3.643267      2.893925
99
Coordinates from ORCA-job orca E -6204.873279535414
  N      -3.126215      1.385384      5.064652
  Mo     -3.664641      3.279901      5.194853
  N      -4.551660      3.148888      6.933288
  C      -3.700853      3.161318      8.130825
  C      -2.383063      2.477971      7.779407
  N      -1.869565      3.034193      6.486211
  C      -0.951398      2.086433      5.785397
  C      -1.738681      1.026722      4.966236
  C      -1.210879      4.358785      6.691827
  C      -1.544826      5.251062      5.495203
  N      -2.975340      5.150573      5.265548
  H      -1.379015      1.029024      3.916187
  H      -1.549812      0.009103      5.360489
  H      -0.330722      2.687700      5.108734
  H      -0.278650      1.611140      6.522357
  H      -1.227470      6.289004      5.704788
  H      -0.977166      4.920009      4.608027
  H      -1.634243      4.808151      7.600404
  H      -0.125140      4.228405      6.850002
  H      -4.167980      2.615412      8.970601
  H      -3.517833      4.193609      8.495409
  H      -2.569285      1.409008      7.612915
  H      -1.623415      2.590188      8.574849
  C      -4.157727      1.066708      4.135479
  C      -5.085784     -0.110983      4.479026
  C      -6.444463      0.034803      3.762256
  C      -6.245783      0.465159      2.332923
  N      -6.293223      1.784075      2.108203
  C      -5.965545      2.212298      0.859877
  N      -5.602623      1.486297     -0.192494
  C      -5.585951      0.131122      0.003222
  C      -5.239673     -0.714902     -1.075897
  C      -5.213619     -2.088386     -0.901024
  C      -5.526463     -2.655057      0.357499
  C      -5.864447     -1.849352      1.437095
  C      -5.907969     -0.442927      1.286961
  C      -3.784851      6.229256      5.829327
  C      -3.805608      7.500632      4.965796
  C      -4.199174      7.246006      3.511705
  C      -5.615941      6.778107      3.284991
  N      -6.498870      6.895195      4.284461
  C      -7.770812      6.520814      4.033200
  N      -8.273373      6.057574      2.901150
  C      -7.398357      5.949249      1.852554
  C      -7.866180      5.494873      0.597446
  C      -7.005721      5.408060     -0.488528
  C      -5.651931      5.760343     -0.352174
  C      -5.164235      6.197931      0.868706
  C      -6.021224      6.300600      1.996877
  C      -5.969989      2.927796      7.165454
  C      -6.768702      4.214736      7.410366
  C      -8.265848      3.966626      7.575816
  C      -8.974016      3.514421      6.320053
  N      -8.289360      3.475924      5.187431
  C      -8.937403      3.068545      4.061849
  N     -10.194373      2.680604      3.957653
  C     -10.927570      2.715659      5.110254
  C     -12.286306      2.322039      5.073525
  C     -13.048040      2.353285      6.223217
  C     -12.484995      2.776776      7.449119
  C     -11.161762      3.163255      7.513677
  C     -10.354494      3.139762      6.350969
  H      -3.808011      0.971574      3.087527
  H      -4.881508      1.973091      4.110762
  H      -5.235025     -0.139329      5.568957
  H      -4.586967     -1.046023      4.179599
  H      -7.018136     -0.900921      3.832785
  H      -7.024210      0.823525      4.263362
  H      -6.006350      3.291374      0.710904
  H      -5.003354     -0.255224     -2.042500
  H      -4.954101     -2.735486     -1.742219
  H      -5.506705     -3.735930      0.480390
  H      -6.110566     -2.298303      2.407121
  H      -4.818879      5.870086      5.927064
  H      -3.440261      6.492598      6.850271
  H      -2.808880      7.973368      4.976806
  H      -4.510005      8.210253      5.426890
  H      -4.044415      8.166228      2.917245
  H      -3.502351      6.502957      3.087806
  H      -8.466373      6.616710      4.874892
  H      -8.916237      5.223031      0.515690
  H      -7.373839      5.053120     -1.451843
  H      -4.985059      5.679405     -1.214236
  H      -4.116643      6.476061      0.959585
  H      -6.123134      2.234949      8.020028
  H      -6.385975      2.443675      6.267748
  H      -6.380318      4.729101      8.304839
  H      -6.605383      4.880904      6.549700
  H      -8.443589      3.218645      8.371679
  H      -8.760488      4.888785      7.929498
  H      -8.327370      3.048978      3.155344
  H     -12.700280      2.002318      4.115982
  H     -14.094408      2.051002      6.189225
  H     -13.101579      2.797747      8.348028
  H     -10.735296      3.490225      8.462921
  N      -2.722255      3.450916      2.929760
  H      -3.183853      4.279739      2.541510
  H      -2.939134      2.678084      2.289954
  H      -1.711847      3.616071      2.859818
99
Coordinates from ORCA-job orca E -6204.874106924252
  N      -3.111274      1.391444      5.054690
  Mo     -3.650270      3.280950      5.190126
  N      -4.547655      3.155823      6.923264
  C      -3.707447      3.165235      8.128076
  C      -2.387301      2.481866      7.785612
  N      -1.867381      3.034798      6.492702
  C      -0.944416      2.086130      5.800155
  C      -1.725223      1.024928      4.978614
  C      -1.207739      4.358359      6.698342
  C      -1.525461      5.241745      5.490906
  N      -2.954804      5.149880      5.253161
  H      -1.350021      1.017288      3.933498
  H      -1.547174      0.009885      5.383481
  H      -0.319638      2.686663      5.126548
  H      -0.276518      1.613181      6.542587
  H      -1.201169      6.278877      5.692022
  H      -0.955564      4.896542      4.609796
  H      -1.642166      4.814198      7.598571
  H      -0.124693      4.225194      6.872128
  H      -4.182001      2.615635      8.961764
  H      -3.528081      4.195383      8.498420
  H      -2.571929      1.412631      7.620731
  H      -1.631090      2.595717      8.583210
  C      -4.135837      1.064329      4.122417
  C      -5.050830     -0.120652      4.471541
  C      -6.415631     -0.003855      3.761640
  C      -6.248018      0.420242      2.327748
  N      -6.369169      1.737368      2.086575
  C      -6.103440      2.160851      0.830259
  N      -5.738187      1.432367     -0.215767
  C      -5.646429      0.078507     -0.003344
  C      -5.297596     -0.770942     -1.075476
  C      -5.193585     -2.143059     -0.883096
  C      -5.431884     -2.704463      0.385644
  C      -5.774400     -1.895271      1.457732
  C      -5.895198     -0.490628      1.290054
  C      -3.759260      6.223319      5.835307
  C      -3.777430      7.503778      4.986427
  C      -4.179159      7.258633      3.534462
  C      -5.597217      6.796677      3.318596
  N      -6.470609      6.921435      4.323657
  C      -7.750147      6.564855      4.079265
  N      -8.269849      6.116802      2.948377
  C      -7.402799      6.000273      1.894293
  C      -7.888003      5.563165      0.639536
  C      -7.034984      5.466379     -0.450497
  C      -5.672276      5.793215     -0.319448
  C      -5.168635      6.217371      0.900084
  C      -6.017085      6.328526      2.032568
  C      -5.968274      2.934047      7.140856
  C      -6.775429      4.221187      7.366079
  C      -8.273090      3.972963      7.524238
  C      -8.989562      3.529099      6.270484
  N      -8.318460      3.508137      5.126974
  C      -8.981431      3.115459      4.004826
  N     -10.240053      2.724686      3.914269
  C     -10.959674      2.742559      5.078766
  C     -12.319957      2.342512      5.058802
  C     -13.067026      2.353673      6.221508
  C     -12.487998      2.763708      7.443896
  C     -11.163306      3.157614      7.491728
  C     -10.370687      3.152549      6.315838
  H      -3.779139      0.965931      3.077502
  H      -4.862096      1.968169      4.086092
  H      -5.198641     -0.143416      5.561727
  H      -4.539022     -1.051449      4.180028
  H      -6.967127     -0.952441      3.845252
  H      -7.009520      0.774843      4.263019
  H      -6.201810      3.237864      0.667803
  H      -5.120046     -0.315791     -2.050199
  H      -4.929641     -2.792673     -1.718653
  H      -5.349510     -3.784789      0.522840
  H      -5.961929     -2.339481      2.435596
  H      -4.794326      5.866595      5.931946
  H      -3.410760      6.472139      6.858546
  H      -2.778815      7.971715      4.995593
  H      -4.475666      8.213590      5.456638
  H      -4.025939      8.180966      2.943066
  H      -3.487572      6.515478      3.102420
  H      -8.437182      6.665320      4.926134
  H      -8.944614      5.310463      0.562095
  H      -7.416134      5.123927     -1.413711
  H      -5.011747      5.706423     -1.185113
  H      -4.114983      6.479000      0.986061
  H      -6.128398      2.245744      7.998717
  H      -6.372103      2.442584      6.241872
  H      -6.396292      4.742727      8.259383
  H      -6.608226      4.882380      6.503015
  H      -8.452063      3.225151      8.315941
  H      -8.767202      4.893260      7.881550
  H      -8.381799      3.103350      3.089148
  H     -12.746471      2.033150      4.104010
  H     -14.114615      2.044320      6.200492
  H     -13.092675      2.767982      8.353765
  H     -10.723939      3.472475      8.438370
  N      -2.712214      3.456276      2.918812
  H      -3.176851      4.284332      2.538589
  H      -2.926374      2.688528      2.278410
  H      -1.705983      3.627811      2.847144
99
Coordinates from ORCA-job orca E -6204.874462419101
  N      -3.135271      1.411699      5.031236
  Mo     -3.671227      3.296327      5.187292
  N      -4.549704      3.169946      6.929546
  C      -3.702378      3.169300      8.127242
  C      -2.387024      2.486569      7.768591
  N      -1.881625      3.040667      6.472119
  C      -0.965735      2.091413      5.772667
  C      -1.754652      1.028911      4.964086
  C      -1.215480      4.360057      6.676724
  C      -1.531473      5.238327      5.468196
  N      -2.962209      5.160319      5.242774
  H      -1.375798      1.003747      3.921091
  H      -1.588586      0.017378      5.382265
  H      -0.349252      2.690218      5.092176
  H      -0.290783      1.620890      6.509386
  H      -1.192750      6.272787      5.657345
  H      -0.976233      4.877363      4.585361
  H      -1.648911      4.819106      7.575366
  H      -0.134165      4.222621      6.851842
  H      -4.172222      2.610723      8.957136
  H      -3.520815      4.194915      8.507896
  H      -2.573377      1.417542      7.603573
  H      -1.620777      2.599240      8.555946
  C      -4.162486      1.078228      4.105774
  C      -5.070284     -0.109693      4.460563
  C      -6.432574     -0.019339      3.736230
  C      -6.266706      0.386100      2.296913
  N      -6.399870      1.698486      2.038676
  C      -6.133170      2.112048      0.780876
  N      -5.749588      1.378828     -0.252453
  C      -5.638059      0.028604     -0.023837
  C      -5.254171     -0.825699     -1.082200
  C      -5.124989     -2.192671     -0.873766
  C      -5.374262     -2.744473      0.397380
  C      -5.750911     -1.930742      1.456408
  C      -5.893822     -0.530602      1.272709
  C      -3.750375      6.230056      5.849724
  C      -3.756179      7.514170      5.010857
  C      -4.160643      7.267158      3.560409
  C      -5.580498      6.810235      3.340627
  N      -6.462742      6.944277      4.337554
  C      -7.746724      6.599369      4.082362
  N      -8.265558      6.159923      2.948232
  C      -7.389834      6.035677      1.902597
  C      -7.874750      5.610784      0.644377
  C      -7.014592      5.508326     -0.436918
  C      -5.644514      5.816435     -0.293211
  C      -5.141575      6.230084      0.929874
  C      -5.997073      6.346691      2.053554
  C      -5.966119      2.942064      7.158045
  C      -6.779633      4.222649      7.388658
  C      -8.276790      3.964312      7.545140
  C      -8.990062      3.507027      6.293132
  N      -8.313125      3.465409      5.154412
  C      -8.973395      3.069461      4.033594
  N     -10.232483      2.689390      3.938940
  C     -10.957686      2.724804      5.097767
  C     -12.319904      2.339666      5.071770
  C     -13.074029      2.373451      6.227215
  C     -12.500215      2.791282      7.448480
  C     -11.173436      3.170002      7.502506
  C     -10.373631      3.142344      6.333977
  H      -3.806268      0.975816      3.060934
  H      -4.886018      1.982110      4.065663
  H      -5.228318     -0.121676      5.548954
  H      -4.544612     -1.037463      4.185064
  H      -6.970227     -0.973689      3.830674
  H      -7.041312      0.758387      4.220646
  H      -6.245331      3.186906      0.606024
  H      -5.067778     -0.377670     -2.059350
  H      -4.830869     -2.846251     -1.699110
  H      -5.271413     -3.821216      0.547397
  H      -5.943924     -2.367793      2.436720
  H      -4.787133      5.882522      5.949759
  H      -3.391639      6.463739      6.872284
  H      -2.754200      7.972583      5.018973
  H      -4.445860      8.228708      5.483592
  H      -4.003963      8.186239      2.968134
  H      -3.471881      6.522160      3.130424
  H      -8.438856      6.701922      4.924558
  H      -8.938388      5.373468      0.557310
  H      -7.395112      5.175914     -1.403387
  H      -4.977886      5.723759     -1.150784
  H      -4.081497      6.479209      1.025081
  H      -6.114319      2.252884      8.016455
  H      -6.375934      2.447954      6.263076
  H      -6.403794      4.744236      8.282299
  H      -6.617326      4.886212      6.527355
  H      -8.453435      3.221260      8.341926
  H      -8.776432      4.885220      7.893650
  H      -8.371192      3.044254      3.122136
  H     -12.742707      2.024378      4.117256
  H     -14.123508      2.077086      6.201037
  H     -13.110664      2.814443      8.352096
  H     -10.738199      3.492797      8.448578
  N      -2.768634      3.485288      2.897861
  H      -3.238079      4.320927      2.539369
  H      -2.995809      2.727827      2.247427
  H      -1.763616      3.655583      2.812235
99
Coordinates from ORCA-job orca E -6204.874931898066
  N      -3.155920      1.430652      5.002002
  Mo     -3.684890      3.312981      5.180686
  N      -4.550570      3.184654      6.930423
  C      -3.697877      3.170626      8.123773
  C      -2.388231      2.483591      7.753564
  N      -1.891087      3.039695      6.454133
  C      -0.982555      2.087192      5.749292
  C      -1.782125      1.024345      4.952709
  C      -1.215296      4.354302      6.661285
  C      -1.526489      5.233581      5.453333
  N      -2.959716      5.172104      5.238158
  H      -1.394117      0.975572      3.913751
  H      -1.635778      0.016826      5.388654
  H      -0.371608      2.684088      5.061652
  H      -0.301277      1.618165      6.481384
  H      -1.170902      6.263917      5.633540
  H      -0.985528      4.858921      4.567287
  H      -1.649008      4.814633      7.558971
  H      -0.135645      4.209129      6.840444
  H      -4.167356      2.604917      8.949240
  H      -3.510097      4.191318      8.514804
  H      -2.579442      1.415533      7.587267
  H      -1.613539      2.591664      8.533135
  C      -4.184331      1.092900      4.079135
  C      -5.090484     -0.094423      4.437983
  C      -6.445289     -0.022296      3.697227
  C      -6.269388      0.362151      2.253744
  N      -6.413392      1.668324      1.974165
  C      -6.143554      2.064804      0.711830
  N      -5.745399      1.320163     -0.307606
  C      -5.619215     -0.024346     -0.056226
  C      -5.218174     -0.890466     -1.097328
  C      -5.075826     -2.251513     -0.865775
  C      -5.329169     -2.785987      0.411749
  C      -5.723522     -1.960591      1.453840
  C      -5.879672     -0.565876      1.246427
  C      -3.736157      6.236229      5.871703
  C      -3.751815      7.532877      5.051414
  C      -4.165500      7.305583      3.600026
  C      -5.578456      6.824747      3.384050
  N      -6.455313      6.934130      4.388022
  C      -7.730986      6.559025      4.140086
  N      -8.246352      6.110695      3.007539
  C      -7.376941      6.012130      1.954502
  C      -7.860029      5.577911      0.698555
  C      -7.008774      5.501874     -0.390437
  C      -5.648543      5.845895     -0.257593
  C      -5.146038      6.266819      0.964404
  C      -5.993585      6.357534      2.096399
  C      -5.967552      2.962589      7.162867
  C      -6.777573      4.246170      7.385489
  C      -8.275130      3.989463      7.543528
  C      -8.984655      3.512334      6.295044
  N      -8.299658      3.437508      5.162909
  C      -8.955848      3.022511      4.044384
  N     -10.217646      2.651880      3.946882
  C     -10.949872      2.718276      5.099618
  C     -12.314591      2.342713      5.070216
  C     -13.076914      2.409297      6.218467
  C     -12.509105      2.851253      7.436196
  C     -11.179695      3.220672      7.493683
  C     -10.371806      3.159784      6.332339
  H      -3.826008      0.985562      3.035183
  H      -4.902671      1.998753      4.034080
  H      -5.261170     -0.094661      5.524518
  H      -4.555985     -1.022421      4.179712
  H      -6.975171     -0.979797      3.799942
  H      -7.065467      0.757156      4.163457
  H      -6.268857      3.135388      0.519764
  H      -5.029869     -0.456107     -2.079874
  H      -4.768887     -2.913590     -1.677695
  H      -5.216367     -3.858193      0.580214
  H      -5.921199     -2.383937      2.439122
  H      -4.772350      5.889485      5.979614
  H      -3.364208      6.452615      6.893207
  H      -2.751532      7.995515      5.058328
  H      -4.440506      8.237939      5.539395
  H      -4.030441      8.238095      3.023799
  H      -3.467451      6.580597      3.150337
  H      -8.418624      6.640549      4.988153
  H      -8.915739      5.313073      0.620110
  H      -7.388872      5.164195     -1.355635
  H      -4.989446      5.777400     -1.122556
  H      -4.094046      6.544562      1.050662
  H      -6.115928      2.279401      8.026071
  H      -6.380954      2.463635      6.272232
  H      -6.402274      4.774473      8.276590
  H      -6.614272      4.904014      6.519039
  H      -8.455737      3.258786      8.353114
  H      -8.775234      4.916646      7.875261
  H      -8.348687      2.976636      3.137421
  H     -12.732950      2.008488      4.118401
  H     -14.128319      2.121011      6.188972
  H     -13.125866      2.900770      8.333741
  H     -10.748963      3.562658      8.436776
  N      -2.814326      3.518767      2.876496
  H      -3.289854      4.359718      2.537744
  H      -3.048639      2.771745      2.215618
  H      -1.811168      3.692138      2.778861
99
Coordinates from ORCA-job orca E -6204.875603671295
  N      -3.176630      1.448425      4.965125
  Mo     -3.700103      3.329616      5.174295
  N      -4.543260      3.192472      6.938735
  C      -3.677456      3.160836      8.121695
  C      -2.377134      2.467428      7.732356
  N      -1.893030      3.030800      6.429718
  C      -0.995945      2.077090      5.711642
  C      -1.812530      1.012443      4.935103
  C      -1.205993      4.340199      6.644329
  C      -1.523500      5.231199      5.446640
  N      -2.960712      5.185130      5.251122
  H      -1.417365      0.930359      3.900710
  H      -1.689833      0.011727      5.395179
  H      -0.397886      2.674183      5.010720
  H      -0.299583      1.611163      6.432381
  H      -1.150165      6.256261      5.620324
  H      -1.003728      4.848845      4.549960
  H      -1.634380      4.794899      7.547582
  H      -0.127127      4.184866      6.819657
  H      -4.142811      2.586257      8.944524
  H      -3.478491      4.175422      8.524359
  H      -2.575486      1.401119      7.562644
  H      -1.589868      2.567455      8.500607
  C      -4.208331      1.103532      4.047775
  C      -5.114916     -0.080307      4.414865
  C      -6.461564     -0.018878      3.664215
  C      -6.271453      0.347835      2.217830
  N      -6.426963      1.647235      1.913458
  C      -6.151593      2.022047      0.643745
  N      -5.735763      1.261528     -0.360009
  C      -5.595271     -0.075249     -0.080669
  C      -5.175751     -0.956625     -1.100423
  C      -5.022500     -2.310826     -0.839747
  C      -5.284368     -2.823934      0.446074
  C      -5.697306     -1.983281      1.466622
  C      -5.863776     -0.594731      1.229559
  C      -3.730891      6.248190      5.897503
  C      -3.761498      7.553893      5.087238
  C      -4.181851      7.343638      3.634602
  C      -5.590132      6.848620      3.423595
  N      -6.464380      6.964077      4.431022
  C      -7.737291      6.571091      4.196366
  N      -8.251229      6.098122      3.073708
  C      -7.384331      5.995744      2.014494
  C      -7.866276      5.534310      0.768157
  C      -7.020753      5.456891     -0.328099
  C      -5.668071      5.828305     -0.213285
  C      -5.164225      6.271619      1.001253
  C      -6.005594      6.362845      2.140934
  C      -5.959291      2.971936      7.181815
  C      -6.769309      4.255756      7.400197
  C      -8.267010      3.997925      7.547423
  C      -8.965504      3.527544      6.292500
  N      -8.266654      3.445336      5.169348
  C      -8.912327      3.033162      4.042837
  N     -10.176955      2.672261      3.932043
  C     -10.922796      2.746613      5.077132
  C     -12.290085      2.377257      5.034320
  C     -13.065974      2.447998      6.174630
  C     -12.509958      2.888553      7.397669
  C     -11.178084      3.252728      7.467921
  C     -10.357017      3.186851      6.314972
  H      -3.850919      0.989832      3.002908
  H      -4.919529      2.011393      4.001897
  H      -5.291931     -0.070890      5.500728
  H      -4.578618     -1.011517      4.169349
  H      -6.985430     -0.980004      3.772820
  H      -7.090454      0.761338      4.116544
  H      -6.289265      3.086951      0.430703
  H      -4.982884     -0.539320     -2.089989
  H      -4.701660     -2.983603     -1.634899
  H      -5.163967     -3.890966      0.638021
  H      -5.904293     -2.389419      2.458223
  H      -4.766221      5.899259      6.011023
  H      -3.349734      6.455004      6.917751
  H      -2.763572      8.023083      5.093148
  H      -4.451318      8.251316      5.585374
  H      -4.062176      8.286963      3.070134
  H      -3.478145      6.633559      3.170041
  H      -8.424043      6.661135      5.046165
  H      -8.916230      5.250511      0.703600
  H      -7.401542      5.102079     -1.287193
  H      -5.017195      5.771210     -1.088715
  H      -4.118775      6.571615      1.072884
  H      -6.101906      2.294771      8.050972
  H      -6.379204      2.467210      6.298593
  H      -6.404008      4.782054      8.297187
  H      -6.599542      4.917629      6.537835
  H      -8.454864      3.265681      8.352733
  H      -8.771349      4.923012      7.878064
  H      -8.292531      2.979468      3.142726
  H     -12.699243      2.043559      4.079231
  H     -14.119313      2.163354      6.133983
  H     -13.136718      2.940897      8.289210
  H     -10.756043      3.592224      8.414773
  N      -2.872854      3.565816      2.861093
  H      -3.354468      4.411210      2.541918
  H      -3.111328      2.832902      2.186016
  H      -1.871715      3.745092      2.751273
99
Coordinates from ORCA-job orca E -6204.876201240547
  N      -3.190363      1.475435      4.923277
  Mo     -3.711962      3.349778      5.169211
  N      -4.532422      3.196480      6.945735
  C      -3.655338      3.149248      8.118405
  C      -2.363414      2.453852      7.708174
  N      -1.892900      3.029171      6.405729
  C      -1.006002      2.080700      5.669398
  C      -1.835042      1.015493      4.908952
  C      -1.199254      4.334095      6.629404
  C      -1.526575      5.239209      5.445083
  N      -2.965573      5.202392      5.265154
  H      -1.435900      0.907838      3.878676
  H      -1.731276      0.020950      5.387139
  H      -0.424581      2.681847      4.957691
  H      -0.293238      1.616386      6.375049
  H      -1.144076      6.260301      5.620729
  H      -1.021998      4.859404      4.538278
  H      -1.620510      4.780027      7.540417
  H      -0.120698      4.171889      6.796616
  H      -4.114473      2.566825      8.939153
  H      -3.447423      4.157781      8.531074
  H      -2.567444      1.389847      7.531341
  H      -1.565580      2.543934      8.466628
  C      -4.225642      1.122245      4.011128
  C      -5.124870     -0.064473      4.384535
  C      -6.467582     -0.023117      3.626504
  C      -6.277117      0.317799      2.174148
  N      -6.451266      1.607012      1.839765
  C      -6.183267      1.956641      0.561645
  N      -5.751480      1.180354     -0.422965
  C      -5.586210     -0.145868     -0.111453
  C      -5.141493     -1.042106     -1.107735
  C      -4.964170     -2.386638     -0.814703
  C      -5.228020     -2.876124      0.480103
  C      -5.665214     -2.020625      1.477642
  C      -5.852873     -0.640410      1.208286
  C      -3.728618      6.256934      5.932112
  C      -3.768934      7.571479      5.136806
  C      -4.195813      7.374712      3.683719
  C      -5.598071      6.861137      3.477183
  N      -6.468997      6.967786      4.488014
  C      -7.736290      6.555003      4.259622
  N      -8.246299      6.065011      3.141699
  C      -7.383446      5.971731      2.078857
  C      -7.863237      5.492915      0.837576
  C      -7.023967      5.429894     -0.264805
  C      -5.680301      5.832735     -0.161003
  C      -5.177406      6.290237      1.050514
  C      -6.012028      6.365900      2.196626
  C      -5.946424      2.972859      7.199166
  C      -6.759340      4.256878      7.406132
  C      -8.258961      4.001984      7.541637
  C      -8.952086      3.531439      6.283771
  N      -8.244859      3.429361      5.167191
  C      -8.886724      3.016766      4.038344
  N     -10.155693      2.675151      3.919692
  C     -10.910893      2.773510      5.057257
  C     -12.283600      2.428681      5.004582
  C     -13.069239      2.523800      6.136976
  C     -12.517572      2.965180      7.361205
  C     -11.180275      3.305754      7.440789
  C     -10.349536      3.215034      6.296194
  H      -3.871694      1.008587      2.964678
  H      -4.932959      2.027367      3.967444
  H      -5.307302     -0.047456      5.469557
  H      -4.580544     -0.994554      4.151740
  H      -6.983269     -0.987159      3.749187
  H      -7.105278      0.758389      4.063072
  H      -6.340848      3.013689      0.324052
  H      -4.948625     -0.643480     -2.105022
  H      -4.622220     -3.070508     -1.591849
  H      -5.089369     -3.936123      0.697482
  H      -5.873274     -2.408404      2.476036
  H      -4.762834      5.905213      6.049665
  H      -3.338846      6.451622      6.951593
  H      -2.773129      8.045698      5.142562
  H      -4.458938      8.260773      5.646017
  H      -4.093651      8.326964      3.130314
  H      -3.484287      6.681310      3.205595
  H      -8.421192      6.640886      5.111031
  H      -8.906964      5.186374      0.781602
  H      -7.403734      5.064277     -1.221147
  H      -5.037480      5.793426     -1.043965
  H      -4.139210      6.615523      1.113375
  H      -6.082160      2.304549      8.076223
  H      -6.370436      2.457839      6.324032
  H      -6.403321      4.786842      8.305150
  H      -6.581202      4.916766      6.543901
  H      -8.455416      3.272734      8.347603
  H      -8.763605      4.928522      7.867506
  H      -8.258937      2.941316      3.144597
  H     -12.689146      2.093983      4.048634
  H     -14.126705      2.258395      6.088451
  H     -13.151797      3.037165      8.246456
  H     -10.761702      3.646425      8.388548
  N      -2.935258      3.624297      2.845925
  H      -3.427338      4.472921      2.550567
  H      -3.179493      2.905638      2.158254
  H      -1.937024      3.812970      2.722190
99
Coordinates from ORCA-job orca E -6204.876940305477
  N      -3.192842      1.500109      4.885277
  Mo     -3.714384      3.363988      5.166918
  N      -4.518118      3.192328      6.953288
  C      -3.632942      3.132729      8.117404
  C      -2.348531      2.435187      7.689829
  N      -1.886053      3.024649      6.391001
  C      -1.008211      2.085016      5.635188
  C      -1.845442      1.018229      4.890760
  C      -1.189188      4.326541      6.623799
  C      -1.529184      5.249872      5.455322
  N      -2.968382      5.215398      5.286205
  H      -1.442917      0.885685      3.865165
  H      -1.759576      0.031468      5.387891
  H      -0.446020      2.691062      4.912380
  H      -0.278217      1.622794      6.324273
  H      -1.146857      6.268860      5.643255
  H      -1.030809      4.884193      4.538988
  H      -1.600019      4.761873      7.545113
  H      -0.109572      4.158898      6.776622
  H      -4.086221      2.548492      8.939740
  H      -3.415369      4.137219      8.533923
  H      -2.558978      1.373983      7.503750
  H      -1.544757      2.512740      8.443259
  C      -4.229118      1.132505      3.977136
  C      -5.115900     -0.060421      4.358432
  C      -6.458171     -0.034889      3.600541
  C      -6.271253      0.294343      2.144029
  N      -6.465439      1.575056      1.789294
  C      -6.211149      1.908059      0.503450
  N      -5.765733      1.123584     -0.467767
  C      -5.572847     -0.193179     -0.133984
  C      -5.106216     -1.096011     -1.114876
  C      -4.903414     -2.432890     -0.799898
  C      -5.163638     -2.909120      0.500753
  C      -5.621444     -2.046887      1.483086
  C      -5.832139     -0.672751      1.192707
  C      -3.725798      6.266893      5.958427
  C      -3.769811      7.580127      5.163338
  C      -4.205069      7.384283      3.712159
  C      -5.607260      6.864391      3.519655
  N      -6.470496      6.978822      4.536012
  C      -7.738017      6.562086      4.320757
  N      -8.253546      6.051839      3.213636
  C      -7.400031      5.949002      2.146848
  C      -7.887981      5.448392      0.917226
  C      -7.059076      5.385406     -0.193961
  C      -5.719315      5.807480     -0.108260
  C      -5.208581      6.282961      1.093546
  C      -6.030681      6.356947      2.247885
  C      -5.930432      2.960573      7.214244
  C      -6.749402      4.244745      7.402189
  C      -8.252026      3.996646      7.526488
  C      -8.943850      3.527941      6.266765
  N      -8.231665      3.405124      5.155138
  C      -8.874508      2.997306      4.025681
  N     -10.149471      2.682804      3.900792
  C     -10.911846      2.808038      5.031331
  C     -12.292232      2.499268      4.969624
  C     -13.084734      2.622672      6.095270
  C     -12.531391      3.057456      7.320119
  C     -11.186312      3.363105      7.408014
  C     -10.348566      3.243562      6.270839
  H      -3.878916      1.020376      2.929985
  H      -4.935820      2.029620      3.934997
  H      -5.297347     -0.038856      5.443667
  H      -4.566095     -0.989038      4.133238
  H      -6.968974     -1.001414      3.729993
  H      -7.101705      0.744415      4.032867
  H      -6.389629      2.958197      0.248558
  H      -4.917959     -0.708132     -2.117247
  H      -4.543427     -3.122185     -1.565258
  H      -5.006046     -3.964067      0.734639
  H      -5.825650     -2.425036      2.485404
  H      -4.759544      5.914892      6.081484
  H      -3.329807      6.463072      6.975311
  H      -2.774114      8.054482      5.166043
  H      -4.457515      8.269284      5.675775
  H      -4.113699      8.338342      3.159851
  H      -3.491302      6.698309      3.226920
  H      -8.416340      6.658281      5.175134
  H      -8.929831      5.128893      0.875376
  H      -7.444820      5.006055     -1.142791
  H      -5.087927      5.772051     -0.999305
  H      -4.173610      6.624108      1.142237
  H      -6.059749      2.305848      8.101863
  H      -6.355129      2.429109      6.348411
  H      -6.401093      4.783505      8.299636
  H      -6.561980      4.897846      6.536252
  H      -8.457374      3.269806      8.333396
  H      -8.753319      4.925803      7.849908
  H      -8.242174      2.900678      3.136403
  H     -12.698295      2.169421      4.012666
  H     -14.148189      2.385609      6.040425
  H     -13.170988      3.152412      8.199918
  H     -10.767180      3.699753      8.356717
  N      -2.992448      3.680563      2.841591
  H      -3.492532      4.530625      2.566699
  H      -3.243472      2.973775      2.144920
  H      -1.997894      3.879229      2.707427
99
Coordinates from ORCA-job orca E -6204.877706599175
  N      -3.204593      1.531380      4.847159
  Mo     -3.721726      3.385930      5.163316
  N      -4.510728      3.197082      6.957871
  C      -3.617458      3.123844      8.113728
  C      -2.340271      2.423915      7.667939
  N      -1.884810      3.026197      6.372974
  C      -1.018053      2.092998      5.598717
  C      -1.865017      1.026819      4.869910
  C      -1.181120      4.323069      6.611915
  C      -1.529844      5.263129      5.458344
  N      -2.969572      5.233419      5.303499
  H      -1.460827      0.871077      3.848602
  H      -1.797398      0.047566      5.384704
  H      -0.473391      2.702485      4.865841
  H      -0.273399      1.630703      6.272147
  H      -1.145903      6.279169      5.661109
  H      -1.037501      4.912671      4.533286
  H      -1.578649      4.749792      7.543157
  H      -0.099652      4.149228      6.747432
  H      -4.065388      2.538757      8.937800
  H      -3.389005      4.124667      8.533893
  H      -2.558688      1.365810      7.471896
  H      -1.530850      2.487773      8.416741
  C      -4.242770      1.150334      3.944969
  C      -5.114660     -0.049948      4.335959
  C      -6.459211     -0.047106      3.579113
  C      -6.283061      0.259366      2.116034
  N      -6.505290      1.527378      1.736590
  C      -6.271049      1.838308      0.441810
  N      -5.813194      1.044182     -0.514529
  C      -5.586578     -0.260219     -0.154503
  C      -5.101227     -1.171675     -1.119146
  C      -4.869039     -2.497347     -0.779064
  C      -5.117800     -2.954454      0.530000
  C      -5.592167     -2.083187      1.496932
  C      -5.830836     -0.718902      1.181933
  C      -3.714633      6.281740      5.989300
  C      -3.758636      7.598217      5.201529
  C      -4.201050      7.412942      3.750601
  C      -5.602004      6.886128      3.560084
  N      -6.467052      6.996686      4.576353
  C      -7.731746      6.571845      4.361621
  N      -8.242626      6.048442      3.257634
  C      -7.388862      5.947547      2.193262
  C      -7.872600      5.430862      0.968680
  C      -7.044569      5.376890     -0.143932
  C      -5.710597      5.822629     -0.063526
  C      -5.203468      6.311099      1.134408
  C      -6.023525      6.374390      2.290574
  C      -5.921336      2.956806      7.224642
  C      -6.746454      4.238258      7.402016
  C      -8.249763      3.991273      7.520268
  C      -8.936674      3.520595      6.258882
  N      -8.217019      3.378969      5.154926
  C      -8.856707      2.971029      4.024788
  N     -10.134317      2.671186      3.891487
  C     -10.905554      2.816159      5.013137
  C     -12.290233      2.525678      4.941788
  C     -13.090694      2.669065      6.059142
  C     -12.540226      3.105903      7.284145
  C     -11.190928      3.393692      7.381199
  C     -10.345173      3.253950      6.252967
  H      -3.896142      1.038373      2.897460
  H      -4.951273      2.040870      3.904108
  H      -5.295761     -0.021169      5.420964
  H      -4.555569     -0.975054      4.120410
  H      -6.964321     -1.014184      3.723078
  H      -7.108139      0.732471      4.002746
  H      -6.478105      2.878575      0.166851
  H      -4.923812     -0.798643     -2.128729
  H      -4.495125     -3.194196     -1.531738
  H      -4.938678     -4.001706      0.782541
  H      -5.786089     -2.447941      2.505667
  H      -4.748304      5.933598      6.121740
  H      -3.307923      6.473959      7.002812
  H      -2.762409      8.070611      5.203505
  H      -4.442967      8.284648      5.721801
  H      -4.118493      8.372820      3.208219
  H      -3.484479      6.738729      3.254562
  H      -8.411368      6.669316      5.214506
  H      -8.910776      5.094398      0.930446
  H      -7.427392      4.988035     -1.089492
  H      -5.082575      5.795215     -0.956608
  H      -4.173348      6.671343      1.179078
  H      -6.044370      2.311435      8.118855
  H      -6.346357      2.412987      6.365830
  H      -6.401196      4.783222      8.296130
  H      -6.556492      4.886325      6.533256
  H      -8.458417      3.265259      8.327513
  H      -8.750964      4.921169      7.841352
  H      -8.219183      2.860311      3.141423
  H     -12.693257      2.193655      3.984190
  H     -14.157763      2.446025      5.997905
  H     -13.186027      3.216260      8.157327
  H     -10.774761      3.731539      8.330788
  N      -3.056926      3.739811      2.837389
  H      -3.563883      4.590147      2.580868
  H      -3.317208      3.040848      2.136080
  H      -2.066018      3.946962      2.692236
99
Coordinates from ORCA-job orca E -6204.878489672880
  N      -3.210717      1.558968      4.809168
  Mo     -3.728233      3.403452      5.159102
  N      -4.505205      3.195933      6.958692
  C      -3.604393      3.112737      8.107594
  C      -2.331474      2.415622      7.645811
  N      -1.883733      3.030839      6.355294
  C      -1.024509      2.105931      5.564701
  C      -1.876254      1.038661      4.848496
  C      -1.176513      4.323609      6.599594
  C      -1.533027      5.277049      5.459168
  N      -2.973227      5.248040      5.317636
  H      -1.469056      0.862869      3.831916
  H      -1.823125      0.067211      5.379619
  H      -0.497299      2.720756      4.824157
  H      -0.266599      1.645314      6.224499
  H      -1.150465      6.290550      5.678741
  H      -1.043126      4.943947      4.526900
  H      -1.562001      4.741159      7.539669
  H      -0.093046      4.147932      6.717839
  H      -4.045814      2.526229      8.933374
  H      -3.368695      4.110847      8.530687
  H      -2.554127      1.360455      7.439068
  H      -1.518013      2.468753      8.391229
  C      -4.250340      1.161648      3.915416
  C      -5.098209     -0.051185      4.317937
  C      -6.447872     -0.074633      3.569370
  C      -6.288132      0.217896      2.101197
  N      -6.540046      1.474761      1.706226
  C      -6.325193      1.771434      0.404302
  N      -5.857972      0.974124     -0.543786
  C      -5.599587     -0.319868     -0.167258
  C      -5.101679     -1.234011     -1.123347
  C      -4.840805     -2.549968     -0.767809
  C      -5.072736     -2.994599      0.548039
  C      -5.557166     -2.119680      1.507214
  C      -5.824125     -0.764895      1.176816
  C      -3.706453      6.294261      6.018584
  C      -3.751625      7.615453      5.238788
  C      -4.199454      7.439328      3.788694
  C      -5.597655      6.904138      3.600512
  N      -6.464334      7.014106      4.616988
  C      -7.726611      6.582474      4.404835
  N      -8.234171      6.046214      3.304950
  C      -7.379328      5.943397      2.242183
  C      -7.858898      5.410771      1.022963
  C      -7.031745      5.360519     -0.090373
  C      -5.703337      5.827095     -0.016847
  C      -5.198851      6.328816      1.175951
  C      -6.017101      6.386068      2.334103
  C      -5.914221      2.947449      7.228326
  C      -6.744495      4.227100      7.392643
  C      -8.247750      3.981790      7.508197
  C      -8.932268      3.510717      6.245737
  N      -8.208158      3.350174      5.147036
  C      -8.848580      2.948243      4.015470
  N     -10.129925      2.669467      3.874980
  C     -10.905732      2.833136      4.990725
  C     -12.295194      2.568859      4.911233
  C     -13.100048      2.733897      6.022201
  C     -12.548544      3.166061      7.248587
  C     -11.194727      3.428276      7.353707
  C     -10.344522      3.266935      6.231919
  H      -3.907046      1.051045      2.866432
  H      -4.968948      2.043124      3.876047
  H      -5.274600     -0.017296      5.403551
  H      -4.525812     -0.969108      4.106631
  H      -6.942778     -1.045227      3.725116
  H      -7.103230      0.700873      3.991262
  H      -6.559567      2.802476      0.116536
  H      -4.938559     -0.870259     -2.138545
  H      -4.458272     -3.250147     -1.513302
  H      -4.872373     -4.035193      0.811780
  H      -5.736685     -2.476117      2.521570
  H      -4.739777      5.950460      6.163185
  H      -3.287459      6.482352      7.028113
  H      -2.755025      8.086477      5.239753
  H      -4.433488      8.298639      5.766696
  H      -4.125820      8.404767      3.255668
  H      -3.480080      6.776054      3.282640
  H      -8.408062      6.685211      5.256118
  H      -8.893209      5.060314      0.988624
  H      -7.412759      4.962013     -1.032132
  H      -5.078917      5.804765     -0.911907
  H      -4.174294      6.706553      1.215131
  H      -6.032647      2.311974      8.129885
  H      -6.336930      2.390416      6.376230
  H      -6.399477      4.780321      8.281146
  H      -6.553660      4.867612      6.518348
  H      -8.458770      3.256684      8.315678
  H      -8.747068      4.913044      7.827692
  H      -8.209310      2.825390      3.135292
  H     -12.698529      2.240121      3.952288
  H     -14.170911      2.531984      5.955324
  H     -13.198080      3.293309      8.116490
  H     -10.778346      3.762854      8.304680
  N      -3.124240      3.795563      2.832054
  H      -3.642160      4.645305      2.591254
  H      -3.392552      3.100088      2.130429
  H      -2.137363      4.013143      2.674003
99
Coordinates from ORCA-job orca E -6204.879326959338
  N      -3.221543      1.584599      4.774976
  Mo     -3.735602      3.422042      5.156295
  N      -4.502742      3.199071      6.958945
  C      -3.594578      3.108341      8.101736
  C      -2.325836      2.412324      7.626735
  N      -1.885101      3.036684      6.339024
  C      -1.034415      2.115376      5.534678
  C      -1.892936      1.047612      4.831403
  C      -1.170954      4.324145      6.585727
  C      -1.532509      5.288952      5.456174
  N      -2.974068      5.262993      5.328233
  H      -1.481801      0.849813      3.820724
  H      -1.856146      0.084813      5.379968
  H      -0.522649      2.733967      4.786728
  H      -0.265292      1.656199      6.182654
  H      -1.148490      6.299080      5.690156
  H      -1.046199      4.970306      4.517439
  H      -1.543395      4.735212      7.533425
  H      -0.085870      4.145355      6.687278
  H      -4.030870      2.521199      8.929701
  H      -3.352004      4.104772      8.526243
  H      -2.553440      1.359790      7.411325
  H      -1.508525      2.456463      8.368691
  C      -4.264841      1.172780      3.892154
  C      -5.089271     -0.051839      4.305478
  C      -6.442872     -0.097416      3.565252
  C      -6.295234      0.183481      2.093291
  N      -6.568400      1.430984      1.686701
  C      -6.365523      1.716192      0.379086
  N      -5.892656      0.916299     -0.563496
  C      -5.613364     -0.369709     -0.174718
  C      -5.109490     -1.286754     -1.124970
  C      -4.828685     -2.594687     -0.757705
  C      -5.046057     -3.027578      0.564613
  C      -5.535030     -2.148622      1.518613
  C      -5.822612     -0.802644      1.175832
  C      -3.692882      6.310877      6.044419
  C      -3.738858      7.637139      5.270905
  C      -4.191685      7.469376      3.821738
  C      -5.586482      6.926752      3.633928
  N      -6.454615      7.036949      4.650643
  C      -7.714056      6.598008      4.441284
  N      -8.217986      6.049285      3.345485
  C      -7.361471      5.943963      2.283387
  C      -7.835414      5.396035      1.068750
  C      -7.008844      5.346467     -0.044735
  C      -5.686944      5.832305      0.021618
  C      -5.185957      6.347761      1.209663
  C      -6.002792      6.401159      2.370033
  C      -5.909947      2.943016      7.230549
  C      -6.746014      4.219792      7.381457
  C      -8.247853      3.971107      7.497642
  C      -8.928825      3.497933      6.234437
  N      -8.199419      3.322008      5.141413
  C      -8.838662      2.924816      4.007423
  N     -10.122568      2.662083      3.859133
  C     -10.902611      2.838101      4.969765
  C     -12.294867      2.590526      4.882469
  C     -13.104122      2.768780      5.987652
  C     -12.554120      3.197070      7.216483
  C     -11.197914      3.443517      7.329453
  C     -10.343257      3.269097      6.213068
  H      -3.924996      1.062196      2.841129
  H      -4.995895      2.043926      3.853808
  H      -5.261239     -0.013139      5.391703
  H      -4.504447     -0.962201      4.095970
  H      -6.929240     -1.070521      3.731002
  H      -7.102272      0.675520      3.985562
  H      -6.616241      2.739921      0.081788
  H      -4.957918     -0.931428     -2.145133
  H      -4.442264     -3.298258     -1.497879
  H      -4.830182     -4.062427      0.837133
  H      -5.702121     -2.496613      2.538522
  H      -4.725996      5.973868      6.203914
  H      -3.259290      6.493894      7.048908
  H      -2.741115      8.105430      5.269666
  H      -4.417068      8.318643      5.805705
  H      -4.125378      8.440061      3.297052
  H      -3.470487      6.814765      3.307197
  H      -8.397785      6.705636      5.290839
  H      -8.865163      5.033321      1.037765
  H      -7.387673      4.937874     -0.983079
  H      -5.065420      5.814029     -0.875549
  H      -4.167928      6.742311      1.243036
  H      -6.023611      2.317740      8.139891
  H      -6.329087      2.371951      6.385887
  H      -6.400695      4.782604      8.263280
  H      -6.557153      4.851797      6.500588
  H      -8.457692      3.246088      8.305208
  H      -8.748331      4.902055      7.815437
  H      -8.197454      2.792485      3.130477
  H     -12.696799      2.264267      3.922032
  H     -14.177238      2.580166      5.915038
  H     -13.207442      3.334017      8.079710
  H     -10.782997      3.774675      8.282185
  N      -3.195913      3.847245      2.826154
  H      -3.725505      4.693511      2.595176
  H      -3.472239      3.149217      2.130056
  H      -2.213604      4.074074      2.652494
99
Coordinates from ORCA-job orca E -6204.882478338419
  N      -3.231040      1.603422      4.747260
  Mo     -3.740943      3.437583      5.156201
  N      -4.502041      3.202837      6.959906
  C      -3.587632      3.108698      8.099546
  C      -2.320926      2.413695      7.616984
  N      -1.885950      3.042838      6.329158
  C      -1.042441      2.119731      5.515650
  C      -1.907873      1.051144      4.823784
  C      -1.163151      4.325283      6.575175
  C      -1.526694      5.298475      5.452773
  N      -2.970964      5.276055      5.336004
  H      -1.489675      0.829945      3.821071
  H      -1.888545      0.098074      5.390844
  H      -0.542620      2.740429      4.761147
  H      -0.265455      1.662793      6.156019
  H      -1.139810      6.305125      5.697857
  H      -1.043658      4.990694      4.508983
  H      -1.523783      4.732613      7.528515
  H      -0.077041      4.143215      6.662955
  H      -4.020631      2.521640      8.929669
  H      -3.340923      4.104839      8.523579
  H      -2.551784      1.362903      7.396030
  H      -1.500986      2.453074      8.356323
  C      -4.278885      1.174389      3.877540
  C      -5.077749     -0.063202      4.301121
  C      -6.434576     -0.129710      3.569745
  C      -6.297500      0.146337      2.095519
  N      -6.589051      1.387492      1.684786
  C      -6.397226      1.668070      0.372896
  N      -5.924390      0.868780     -0.570550
  C      -5.628490     -0.412540     -0.177286
  C      -5.127181     -1.330088     -1.128103
  C      -4.830618     -2.632742     -0.756718
  C      -5.028880     -3.058239      0.571664
  C      -5.514582     -2.177588      1.526653
  C      -5.819748     -0.838902      1.178367
  C      -3.674702      6.330151      6.065570
  C      -3.721941      7.660764      5.295063
  C      -4.182455      7.501078      3.847705
  C      -5.575040      6.956095      3.659838
  N      -6.442435      7.066378      4.678392
  C      -7.699533      6.620755      4.473394
  N      -8.201804      6.061894      3.381870
  C      -7.345198      5.955389      2.317831
  C      -7.814032      5.394310      1.107351
  C      -6.990147      5.344395     -0.007381
  C      -5.675622      5.847488      0.049648
  C      -5.176891      6.375393      1.233185
  C      -5.990527      6.425465      2.397505
  C      -5.908275      2.941223      7.232033
  C      -6.749194      4.215565      7.366976
  C      -8.248902      3.961561      7.484956
  C      -8.925779      3.486782      6.220578
  N      -8.191154      3.301278      5.132306
  C      -8.828625      2.910616      3.994311
  N     -10.114497      2.660680      3.838049
  C     -10.897288      2.840966      4.945793
  C     -12.290959      2.603402      4.851609
  C     -13.103795      2.786265      5.952709
  C     -12.556540      3.208900      7.185586
  C     -11.199498      3.446273      7.305625
  C     -10.341246      3.267185      6.192527
  H      -3.941374      1.062078      2.824535
  H      -5.028736      2.031355      3.837466
  H      -5.245350     -0.020841      5.388088
  H      -4.479067     -0.964163      4.090483
  H      -6.910687     -1.106613      3.742550
  H      -7.097988      0.639382      3.990805
  H      -6.660802      2.687187      0.072136
  H      -4.990071     -0.979832     -2.152498
  H      -4.447243     -3.337671     -1.496408
  H      -4.800152     -4.088847      0.847452
  H      -5.666695     -2.519691      2.551900
  H      -4.707532      6.001601      6.242383
  H      -3.224891      6.508325      7.063830
  H      -2.721884      8.124116      5.288243
  H      -4.393672      8.343119      5.836887
  H      -4.119972      8.476504      3.330262
  H      -3.463212      6.850633      3.325048
  H      -8.384657      6.732101      5.322226
  H      -8.838694      5.021298      1.080464
  H      -7.368089      4.926741     -0.942319
  H      -5.057982      5.833548     -0.850769
  H      -4.165840      6.785067      1.259476
  H      -6.018518      2.327452      8.150056
  H      -6.322331      2.354847      6.395719
  H      -6.404062      4.788962      8.241558
  H      -6.562170      4.837517      6.478862
  H      -8.456429      3.236208      8.292245
  H      -8.752345      4.891304      7.800895
  H      -8.186062      2.773582      3.119465
  H     -12.690999      2.281112      3.888985
  H     -14.177917      2.605581      5.874562
  H     -13.213108      3.348778      8.045511
  H     -10.786502      3.772402      8.260845
  N      -3.272060      3.891279      2.817267
  H      -3.813645      4.732252      2.589906
  H      -3.557818      3.183884      2.133477
  H      -2.294967      4.124246      2.623436
99
Coordinates from ORCA-job orca E -6204.882552613218
  N      -3.249001      1.638642      4.707031
  Mo     -3.754630      3.458374      5.149368
  N      -4.493547      3.206877      6.962593
  C      -3.569224      3.096479      8.089665
  C      -2.312994      2.400502      7.582597
  N      -1.890236      3.043966      6.299799
  C      -1.059975      2.132521      5.465202
  C      -1.935819      1.065094      4.791179
  C      -1.162721      4.321448      6.552574
  C      -1.536541      5.307984      5.445229
  N      -2.979651      5.291018      5.346119
  H      -1.522538      0.825250      3.791000
  H      -1.930632      0.119318      5.370406
  H      -0.581653      2.758214      4.701788
  H      -0.265949      1.675399      6.084247
  H      -1.144915      6.311003      5.698839
  H      -1.064302      5.009822      4.493289
  H      -1.511947      4.719489      7.514109
  H      -0.076123      4.135192      6.624977
  H      -3.994192      2.505196      8.920112
  H      -3.310467      4.086850      8.520278
  H      -2.552764      1.353618      7.352137
  H      -1.483986      2.425337      8.312614
  C      -4.298067      1.202624      3.840210
  C      -5.083295     -0.039859      4.271969
  C      -6.439624     -0.128963      3.540517
  C      -6.309556      0.125448      2.061815
  N      -6.625841      1.351957      1.628735
  C      -6.444502      1.611549      0.311458
  N      -5.951236      0.806774     -0.615242
  C      -5.625356     -0.459195     -0.198289
  C      -5.095900     -1.380009     -1.131115
  C      -4.770884     -2.668777     -0.736437
  C      -4.968626     -3.078502      0.596074
  C      -5.480535     -2.194169      1.533615
  C      -5.812272     -0.867140      1.163118
  C      -3.672837      6.334034      6.094234
  C      -3.724595      7.669877      5.336465
  C      -4.189697      7.514889      3.890132
  C      -5.577342      6.952657      3.709475
  N      -6.447839      7.067264      4.726035
  C      -7.701099      6.610043      4.524959
  N      -8.196856      6.029710      3.440951
  C      -7.338173      5.916043      2.381110
  C      -7.801682      5.331009      1.179884
  C      -6.975830      5.278526      0.065676
  C      -5.666550      5.801606      0.115928
  C      -5.173573      6.351598      1.291168
  C      -5.987511      6.403779      2.454668
  C      -5.897394      2.940356      7.242432
  C      -6.741591      4.213775      7.368992
  C      -8.242861      3.964337      7.480504
  C      -8.916203      3.486167      6.215416
  N      -8.176083      3.274627      5.135728
  C      -8.810837      2.881688      3.997944
  N     -10.098890      2.652037      3.833407
  C     -10.889558      2.861794      4.930340
  C     -12.286885      2.651661      4.825218
  C     -13.106435      2.865367      5.915994
  C     -12.561187      3.291675      7.147893
  C     -11.200324      3.502283      7.278362
  C     -10.335230      3.292217      6.176480
  H      -3.965688      1.092943      2.785844
  H      -5.040635      2.059779      3.804662
  H      -5.252475      0.008621      5.358283
  H      -4.475847     -0.937377      4.071857
  H      -6.908050     -1.107369      3.725377
  H      -7.111312      0.637878      3.952522
  H      -6.731950      2.618428     -0.007131
  H      -4.961093     -1.042246     -2.159583
  H      -4.365284     -3.376745     -1.462109
  H      -4.718814     -4.099799      0.889239
  H      -5.630408     -2.525419      2.561952
  H      -4.704055      6.004198      6.277471
  H      -3.214031      6.505106      7.089897
  H      -2.726868      8.137592      5.330258
  H      -4.397333      8.345262      5.885728
  H      -4.142764      8.493968      3.379295
  H      -3.463480      6.879762      3.359175
  H      -8.388147      6.728983      5.371074
  H      -8.822703      4.942789      1.159034
  H      -7.349001      4.844244     -0.863187
  H      -5.050112      5.785371     -0.784697
  H      -4.167692      6.777841      1.311107
  H      -6.002493      2.334267      8.165416
  H      -6.314306      2.346140      6.412106
  H      -6.398870      4.792349      8.241170
  H      -6.551206      4.831838      6.478221
  H      -8.456486      3.242469      8.290031
  H      -8.743293      4.897141      7.791951
  H      -8.163469      2.724397      3.129916
  H     -12.684464      2.325947      3.862569
  H     -14.183660      2.706366      5.830257
  H     -13.222923      3.455898      7.999507
  H     -10.789815      3.831758      8.233655
  N      -3.327651      3.946044      2.821004
  H      -3.880041      4.786227      2.618249
  H      -3.614280      3.252851      2.125533
  H      -2.355783      4.196365      2.622492
99
Coordinates from ORCA-job orca E -6204.877539231724
  N      -3.267898      1.614718      4.716492
  Mo     -3.769276      3.468161      5.139815
  N      -4.523073      3.234127      6.992417
  C      -3.587045      3.126979      8.148041
  C      -2.319386      2.413989      7.650781
  N      -1.878490      3.046024      6.342693
  C      -1.041372      2.103341      5.513533
  C      -1.932183      1.027313      4.829829
  C      -1.133597      4.342219      6.592870
  C      -1.487507      5.338465      5.463814
  N      -2.959935      5.330881      5.337054
  H      -1.508395      0.774397      3.837167
  H      -1.941017      0.088179      5.419761
  H      -0.550325      2.714366      4.747023
  H      -0.257575      1.645570      6.144926
  H      -1.091611      6.341120      5.713921
  H      -1.002242      5.026983      4.522742
  H      -1.492234      4.748755      7.547565
  H      -0.048684      4.149153      6.678572
  H      -4.019036      2.547503      8.982735
  H      -3.325089      4.120917      8.569130
  H      -2.563785      1.365387      7.430967
  H      -1.494356      2.443021      8.385257
  C      -4.328544      1.160755      3.826379
  C      -5.126454     -0.073073      4.260849
  C      -6.478314     -0.151792      3.516826
  C      -6.345360      0.104342      2.039878
  N      -6.655957      1.336924      1.620435
  C      -6.476876      1.609799      0.306057
  N      -5.989962      0.811431     -0.629327
  C      -5.669913     -0.460748     -0.225350
  C      -5.146845     -1.375310     -1.169023
  C      -4.827374     -2.669744     -0.788549
  C      -5.023915     -3.092610      0.539233
  C      -5.529559     -2.215234      1.487620
  C      -5.855549     -0.882487      1.131933
  C      -3.642574      6.411449      6.070082
  C      -3.668419      7.735606      5.294114
  C      -4.124167      7.572938      3.843288
  C      -5.514769      7.017376      3.651746
  N      -6.391278      7.134624      4.662719
  C      -7.645103      6.679154      4.457680
  N      -8.137898      6.098401      3.373219
  C      -7.275782      5.983311      2.317131
  C      -7.740913      5.399104      1.115981
  C      -6.914976      5.347045      0.002530
  C      -5.601959      5.868686      0.052531
  C      -5.106122      6.415028      1.229349
  C      -5.921670      6.468442      2.393523
  C      -5.941016      2.970809      7.303358
  C      -6.796007      4.238054      7.421157
  C      -8.290420      3.961441      7.549570
  C      -8.947042      3.448786      6.287814
  N      -8.190401      3.239900      5.219062
  C      -8.800361      2.814130      4.080090
  N     -10.080128      2.549151      3.904382
  C     -10.889280      2.754976      4.989017
  C     -12.279954      2.507238      4.870033
  C     -13.117994      2.715426      5.947089
  C     -12.598400      3.173330      7.178660
  C     -11.244208      3.421093      7.322958
  C     -10.360679      3.217813      6.235590
  H      -3.987380      1.036458      2.776491
  H      -5.071130      2.026686      3.772454
  H      -5.309035     -0.019545      5.344504
  H      -4.520741     -0.974624      4.072944
  H      -6.956126     -1.125386      3.700731
  H      -7.145652      0.622034      3.923267
  H      -6.759420      2.622027      0.000440
  H      -5.012494     -1.027763     -2.194107
  H      -4.426503     -3.372784     -1.523044
  H      -4.778186     -4.118700      0.820603
  H      -5.678303     -2.556882      2.512069
  H      -4.681737      6.104911      6.248543
  H      -3.189603      6.590057      7.067262
  H      -2.666054      8.192635      5.287578
  H      -4.336798      8.423013      5.833919
  H      -4.061860      8.549310      3.330328
  H      -3.401313      6.928132      3.319439
  H      -8.333569      6.799389      5.302356
  H      -8.764610      5.012823      1.094667
  H      -7.289995      4.915347     -0.926179
  H      -4.989531      5.852683     -0.852552
  H      -4.098355      6.840039      1.249753
  H      -6.029716      2.377749      8.236167
  H      -6.368798      2.363552      6.486832
  H      -6.450926      4.836454      8.279376
  H      -6.626536      4.846127      6.517701
  H      -8.487908      3.247114      8.370550
  H      -8.809248      4.887944      7.850134
  H      -8.136942      2.659854      3.222502
  H     -12.657518      2.157359      3.907584
  H     -14.190228      2.527384      5.850793
  H     -13.274659      3.332527      8.019265
  H     -10.854171      3.774772      8.278229
  N      -3.303254      3.943969      2.744660
  H      -3.848239      4.785149      2.533790
  H      -3.587942      3.248093      2.053529
  H      -2.328308      4.187177      2.549806
99
Coordinates from ORCA-job orca E -6204.879538271739
  N      -3.254708      1.621327      4.691415
  Mo     -3.763799      3.465821      5.131804
  N      -4.511818      3.219861      6.982169
  C      -3.574249      3.113166      8.132928
  C      -2.306473      2.407852      7.630982
  N      -1.873834      3.046125      6.326484
  C      -1.037244      2.109624      5.493264
  C      -1.926117      1.027631      4.824038
  C      -1.132080      4.339914      6.577912
  C      -1.492172      5.338788      5.455252
  N      -2.962669      5.327539      5.335692
  H      -1.496271      0.754316      3.839619
  H      -1.946464      0.099949      5.431042
  H      -0.560484      2.723089      4.719569
  H      -0.244263      1.659690      6.118227
  H      -1.098965      6.340272      5.712036
  H      -1.009974      5.035124      4.510258
  H      -1.486720      4.741614      7.535789
  H      -0.046311      4.150811      6.655711
  H      -4.002023      2.530867      8.967598
  H      -3.314309      4.107222      8.553877
  H      -2.548354      1.359896      7.407246
  H      -1.480187      2.437063      8.363581
  C      -4.311546      1.149995      3.809074
  C      -5.085155     -0.095113      4.252516
  C      -6.438157     -0.196540      3.513925
  C      -6.313856      0.054552      2.034888
  N      -6.639596      1.281564      1.611225
  C      -6.468909      1.550532      0.294151
  N      -5.979760      0.752994     -0.640690
  C      -5.645793     -0.514538     -0.232924
  C      -5.122758     -1.428586     -1.176180
  C      -4.791596     -2.718476     -0.791951
  C      -4.975548     -3.136313      0.539770
  C      -5.480219     -2.258757      1.487936
  C      -5.819289     -0.931428      1.128008
  C      -3.639656      6.397701      6.089402
  C      -3.684267      7.732635      5.329404
  C      -4.163552      7.588767      3.883751
  C      -5.555026      7.033977      3.705042
  N      -6.421510      7.150169      4.725264
  C      -7.674945      6.689946      4.534285
  N      -8.175737      6.101833      3.457312
  C      -7.324149      5.987976      2.391633
  C      -7.795006      5.392868      1.198166
  C      -6.977591      5.336163      0.078037
  C      -5.669969      5.869473      0.110614
  C      -5.169266      6.430793      1.278118
  C      -5.973241      6.483658      2.451272
  C      -5.928382      2.958450      7.292265
  C      -6.778855      4.231105      7.390702
  C      -8.275703      3.967638      7.513949
  C      -8.935881      3.464546      6.250772
  N      -8.181013      3.234066      5.184588
  C      -8.797617      2.820498      4.044307
  N     -10.082547      2.587112      3.864955
  C     -10.888856      2.814832      4.947276
  C     -12.284029      2.601530      4.824891
  C     -13.119184      2.833092      5.899676
  C     -12.592401      3.280418      7.132720
  C     -11.234079      3.494754      7.280456
  C     -10.353184      3.267153      6.195030
  H      -3.968137      1.024362      2.759681
  H      -5.064270      2.003824      3.753100
  H      -5.267051     -0.038114      5.336295
  H      -4.465586     -0.987571      4.066899
  H      -6.903806     -1.175241      3.703840
  H      -7.112818      0.571468      3.919533
  H      -6.761690      2.559298     -0.014164
  H      -4.998628     -1.084668     -2.203974
  H      -4.392102     -3.421895     -1.525558
  H      -4.720916     -4.158895      0.823961
  H      -5.619619     -2.596538      2.515667
  H      -4.674702      6.084990      6.282180
  H      -3.171027      6.567827      7.080758
  H      -2.683320      8.192660      5.310726
  H      -4.345714      8.410538      5.889446
  H      -4.109716      8.573136      3.384155
  H      -3.449530      6.951181      3.340102
  H      -8.356241      6.810953      5.385077
  H      -8.814774      4.998578      1.188934
  H      -7.357399      4.894442     -0.844253
  H      -5.064398      5.850413     -0.800106
  H      -4.166101      6.865434      1.285017
  H      -6.019689      2.378967      8.233610
  H      -6.353892      2.340096      6.483428
  H      -6.434407      4.836093      8.244289
  H      -6.599934      4.828386      6.481983
  H      -8.482196      3.254661      8.333085
  H      -8.785543      4.899094      7.813544
  H      -8.137620      2.647812      3.187654
  H     -12.667074      2.259156      3.861599
  H     -14.194741      2.672112      5.800684
  H     -13.266738      3.458302      7.971486
  H     -10.838170      3.840524      8.236550
  N      -3.337751      3.959088      2.747344
  H      -3.897175      4.790271      2.534815
  H      -3.613985      3.254760      2.062928
  H      -2.369267      4.218110      2.548679
99
Coordinates from ORCA-job orca E -6204.884578785866
  N      -3.268664      1.640722      4.670579
  Mo     -3.772595      3.469696      5.149182
  N      -4.499300      3.206985      6.977229
  C      -3.564847      3.102487      8.104219
  C      -2.308397      2.408411      7.597165
  N      -1.895046      3.048173      6.306520
  C      -1.075093      2.120154      5.468237
  C      -1.962479      1.051413      4.806816
  C      -1.152181      4.320571      6.555202
  C      -1.519637      5.314482      5.451465
  N      -2.970092      5.314600      5.345519
  H      -1.528798      0.769993      3.828150
  H      -1.991027      0.128047      5.420211
  H      -0.607593      2.742816      4.693875
  H      -0.277073      1.667258      6.085063
  H      -1.118774      6.312413      5.704943
  H      -1.056356      5.011081      4.497402
  H      -1.492915      4.717973      7.519599
  H      -0.067980      4.123569      6.621592
  H      -3.988659      2.509215      8.934011
  H      -3.310382      4.095598      8.529154
  H      -2.547689      1.361479      7.367851
  H      -1.474741      2.438957      8.320743
  C      -4.317345      1.158742      3.812782
  C      -5.063126     -0.102599      4.256450
  C      -6.415169     -0.224191      3.526381
  C      -6.289622      0.038023      2.048960
  N      -6.628587      1.262531      1.623840
  C      -6.448020      1.535492      0.308182
  N      -5.948497      0.743109     -0.628215
  C      -5.605741     -0.522209     -0.220648
  C      -5.075001     -1.433065     -1.162324
  C      -4.732305     -2.719728     -0.776037
  C      -4.912345     -3.135403      0.559496
  C      -5.425004     -2.260520      1.505509
  C      -5.777768     -0.938877      1.140747
  C      -3.634790      6.378348      6.105284
  C      -3.681578      7.715198      5.342194
  C      -4.176762      7.572398      3.903236
  C      -5.571499      7.029615      3.743466
  N      -6.415889      7.154594      4.776995
  C      -7.670519      6.688994      4.609835
  N      -8.185635      6.088664      3.547356
  C      -7.351366      5.964959      2.467424
  C      -7.829221      5.347095      1.288466
  C      -7.033675      5.279737      0.157332
  C      -5.740212      5.828205      0.161566
  C      -5.228761      6.409573      1.315571
  C      -6.010080      6.469559      2.500578
  C      -5.900434      2.940784      7.276480
  C      -6.743163      4.216340      7.355037
  C      -8.244330      3.967864      7.464144
  C      -8.910219      3.481437      6.198882
  N      -8.158317      3.239549      5.133968
  C      -8.785231      2.841275      3.992797
  N     -10.076670      2.641425      3.811659
  C     -10.875820      2.878306      4.896501
  C     -12.275380      2.690898      4.776349
  C     -13.104136      2.928293      5.854231
  C     -12.568714      3.358010      7.090041
  C     -11.206947      3.548509      7.234687
  C     -10.331951      3.312406      6.144993
  H      -3.976692      1.040696      2.760871
  H      -5.091963      1.986962      3.760122
  H      -5.238814     -0.052072      5.342258
  H      -4.430360     -0.982411      4.058558
  H      -6.857661     -1.214196      3.715328
  H      -7.100862      0.531279      3.935648
  H      -6.752047      2.541518     -0.002834
  H      -4.952636     -1.091548     -2.191977
  H      -4.327032     -3.419730     -1.508482
  H      -4.647579     -4.153863      0.847083
  H      -5.563745     -2.592765      2.536643
  H      -4.667422      6.067106      6.311392
  H      -3.151481      6.537813      7.089897
  H      -2.675982      8.166012      5.313314
  H      -4.330694      8.403448      5.903531
  H      -4.125215      8.554586      3.396594
  H      -3.472850      6.923670      3.357002
  H      -8.340465      6.817687      5.468217
  H      -8.839552      4.944341      1.299302
  H      -7.421168      4.817982     -0.753382
  H      -5.148386      5.805980     -0.754238
  H      -4.234553      6.853261      1.301408
  H      -5.994639      2.370093      8.222060
  H      -6.315891      2.312608      6.472682
  H      -6.406879      4.823898      8.209729
  H      -6.545138      4.803180      6.446963
  H      -8.463810      3.254596      8.278413
  H      -8.748286      4.903081      7.761760
  H      -8.131375      2.657971      3.134564
  H     -12.665699      2.361731      3.812906
  H     -14.182991      2.785219      5.755874
  H     -13.237865      3.541276      7.932060
  H     -10.803186      3.879746      8.191107
  N      -3.433401      3.987848      2.765706
  H      -4.012180      4.815314      2.563592
  H      -3.725852      3.269822      2.087854
  H      -2.468545      4.250641      2.538671
99
Coordinates from ORCA-job orca E -6204.886104548278
  N      -3.258767      1.653162      4.653361
  Mo     -3.757092      3.470812      5.151015
  N      -4.477824      3.204758      6.967963
  C      -3.547543      3.103791      8.088402
  C      -2.295701      2.407204      7.581381
  N      -1.889800      3.044581      6.291999
  C      -1.077738      2.116606      5.453030
  C      -1.969656      1.049363      4.809271
  C      -1.143841      4.310650      6.532244
  C      -1.517989      5.304595      5.433793
  N      -2.961954      5.306906      5.344347
  H      -1.529397      0.743813      3.839120
  H      -2.014588      0.136576      5.439216
  H      -0.618668      2.736065      4.670632
  H      -0.273693      1.666248      6.063820
  H      -1.112079      6.301494      5.685386
  H      -1.065634      5.001811      4.473118
  H      -1.474077      4.711058      7.499782
  H      -0.059221      4.109823      6.589512
  H      -3.971240      2.513718      8.921965
  H      -3.291059      4.099362      8.508226
  H      -2.537195      1.359067      7.357819
  H      -1.459445      2.439125      8.301960
  C      -4.300402      1.154987      3.806528
  C      -5.025815     -0.116684      4.257481
  C      -6.381695     -0.258358      3.535887
  C      -6.270827      0.002532      2.056536
  N      -6.630891      1.220311      1.629860
  C      -6.473032      1.490299      0.311479
  N      -5.977995      0.700376     -0.628351
  C      -5.613255     -0.558369     -0.220033
  C      -5.085263     -1.466573     -1.164777
  C      -4.718299     -2.746786     -0.777333
  C      -4.869912     -3.158445      0.562895
  C      -5.380753     -2.286529      1.511720
  C      -5.758176     -0.970988      1.145700
  C      -3.625716      6.355236      6.120379
  C      -3.704410      7.703037      5.378839
  C      -4.228651      7.583522      3.948366
  C      -5.625120      7.037204      3.804964
  N      -6.460244      7.153333      4.848243
  C      -7.715678      6.682697      4.691133
  N      -8.237575      6.079814      3.632708
  C      -7.412111      5.962764      2.543878
  C      -7.892213      5.337291      1.369394
  C      -7.098551      5.269152      0.232799
  C      -5.807823      5.827446      0.227310
  C      -5.298279      6.423161      1.374993
  C      -6.074174      6.479407      2.565194
  C      -5.878333      2.943332      7.258152
  C      -6.715866      4.225406      7.311966
  C      -8.219367      3.990554      7.417806
  C      -8.882074      3.497867      6.152961
  N      -8.125366      3.229922      5.097928
  C      -8.749770      2.833289      3.954610
  N     -10.043205      2.658419      3.762629
  C     -10.846584      2.919216      4.838235
  C     -12.247705      2.758586      4.706487
  C     -13.080225      3.021460      5.775142
  C     -12.547273      3.451218      7.012757
  C     -11.184405      3.616109      7.168332
  C     -10.305407      3.354017      6.088088
  H      -3.957826      1.034353      2.755210
  H      -5.080411      1.965762      3.752455
  H      -5.196304     -0.064848      5.344203
  H      -4.384621     -0.989860      4.057970
  H      -6.809342     -1.253846      3.729499
  H      -7.074637      0.488488      3.949073
  H      -6.791230      2.491380      0.000698
  H      -4.983550     -1.128665     -2.197665
  H      -4.313631     -3.444470     -1.512461
  H      -4.584267     -4.171472      0.851705
  H      -5.497020     -2.614392      2.546315
  H      -4.651813      6.029632      6.342633
  H      -3.125438      6.509457      7.097480
  H      -2.702915      8.162672      5.337176
  H      -4.348598      8.376417      5.963704
  H      -4.191784      8.575547      3.459793
  H      -3.532745      6.948294      3.377253
  H      -8.378785      6.806526      5.555867
  H      -8.902013      4.927051      1.386849
  H      -7.485703      4.798913     -0.673693
  H      -5.214580      5.802866     -0.689990
  H      -4.305627      6.874899      1.354200
  H      -5.982018      2.388949      8.213143
  H      -6.290186      2.300979      6.462323
  H      -6.380114      4.845331      8.159711
  H      -6.508228      4.796427      6.393710
  H      -8.448177      3.285286      8.238743
  H      -8.716749      4.933397      7.702783
  H      -8.092836      2.628378      3.104634
  H     -12.636180      2.428756      3.741799
  H     -14.159353      2.899675      5.667757
  H     -13.219403      3.655163      7.847118
  H     -10.782017      3.948400      8.125925
  N      -3.462359      3.992024      2.787095
  H      -4.048552      4.804594      2.574274
  H      -3.741063      3.264772      2.123462
  H      -2.506326      4.265557      2.560122
99
Coordinates from ORCA-job orca E -6204.886947997569
  N      -3.255724      1.671902      4.629799
  Mo     -3.751567      3.481342      5.149901
  N      -4.463296      3.206257      6.964822
  C      -3.530016      3.103927      8.081940
  C      -2.281282      2.407619      7.566753
  N      -1.885705      3.048147      6.275074
  C      -1.078094      2.123023      5.428674
  C      -1.976029      1.052823      4.802792
  C      -1.135453      4.312636      6.513437
  C      -1.516913      5.309520      5.418759
  N      -2.961449      5.313711      5.344803
  H      -1.532843      0.722504      3.841507
  H      -2.033791      0.152261      5.449477
  H      -0.632834      2.741299      4.638199
  H      -0.264068      1.677911      6.029437
  H      -1.105323      6.304950      5.668248
  H      -1.074277      5.006911      4.453321
  H      -1.457260      4.712857      7.483973
  H      -0.050985      4.110491      6.562690
  H      -3.949024      2.513974      8.917389
  H      -3.270777      4.098795      8.501175
  H      -2.523851      1.359356      7.346569
  H      -1.440483      2.439701      8.282069
  C      -4.298981      1.160792      3.794681
  C      -5.000586     -0.122021      4.253420
  C      -6.359254     -0.288160      3.540069
  C      -6.263729     -0.034280      2.058571
  N      -6.642108      1.176759      1.628555
  C      -6.499787      1.442022      0.307901
  N      -6.005538      0.652696     -0.632493
  C      -5.621824     -0.599451     -0.221319
  C      -5.095567     -1.506995     -1.166973
  C      -4.710732     -2.780479     -0.776497
  C      -4.840864     -3.186105      0.567384
  C      -5.350135     -2.315279      1.517042
  C      -5.747533     -1.006341      1.148214
  C      -3.620975      6.350382      6.138092
  C      -3.707513      7.705128      5.411984
  C      -4.243886      7.596151      3.984663
  C      -5.643924      7.056165      3.849609
  N      -6.473928      7.176854      4.896975
  C      -7.730716      6.706946      4.747589
  N      -8.259081      6.098802      3.695273
  C      -7.439628      5.976383      2.602911
  C      -7.925004      5.340992      1.436658
  C      -7.132409      5.259232      0.299085
  C      -5.840321      5.817276      0.284040
  C      -5.327997      6.427391      1.422774
  C      -6.100091      6.493495      2.614930
  C      -5.864649      2.943628      7.254712
  C      -6.707895      4.223120      7.292463
  C      -8.211489      3.987218      7.388009
  C      -8.868587      3.496988      6.119405
  N      -8.107978      3.210237      5.071233
  C      -8.729144      2.817586      3.924904
  N     -10.023382      2.665874      3.723261
  C     -10.831047      2.944883      4.791380
  C     -12.233447      2.805968      4.650114
  C     -13.069328      3.084347      5.712893
  C     -12.538618      3.509054      6.953207
  C     -11.174912      3.653471      7.117702
  C     -10.292440      3.374627      6.044151
  H      -3.959912      1.038424      2.741425
  H      -5.085035      1.959191      3.745441
  H      -5.165497     -0.070760      5.341046
  H      -4.348074     -0.986273      4.051488
  H      -6.769374     -1.289706      3.740736
  H      -7.061665      0.449439      3.954066
  H      -6.830782      2.438748     -0.004627
  H      -5.010580     -1.174212     -2.202736
  H      -4.308803     -3.477741     -1.512269
  H      -4.541002     -4.193897      0.858442
  H      -5.451151     -2.638736      2.554648
  H      -4.644192      6.019739      6.366356
  H      -3.111827      6.497111      7.112203
  H      -2.706427      8.164766      5.365041
  H      -4.346184      8.372978      6.008961
  H      -4.206999      8.590920      3.502140
  H      -3.555755      6.961279      3.404952
  H      -8.388504      6.833517      5.615448
  H      -8.935471      4.930666      1.461299
  H      -7.521899      4.778797     -0.600629
  H      -5.246798      5.781693     -0.632910
  H      -4.335684      6.880800      1.393699
  H      -5.968982      2.401121      8.216515
  H      -6.274387      2.289343      6.467551
  H      -6.380846      4.848708      8.138180
  H      -6.494992      4.789314      6.373056
  H      -8.443895      3.280588      8.205134
  H      -8.710325      4.929080      7.671860
  H      -8.069072      2.592498      3.081425
  H     -12.620146      2.478848      3.683436
  H     -14.149428      2.978451      5.598690
  H     -13.213513      3.725288      7.783019
  H     -10.773968      3.982005      8.077497
  N      -3.506681      4.012818      2.802162
  H      -4.106101      4.816800      2.584735
  H      -3.779272      3.277110      2.146101
  H      -2.553755      4.296231      2.568163
99
Coordinates from ORCA-job orca E -6204.887750728616
  N      -3.252907      1.684048      4.611819
  Mo     -3.743193      3.489773      5.148511
  N      -4.452120      3.214689      6.961891
  C      -3.519055      3.114340      8.081837
  C      -2.272531      2.414051      7.565040
  N      -1.883810      3.050634      6.266381
  C      -1.078546      2.122157      5.419239
  C      -1.982421      1.049399      4.808722
  C      -1.126127      4.314698      6.499625
  C      -1.507641      5.309322      5.400825
  N      -2.953449      5.319593      5.334863
  H      -1.534016      0.691623      3.859493
  H      -2.055569      0.163480      5.473625
  H      -0.640572      2.735280      4.621252
  H      -0.259164      1.682343      6.016297
  H      -1.087987      6.303682      5.642348
  H      -1.072098      4.998836      4.434755
  H      -1.443357      4.720581      7.469398
  H      -0.042702      4.107559      6.548256
  H      -3.936995      2.528347      8.920153
  H      -3.257557      4.109710      8.497345
  H      -2.515568      1.364401      7.353809
  H      -1.428361      2.450095      8.276101
  C      -4.299549      1.158778      3.790285
  C      -4.977864     -0.134347      4.257282
  C      -6.338590     -0.324021      3.551900
  C      -6.258497     -0.070383      2.069519
  N      -6.654371      1.136872      1.643091
  C      -6.529147      1.404182      0.321984
  N      -6.039296      0.618947     -0.624113
  C      -5.638570     -0.629328     -0.217284
  C      -5.115101     -1.532272     -1.169493
  C      -4.710375     -2.800991     -0.783305
  C      -4.817506     -3.207040      0.562201
  C      -5.324745     -2.341581      1.518089
  C      -5.741773     -1.036891      1.154095
  C      -3.609874      6.347210      6.140798
  C      -3.695096      7.708501      5.429245
  C      -4.241034      7.613468      4.004140
  C      -5.647758      7.088226      3.878411
  N      -6.469269      7.216834      4.931537
  C      -7.730185      6.755309      4.791912
  N      -8.270591      6.147491      3.745705
  C      -7.459817      6.014795      2.648717
  C      -7.957033      5.373474      1.491300
  C      -7.170127      5.274852      0.351044
  C      -5.875132      5.826158      0.323745
  C      -5.352847      6.445677      1.453192
  C      -6.116636      6.524385      2.649240
  C      -5.855172      2.950058      7.251111
  C      -6.707306      4.223842      7.273771
  C      -8.209978      3.978902      7.364920
  C      -8.861093      3.485798      6.094300
  N      -8.094291      3.188387      5.053367
  C      -8.708845      2.796778      3.903619
  N     -10.002852      2.661937      3.690958
  C     -10.817410      2.951115      4.751267
  C     -12.219809      2.827256      4.598214
  C     -13.061800      3.112608      5.654469
  C     -12.537468      3.530506      6.899141
  C     -11.174100      3.661604      7.074553
  C     -10.285106      3.375060      6.008203
  H      -3.965614      1.031273      2.735450
  H      -5.094891      1.945087      3.743934
  H      -5.136191     -0.084795      5.346003
  H      -4.314813     -0.989639      4.051648
  H      -6.728912     -1.332811      3.755896
  H      -7.051768      0.400914      3.969678
  H      -6.871306      2.398892      0.013702
  H      -5.047531     -1.199770     -2.206635
  H      -4.310059     -3.494257     -1.524644
  H      -4.501518     -4.210974      0.850039
  H      -5.408386     -2.665166      2.557056
  H      -4.632033      6.013957      6.368378
  H      -3.097651      6.484890      7.114880
  H      -2.692216      8.163581      5.379985
  H      -4.326430      8.373811      6.036595
  H      -4.197217      8.610146      3.526784
  H      -3.563933      6.974007      3.417015
  H      -8.380105      6.887638      5.664494
  H      -8.969815      4.969145      1.525066
  H      -7.566739      4.786344     -0.540875
  H      -5.284671      5.776808     -0.593738
  H      -4.358994      6.894841      1.413867
  H      -5.958820      2.419643      8.219570
  H      -6.261450      2.282612      6.473120
  H      -6.388454      4.858377      8.115799
  H      -6.495313      4.785528      6.351231
  H      -8.439954      3.269974      8.180330
  H      -8.715007      4.917108      7.648221
  H      -8.042964      2.556824      3.067819
  H     -12.601343      2.504692      3.628416
  H     -14.141964      3.017238      5.531680
  H     -13.217169      3.752483      7.723798
  H     -10.778270      3.985492      8.037556
  N      -3.548863      4.018508      2.812258
  H      -4.159087      4.811782      2.581125
  H      -3.812449      3.268419      2.169213
  H      -2.599381      4.308820      2.571690
99
Coordinates from ORCA-job orca E -6204.888552393782
  N      -3.245986      1.693219      4.592018
  Mo     -3.732716      3.496437      5.147156
  N      -4.441603      3.220644      6.959134
  C      -3.510307      3.121488      8.084621
  C      -2.264286      2.419151      7.569151
  N      -1.881028      3.052213      6.263689
  C      -1.075906      2.119946      5.417427
  C      -1.983467      1.046234      4.814151
  C      -1.116699      4.316797      6.494649
  C      -1.494402      5.309435      5.391182
  N      -2.941392      5.325714      5.324769
  H      -1.528717      0.665438      3.877171
  H      -2.072424      0.173397      5.494037
  H      -0.641161      2.729500      4.614816
  H      -0.254187      1.684063      6.014234
  H      -1.068057      6.302773      5.625802
  H      -1.062471      4.990918      4.426259
  H      -1.433685      4.726876      7.462678
  H      -0.034906      4.103798      6.547715
  H      -3.929249      2.538640      8.923852
  H      -3.248388      4.117069      8.497506
  H      -2.505372      1.367951      7.365398
  H      -1.417422      2.460127      8.276661
  C      -4.296830      1.153334      3.784195
  C      -4.951640     -0.150833      4.255773
  C      -6.312195     -0.362126      3.555356
  C      -6.241641     -0.105287      2.073382
  N      -6.648745      1.101017      1.653246
  C      -6.534959      1.373318      0.333063
  N      -6.050158      0.592283     -0.620164
  C      -5.638829     -0.654611     -0.220022
  C      -5.120567     -1.553567     -1.179746
  C      -4.702750     -2.820210     -0.800079
  C      -4.791370     -3.228930      0.545785
  C      -5.294697     -2.368480      1.508729
  C      -5.725080     -1.065625      1.151748
  C      -3.599236      6.345201      6.139303
  C      -3.684828      7.710494      5.437761
  C      -4.243976      7.623491      4.016979
  C      -5.656991      7.110531      3.910167
  N      -6.463529      7.251404      4.972768
  C      -7.728747      6.797397      4.852620
  N      -8.286061      6.185293      3.818302
  C      -7.490182      6.037388      2.712821
  C      -8.005852      5.387134      1.568619
  C      -7.234609      5.272784      0.419684
  C      -5.938069      5.817572      0.370818
  C      -5.397387      6.445491      1.487540
  C      -6.144878      6.539853      2.691948
  C      -5.847402      2.957565      7.246636
  C      -6.702507      4.228977      7.250339
  C      -8.205211      3.981789      7.338450
  C      -8.852123      3.484726      6.067330
  N      -8.080122      3.170162      5.035477
  C      -8.689217      2.774543      3.883712
  N      -9.983249      2.659100      3.659939
  C     -10.803554      2.966717      4.710665
  C     -12.206082      2.861559      4.545314
  C     -13.053378      3.161867      5.593131
  C     -12.534486      3.577525      6.840988
  C     -11.171215      3.691352      7.027772
  C     -10.276537      3.389154      5.970351
  H      -3.970183      1.022471      2.727140
  H      -5.105027      1.927060      3.742000
  H      -5.104577     -0.106320      5.345616
  H      -4.277512     -0.996251      4.044966
  H      -6.683370     -1.377995      3.759343
  H      -7.037120      0.348950      3.976533
  H      -6.883483      2.367872      0.031233
  H      -5.066997     -1.219818     -2.217267
  H      -4.306598     -3.509570     -1.547875
  H      -4.464878     -4.230995      0.828838
  H      -5.365158     -2.693950      2.547878
  H      -4.620753      6.007609      6.362591
  H      -3.088335      6.475980      7.114990
  H      -2.680859      8.162530      5.383568
  H      -4.309048      8.374270      6.053950
  H      -4.195979      8.619927      3.539969
  H      -3.579323      6.977467      3.422698
  H      -8.366562      6.942106      5.732167
  H      -9.019913      4.988312      1.618963
  H      -7.644218      4.774973     -0.460921
  H      -5.358235      5.754705     -0.551871
  H      -4.402167      6.889448      1.431349
  H      -5.953110      2.440742      8.221881
  H      -6.250425      2.278250      6.477469
  H      -6.389915      4.874278      8.086588
  H      -6.488960      4.782389      6.322833
  H      -8.436172      3.273738      8.154544
  H      -8.712834      4.918926      7.619672
  H      -8.017907      2.511485      3.058635
  H     -12.583110      2.539643      3.573422
  H     -14.133690      3.079904      5.461336
  H     -13.218218      3.811650      7.658964
  H     -10.779982      4.014097      7.993098
  N      -3.596568      4.022982      2.818464
  H      -4.217122      4.806949      2.574842
  H      -3.851615      3.258488      2.186702
  H      -2.650402      4.318734      2.570037
99
Coordinates from ORCA-job orca E -6204.889440190299
  N      -3.237791      1.698192      4.576094
  Mo     -3.720522      3.501278      5.145488
  N      -4.434042      3.229814      6.957144
  C      -3.508463      3.133202      8.091309
  C      -2.261701      2.427701      7.583502
  N      -1.879746      3.052746      6.270671
  C      -1.074407      2.112269      5.430924
  C      -1.984472      1.040316      4.828191
  C      -1.107548      4.317404      6.498362
  C      -1.473435      5.304743      5.385798
  N      -2.920402      5.331504      5.307912
  H      -1.520693      0.638742      3.904877
  H      -2.092944      0.179879      5.520774
  H      -0.635613      2.716346      4.626032
  H      -0.255772      1.677956      6.033065
  H      -1.039811      6.297063      5.611510
  H      -1.041159      4.973006      4.425622
  H      -1.429331      4.734775      7.461802
  H      -0.028591      4.094547      6.562985
  H      -3.932858      2.554321      8.930175
  H      -3.248234      4.129865      8.501056
  H      -2.499759      1.374159      7.388503
  H      -1.413566      2.475520      8.288805
  C      -4.291576      1.141271      3.781464
  C      -4.925956     -0.171681      4.257074
  C      -6.284824     -0.401223      3.558789
  C      -6.221168     -0.134321      2.078261
  N      -6.636879      1.073722      1.668622
  C      -6.531430      1.356766      0.351051
  N      -6.051139      0.583086     -0.611893
  C      -5.632241     -0.664564     -0.222862
  C      -5.119165     -1.556596     -1.192766
  C      -4.691856     -2.823772     -0.824324
  C      -4.765588     -3.241032      0.519804
  C      -5.264605     -2.388591      1.492303
  C      -5.704913     -1.085079      1.147197
  C      -3.581402      6.347752      6.123884
  C      -3.661135      7.714624      5.426128
  C      -4.234697      7.632955      4.010528
  C      -5.656362      7.137942      3.927505
  N      -6.443799      7.296356      5.000973
  C      -7.714990      6.853964      4.905016
  N      -8.293729      6.237116      3.885695
  C      -7.517004      6.068779      2.770399
  C      -8.055939      5.407662      1.642686
  C      -7.304905      5.273512      0.482976
  C      -6.006408      5.808386      0.407823
  C      -5.442340      6.444721      1.508911
  C      -6.168924      6.559212      2.723533
  C      -5.841603      2.964637      7.242684
  C      -6.702011      4.231174      7.229060
  C      -8.204872      3.978924      7.316606
  C      -8.850469      3.475509      6.047262
  N      -8.074978      3.144695      5.023942
  C      -8.680379      2.741447      3.872136
  N      -9.974347      2.644438      3.638744
  C     -10.798948      2.970647      4.680459
  C     -12.201647      2.884497      4.503510
  C     -13.053287      3.200255      5.542902
  C     -12.538746      3.613556      6.793475
  C     -11.175394      3.709760      6.990735
  C     -10.275885      3.392186      5.941851
  H      -3.972712      1.005486      2.722785
  H      -5.113260      1.902273      3.740385
  H      -5.074657     -0.132881      5.347862
  H      -4.242307     -1.008316      4.041975
  H      -6.637595     -1.424264      3.758430
  H      -7.021854      0.293837      3.985128
  H      -6.884857      2.353056      0.059510
  H      -5.076679     -1.217286     -2.229070
  H      -4.300038     -3.506598     -1.580958
  H      -4.431526     -4.243197      0.794550
  H      -5.324585     -2.720451      2.529888
  H      -4.604380      6.009268      6.339038
  H      -3.076951      6.472763      7.103345
  H      -2.654436      8.159741      5.366919
  H      -4.276419      8.381975      6.047400
  H      -4.179484      8.626478      3.528854
  H      -3.585245      6.975613      3.411509
  H      -8.336203      7.013571      5.793425
  H      -9.071469      5.016657      1.713815
  H      -7.731471      4.765945     -0.384027
  H      -5.441472      5.729514     -0.522211
  H      -4.444892      6.879965      1.432425
  H      -5.947484      2.459945      8.223697
  H      -6.239445      2.273737      6.481244
  H      -6.396141      4.887847      8.059165
  H      -6.489723      4.777103      6.296838
  H      -8.434258      3.271925      8.134771
  H      -8.716599      4.914076      7.596567
  H      -8.004165      2.457999      3.057536
  H     -12.574726      2.563356      3.529968
  H     -14.133668      3.132391      5.402561
  H     -13.225756      3.860263      7.604975
  H     -10.788374      4.031745      7.957942
  N      -3.650376      4.018752      2.818496
  H      -4.280416      4.791295      2.560305
  H      -3.895182      3.239781      2.199194
  H      -2.707837      4.320812      2.562144
99
Coordinates from ORCA-job orca E -6204.890499069193
  N      -3.224011      1.700689      4.559665
  Mo     -3.704592      3.504374      5.143185
  N      -4.427074      3.235679      6.954250
  C      -3.510339      3.140346      8.098842
  C      -2.260544      2.433478      7.603356
  N      -1.875498      3.051252      6.285708
  C      -1.069607      2.101626      5.454266
  C      -1.980443      1.034327      4.843376
  C      -1.096481      4.315656      6.512373
  C      -1.444514      5.298447      5.390348
  N      -2.890287      5.337079      5.291111
  H      -1.505015      0.617467      3.933469
  H      -2.111120      0.183264      5.543831
  H      -0.621311      2.701248      4.650519
  H      -0.258321      1.665510      6.064978
  H      -1.005036      6.289408      5.610357
  H      -1.007417      4.954038      4.436886
  H      -1.427807      4.739199      7.470042
  H      -0.021168      4.081738      6.593283
  H      -3.944188      2.564269      8.934597
  H      -3.254135      4.138372      8.506868
  H      -2.494243      1.377645      7.413938
  H      -1.413172      2.487534      8.308849
  C      -4.279307      1.124424      3.775930
  C      -4.895112     -0.196097      4.254294
  C      -6.251831     -0.440722      3.556733
  C      -6.194328     -0.162312      2.078259
  N      -6.619213      1.047733      1.680875
  C      -6.521800      1.343606      0.366889
  N      -6.045301      0.579033     -0.606814
  C      -5.618483     -0.669526     -0.230613
  C      -5.108635     -1.552793     -1.211490
  C      -4.671302     -2.820902     -0.856307
  C      -4.731518     -3.248985      0.485139
  C      -5.227661     -2.406151      1.467990
  C      -5.678181     -1.101788      1.136619
  C      -3.557991      6.351965      6.104400
  C      -3.639014      7.717808      5.405241
  C      -4.234702      7.635782      3.998253
  C      -5.663435      7.153585      3.948022
  N      -6.425980      7.329814      5.035466
  C      -7.701571      6.894164      4.972419
  N      -8.304204      6.267095      3.973644
  C      -7.552785      6.078848      2.845003
  C      -8.118523      5.403347      1.738152
  C      -7.396197      5.253321      0.562664
  C      -6.099747      5.783964      0.452201
  C      -5.508095      6.430387      1.533489
  C      -6.205718      6.562885      2.762969
  C      -5.837439      2.972252      7.234745
  C      -6.695504      4.238728      7.201514
  C      -8.200173      3.991273      7.289213
  C      -8.846296      3.479936      6.023524
  N      -8.068672      3.126117      5.011243
  C      -8.671428      2.711371      3.860972
  N      -9.965306      2.632970      3.618024
  C     -10.792852      2.984895      4.648631
  C     -12.195800      2.919385      4.459394
  C     -13.051073      3.258134      5.487667
  C     -12.540138      3.674941      6.739216
  C     -11.176602      3.751851      6.947442
  C     -10.273058      3.411662      5.909507
  H      -3.967701      0.984587      2.716040
  H      -5.114274      1.871767      3.734696
  H      -5.041206     -0.164135      5.345829
  H      -4.202455     -1.024329      4.035658
  H      -6.588615     -1.469667      3.751360
  H      -6.999583      0.239148      3.988058
  H      -6.880970      2.341724      0.087675
  H      -5.075881     -1.206075     -2.245700
  H      -4.282121     -3.495539     -1.622524
  H      -4.389420     -4.251446      0.750116
  H      -5.277377     -2.745915      2.503158
  H      -4.581904      6.010892      6.313296
  H      -3.060572      6.475024      7.087076
  H      -2.631358      8.159306      5.335681
  H      -4.245661      8.388457      6.031573
  H      -4.178757      8.625274      3.508853
  H      -3.601525      6.967907      3.392883
  H      -8.301830      7.070217      5.871886
  H      -9.132683      5.015891      1.837110
  H      -7.843356      4.735089     -0.287572
  H      -5.557509      5.692488     -0.489978
  H      -4.511186      6.860480      1.430099
  H      -5.947739      2.479336      8.220633
  H      -6.230466      2.272884      6.478738
  H      -6.392841      4.907103      8.024016
  H      -6.480233      4.773046      6.262986
  H      -8.433094      3.289631      8.112397
  H      -8.710601      4.928652      7.564501
  H      -7.990656      2.404030      3.059140
  H     -12.565319      2.594164      3.485760
  H     -14.131487      3.205804      5.338239
  H     -13.229888      3.939814      7.542286
  H     -10.793534      4.077156      7.915246
  N      -3.715552      4.013733      2.814517
  H      -4.354454      4.776054      2.546823
  H      -3.952758      3.223215      2.204056
  H      -2.777175      4.321801      2.549896
99
Coordinates from ORCA-job orca E -6204.891798018086
  N      -3.205844      1.699633      4.547341
  Mo     -3.687217      3.505365      5.139993
  N      -4.423909      3.238251      6.950027
  C      -3.519651      3.145065      8.105521
  C      -2.263847      2.439384      7.628879
  N      -1.869521      3.049390      6.310539
  C      -1.063616      2.089807      5.489633
  C      -1.972256      1.029599      4.863064
  C      -1.086028      4.312694      6.536967
  C      -1.409832      5.289774      5.404301
  N      -2.851909      5.342272      5.273562
  H      -1.481613      0.603955      3.966043
  H      -2.126336      0.184073      5.565809
  H      -0.600495      2.685333      4.690531
  H      -0.264069      1.648462      6.111602
  H      -0.966424      6.279440      5.621134
  H      -0.962759      4.932020      4.460443
  H      -1.431761      4.742622      7.487037
  H      -0.015258      4.067318      6.638493
  H      -3.967019      2.570203      8.935229
  H      -3.271654      4.145484      8.512891
  H      -2.491579      1.381088      7.441894
  H      -1.420564      2.499721      8.338382
  C      -4.258998      1.100412      3.770324
  C      -4.860841     -0.224532      4.251866
  C      -6.215211     -0.478956      3.553003
  C      -6.163063     -0.185692      2.077081
  N      -6.596438      1.026963      1.694089
  C      -6.505212      1.339371      0.384705
  N      -6.030563      0.587089     -0.600739
  C      -5.596771     -0.663030     -0.239862
  C      -5.089028     -1.534689     -1.232757
  C      -4.643654     -2.804778     -0.893709
  C      -4.692888     -3.247502      0.443667
  C      -5.186647     -2.416855      1.437881
  C      -5.646203     -1.111026      1.122910
  C      -3.527740      6.361103      6.077330
  C      -3.609979      7.722687      5.369015
  C      -4.230331      7.634211      3.972435
  C      -5.666014      7.165530      3.958408
  N      -6.400884      7.360787      5.060227
  C      -7.680215      6.930054      5.034179
  N      -8.307577      6.289571      4.059420
  C      -7.584882      6.082518      2.916074
  C      -8.178617      5.390824      1.832641
  C      -7.488819      5.225943      0.639858
  C      -6.196655      5.755062      0.489889
  C      -5.576212      6.412452      1.548759
  C      -6.240964      6.562129      2.794908
  C      -5.835738      2.973717      7.223798
  C      -6.689542      4.241106      7.174308
  C      -8.197141      4.002543      7.261715
  C      -8.848118      3.482759      6.002080
  N      -8.072968      3.102063      4.999610
  C      -8.677917      2.674561      3.853866
  N      -9.972436      2.614256      3.605877
  C     -10.798094      2.996293      4.626798
  C     -12.201729      2.953961      4.428725
  C     -13.056623      3.321945      5.446310
  C     -12.544754      3.745446      6.696051
  C     -11.180402      3.800394      6.911743
  C     -10.277047      3.431902      5.883882
  H      -3.951255      0.956505      2.710622
  H      -5.105125      1.833427      3.725341
  H      -5.007151     -0.198467      5.343637
  H      -4.161145     -1.046504      4.032313
  H      -6.539876     -1.512601      3.741205
  H      -6.971328      0.187725      3.989598
  H      -6.869814      2.340109      0.120175
  H      -5.063893     -1.177514     -2.263527
  H      -4.256708     -3.469054     -1.670220
  H      -4.344274     -4.251130      0.696627
  H      -5.227847     -2.767406      2.469472
  H      -4.553668      6.020658      6.282134
  H      -3.038071      6.485545      7.062899
  H      -2.601211      8.159545      5.286614
  H      -4.207958      8.400456      5.996346
  H      -4.175321      8.617269      3.470545
  H      -3.614055      6.953331      3.363234
  H      -8.256679      7.122039      5.945575
  H      -9.189744      5.005227      1.962856
  H      -7.958139      4.697008     -0.192047
  H      -5.681730      5.652738     -0.466869
  H      -4.581192      6.838648      1.415394
  H      -5.950288      2.488619      8.212477
  H      -6.223238      2.269094      6.469800
  H      -6.388912      4.918541      7.990859
  H      -6.468506      4.764277      6.230944
  H      -8.435430      3.308296      8.091408
  H      -8.703319      4.944366      7.530965
  H      -7.995772      2.343368      3.063446
  H     -12.571113      2.622209      3.457058
  H     -14.137080      3.287949      5.290150
  H     -13.234206      4.033287      7.491126
  H     -10.797781      4.131837      7.878020
  N      -3.798476      4.005291      2.806027
  H      -4.447760      4.755993      2.534081
  H      -4.029344      3.207241      2.201711
  H      -2.865556      4.322749      2.533443
99
Coordinates from ORCA-job orca E -6204.893271377205
  N      -3.186373      1.697410      4.537347
  Mo     -3.669391      3.504810      5.136768
  N      -4.422755      3.236787      6.943355
  C      -3.531709      3.145905      8.107763
  C      -2.268101      2.443640      7.651882
  N      -1.861289      3.047437      6.337266
  C      -1.056872      2.079637      5.525042
  C      -1.962487      1.026966      4.881908
  C      -1.076226      4.308668      6.563144
  C      -1.374550      5.279810      5.419816
  N      -2.811469      5.345789      5.256461
  H      -1.455559      0.596330      3.996705
  H      -2.138423      0.184462      5.583705
  H      -0.579190      2.672135      4.731655
  H      -0.269275      1.630986      6.156406
  H      -0.928486      6.268143      5.635910
  H      -0.915622      4.910089      4.486368
  H      -1.437038      4.744892      7.505133
  H      -0.009504      4.055093      6.684307
  H      -3.993407      2.570813      8.929926
  H      -3.293768      4.149184      8.515314
  H      -2.489946      1.383288      7.464508
  H      -1.431551      2.509039      8.368565
  C      -4.235050      1.073453      3.763922
  C      -4.823282     -0.254617      4.250752
  C      -6.176259     -0.517817      3.551773
  C      -6.132252     -0.210843      2.078176
  N      -6.576571      1.002724      1.709406
  C      -6.494985      1.331064      0.404223
  N      -6.022278      0.592329     -0.592405
  C      -5.578337     -0.658138     -0.246957
  C      -5.071314     -1.516595     -1.251604
  C      -4.614537     -2.787044     -0.928862
  C      -4.650738     -3.243911      0.404550
  C      -5.143222     -2.426646      1.409969
  C      -5.614937     -1.121223      1.111161
  C      -3.493110      6.370923      6.050010
  C      -3.580967      7.728248      5.332521
  C      -4.230168      7.633223      3.948900
  C      -5.670276      7.174234      3.972373
  N      -6.375925      7.382843      5.089584
  C      -7.656405      6.951127      5.102715
  N      -8.307087      6.296162      4.153043
  C      -7.615191      6.078400      2.992663
  C      -8.235196      5.372209      1.932307
  C      -7.579404      5.198577      0.721454
  C      -6.294699      5.731874      0.530456
  C      -5.647749      6.400233      1.566374
  C      -6.277766      6.560292      2.830467
  C      -5.835973      2.972703      7.207256
  C      -6.681510      4.244410      7.141100
  C      -8.192328      4.020117      7.227569
  C      -8.848157      3.490803      5.974819
  N      -8.076634      3.080211      4.982928
  C      -8.684671      2.639784      3.843010
  N      -9.979684      2.595939      3.590870
  C     -10.801756      3.010134      4.601547
  C     -12.205773      2.988890      4.396119
  C     -13.058904      3.388629      5.402389
  C     -12.544936      3.823413      6.648078
  C     -11.180029      3.858457      6.869958
  C     -10.278622      3.458777      5.852921
  H      -3.927704      0.926686      2.705144
  H      -5.089221      1.790924      3.714719
  H      -4.971469     -0.231773      5.342419
  H      -4.116820     -1.070999      4.032409
  H      -6.490694     -1.555339      3.735058
  H      -6.938290      0.138489      3.993622
  H      -6.868305      2.333026      0.154146
  H      -5.055290     -1.148893     -2.278706
  H      -4.228304     -3.440194     -1.715050
  H      -4.292645     -4.247446      0.645166
  H      -5.173620     -2.787312      2.438171
  H      -4.520692      6.033023      6.256551
  H      -3.006197      6.497668      7.035901
  H      -2.572107      8.161496      5.233190
  H      -4.169398      8.412103      5.962628
  H      -4.180408      8.611035      3.436457
  H      -3.631462      6.941860      3.333372
  H      -8.208818      7.155447      6.026175
  H      -9.240754      4.984055      2.094661
  H      -8.069629      4.659737     -0.092194
  H      -5.808853      5.622879     -0.441682
  H      -4.657351      6.827009      1.402058
  H      -5.957712      2.493665      8.197760
  H      -6.218171      2.265039      6.453154
  H      -6.380125      4.930044      7.951649
  H      -6.450811      4.753507      6.191796
  H      -8.438700      3.336234      8.065271
  H      -8.690610      4.969365      7.486769
  H      -8.002839      2.284957      3.063701
  H     -12.576152      2.647112      3.428067
  H     -14.139164      3.371290      5.240479
  H     -13.233056      4.135935      7.434548
  H     -10.796580      4.199101      7.833071
  N      -3.896946      3.995814      2.800953
  H      -4.557876      4.735410      2.532330
  H      -4.126242      3.193205      2.201200
  H      -2.970357      4.323396      2.519372
99
Coordinates from ORCA-job orca E -6204.894970988241
  N      -3.170735      1.697387      4.532064
  Mo     -3.654842      3.506032      5.135530
  N      -4.429418      3.233650      6.933833
  C      -3.552406      3.143655      8.104268
  C      -2.279150      2.446925      7.671373
  N      -1.855078      3.046400      6.366997
  C      -1.053751      2.072959      5.561243
  C      -1.956176      1.029332      4.900801
  C      -1.071055      4.302675      6.593088
  C      -1.341368      5.267249      5.438583
  N      -2.771665      5.349075      5.242111
  H      -1.431276      0.597645      4.026163
  H      -2.151888      0.186719      5.598039
  H      -0.560955      2.663889      4.775618
  H      -0.278563      1.613227      6.199319
  H      -0.892134      6.253598      5.655697
  H      -0.868554      4.885474      4.517007
  H      -1.446957      4.746068      7.526246
  H      -0.007376      4.044782      6.732624
  H      -4.029090      2.565295      8.916238
  H      -3.326419      4.149282      8.515059
  H      -2.495948      1.385239      7.480678
  H      -1.453404      2.515522      8.400013
  C      -4.211590      1.049102      3.757823
  C      -4.786938     -0.280700      4.251746
  C      -6.139444     -0.552788      3.553456
  C      -6.107240     -0.234484      2.081540
  N      -6.566076      0.977392      1.725456
  C      -6.497198      1.319605      0.423410
  N      -6.024836      0.595593     -0.582458
  C      -5.566860     -0.653461     -0.251479
  C      -5.059556     -1.497448     -1.266579
  C      -4.588332     -2.765868     -0.959031
  C      -4.609130     -3.234869      0.370849
  C      -5.101269     -2.431793      1.386369
  C      -5.588782     -1.129587      1.102142
  C      -3.452774      6.386893      6.022750
  C      -3.538199      7.739089      5.292685
  C      -4.212702      7.636752      3.921166
  C      -5.657597      7.192218      3.971635
  N      -6.341915      7.412402      5.099390
  C      -7.623984      6.980665      5.141831
  N      -8.292668      6.315053      4.211773
  C      -7.624049      6.091484      3.037595
  C      -8.263870      5.377617      1.993581
  C      -7.631514      5.195243      0.770753
  C      -6.349995      5.727865      0.550279
  C      -5.684256      6.403462      1.568920
  C      -6.290403      6.572951      2.845532
  C      -5.842384      2.967021      7.185482
  C      -6.682234      4.242111      7.110941
  C      -8.195002      4.027348      7.197934
  C      -8.858680      3.489018      5.953663
  N      -8.094989      3.052924      4.966668
  C      -8.711263      2.598931      3.836353
  N     -10.008141      2.563173      3.588992
  C     -10.821604      3.004182      4.595151
  C     -12.226889      2.996100      4.392249
  C     -13.073265      3.423308      5.392860
  C     -12.551158      3.872379      6.630436
  C     -11.184868      3.895007      6.849365
  C     -10.290778      3.469058      5.837127
  H      -3.899919      0.902057      2.700615
  H      -5.069277      1.750897      3.705090
  H      -4.939277     -0.257972      5.342827
  H      -4.073728     -1.092060      4.036988
  H      -6.444098     -1.593957      3.733649
  H      -6.905586      0.095796      4.000246
  H      -6.882851      2.320585      0.185604
  H      -5.054682     -1.120098     -2.289997
  H      -4.202097     -3.407874     -1.753073
  H      -4.238841     -4.236513      0.599589
  H      -5.118916     -2.800969      2.411832
  H      -4.484176      6.060312      6.234328
  H      -2.965629      6.515745      7.007833
  H      -2.526978      8.162185      5.175421
  H      -4.113815      8.434404      5.922422
  H      -4.163242      8.608479      3.397090
  H      -3.631935      6.931779      3.303582
  H      -8.158995      7.193384      6.073609
  H      -9.266487      4.990352      2.178674
  H      -8.137306      4.650147     -0.029683
  H      -5.884289      5.610877     -0.432111
  H      -4.695550      6.827364      1.382748
  H      -5.970078      2.487552      8.175082
  H      -6.219455      2.259827      6.428133
  H      -6.379562      4.930876      7.918834
  H      -6.442004      4.740666      6.158380
  H      -8.444063      3.351426      8.041914
  H      -8.687059      4.982137      7.449061
  H      -8.034421      2.225790      3.061637
  H     -12.603426      2.642259      3.430627
  H     -14.153885      3.416803      5.232398
  H     -13.234256      4.205992      7.412627
  H     -10.795085      4.247139      7.806197
  N      -4.011493      3.989343      2.804866
  H      -4.686033      4.717153      2.546234
  H      -4.240994      3.185255      2.209593
  H      -3.092913      4.330054      2.515307
99
Coordinates from ORCA-job orca E -6204.897109109929
  N      -3.149951      1.699372      4.524488
  Mo     -3.634864      3.505566      5.134692
  N      -4.434511      3.229551      6.918036
  C      -3.572563      3.139976      8.095674
  C      -2.289711      2.447362      7.685040
  N      -1.846806      3.043523      6.391819
  C      -1.045870      2.068095      5.591630
  C      -1.944947      1.031492      4.917768
  C      -1.065511      4.294972      6.618023
  C      -1.309590      5.251807      5.450209
  N      -2.734561      5.346493      5.226499
  H      -1.401515      0.596230      4.055076
  H      -2.158689      0.189948      5.611728
  H      -0.539866      2.657788      4.813602
  H      -0.280997      1.597866      6.234329
  H      -0.856632      6.236241      5.668524
  H      -0.822194      4.859000      4.540853
  H      -1.454080      4.747839      7.541708
  H      -0.003084      4.038455      6.773650
  H      -4.062119      2.559631      8.898881
  H      -3.355960      4.146879      8.510035
  H      -2.502823      1.384794      7.493451
  H      -1.477826      2.518659      8.428931
  C      -4.180306      1.026246      3.750517
  C      -4.733042     -0.308953      4.254062
  C      -6.088282     -0.600010      3.565530
  C      -6.081921     -0.270449      2.095358
  N      -6.567192      0.935612      1.755718
  C      -6.523156      1.291231      0.455747
  N      -6.052218      0.585871     -0.561566
  C      -5.568139     -0.658538     -0.248804
  C      -5.060327     -1.483155     -1.277810
  C      -4.562379     -2.745336     -0.988863
  C      -4.555690     -3.226416      0.337029
  C      -5.047526     -2.442080      1.366100
  C      -5.562611     -1.147161      1.100189
  C      -3.413128      6.395018      5.995938
  C      -3.500841      7.743186      5.258789
  C      -4.205111      7.635890      3.902785
  C      -5.652660      7.206342      3.984382
  N      -6.312503      7.437215      5.124544
  C      -7.595202      7.007587      5.199181
  N      -8.285473      6.333510      4.291675
  C      -7.642970      6.103055      3.102682
  C      -8.304260      5.381454      2.078879
  C      -7.698442      5.191457      0.843385
  C      -6.421350      5.723715      0.589296
  C      -5.734320      6.406034      1.587273
  C      -6.313288      6.583863      2.876334
  C      -5.850132      2.966063      7.150958
  C      -6.683862      4.246362      7.064068
  C      -8.197522      4.041981      7.149905
  C      -8.867280      3.497644      5.912474
  N      -8.111548      3.038900      4.928794
  C      -8.736010      2.576685      3.807250
  N     -10.033761      2.551976      3.564182
  C     -10.838309      3.016432      4.567023
  C     -12.244123      3.021848      4.368963
  C     -13.082317      3.471814      5.366887
  C     -12.551261      3.930569      6.596704
  C     -11.184615      3.940591      6.810871
  C     -10.299303      3.491893      5.801056
  H      -3.863367      0.881330      2.694272
  H      -5.043124      1.711325      3.697327
  H      -4.883613     -0.284968      5.345298
  H      -4.010315     -1.111876      4.039444
  H      -6.374426     -1.647379      3.743210
  H      -6.859491      0.035686      4.023601
  H      -6.929986      2.287577      0.231946
  H      -5.076293     -1.095699     -2.297167
  H      -4.175460     -3.373465     -1.792720
  H      -4.163523     -4.222909      0.550560
  H      -5.042759     -2.819857      2.388755
  H      -4.446407      6.077446      6.215293
  H      -2.921464      6.528314      6.978228
  H      -2.489071      8.157001      5.117382
  H      -4.059572      8.447063      5.894371
  H      -4.156467      8.603003      3.370064
  H      -3.646527      6.918642      3.279409
  H      -8.110045      7.227859      6.140409
  H      -9.302659      4.994748      2.289360
  H      -8.220714      4.639381      0.058808
  H      -5.975698      5.596663     -0.401299
  H      -4.748249      6.826000      1.376894
  H      -5.989880      2.488616      8.140339
  H      -6.221803      2.258359      6.391181
  H      -6.379095      4.938100      7.868387
  H      -6.432835      4.732931      6.107718
  H      -8.448781      3.372739      7.997814
  H      -8.682618      5.001854      7.393786
  H      -8.066648      2.184622      3.035289
  H     -12.628010      2.659513      3.413449
  H     -14.163215      3.475557      5.209976
  H     -13.228334      4.281565      7.376813
  H     -10.787220      4.299898      7.761753
  N      -4.115145      3.982398      2.825091
  H      -4.805001      4.698747      2.578617
  H      -4.343773      3.175421      2.236952
  H      -3.204401      4.336525      2.526380
99
Coordinates from ORCA-job orca E -6204.900076081161
  N      -3.133305      1.711350      4.521213
  Mo     -3.615617      3.510090      5.140815
  N      -4.451299      3.226919      6.891786
  C      -3.606189      3.130489      8.075920
  C      -2.313715      2.438232      7.685736
  N      -1.843166      3.036323      6.412513
  C      -1.039286      2.067072      5.614315
  C      -1.935768      1.039669      4.928972
  C      -1.066469      4.277591      6.644620
  C      -1.283571      5.226741      5.461908
  N      -2.706022      5.336335      5.219179
  H      -1.373487      0.605164      4.075182
  H      -2.160616      0.194391      5.615258
  H      -0.518561      2.658552      4.848540
  H      -0.283995      1.580243      6.256483
  H      -0.823538      6.207322      5.684367
  H      -0.778847      4.824935      4.565830
  H      -1.463267      4.743128      7.558248
  H      -0.001791      4.032035      6.812097
  H      -4.106526      2.545374      8.868786
  H      -3.394158      4.134004      8.501586
  H      -2.528878      1.377407      7.491443
  H      -1.524489      2.506022      8.454579
  C      -4.146322      1.020433      3.744094
  C      -4.673111     -0.322004      4.256427
  C      -6.033948     -0.638636      3.584749
  C      -6.065714     -0.304817      2.115380
  N      -6.590206      0.886863      1.791569
  C      -6.583480      1.249026      0.489908
  N      -6.112640      0.564870     -0.536532
  C      -5.588070     -0.668897     -0.241594
  C      -5.078044     -1.470072     -1.284475
  C      -4.540494     -2.717776     -1.012636
  C      -4.495210     -3.204832      0.310305
  C      -4.988336     -2.442463      1.353079
  C      -5.544107     -1.163006      1.104119
  C      -3.370560      6.400861      5.977759
  C      -3.450741      7.744110      5.232485
  C      -4.177883      7.632445      3.890136
  C      -5.629786      7.228766      3.979296
  N      -6.287240      7.472257      5.120411
  C      -7.574851      7.055052      5.199295
  N      -8.277166      6.383765      4.299609
  C      -7.638007      6.145341      3.106957
  C      -8.306208      5.428008      2.088749
  C      -7.697081      5.223115      0.856501
  C      -6.409015      5.737507      0.598291
  C      -5.717169      6.420329      1.588882
  C      -6.299499      6.612286      2.874619
  C      -5.871156      2.970789      7.096731
  C      -6.704168      4.255305      7.012368
  C      -8.215110      4.050077      7.102496
  C      -8.896502      3.497136      5.876155
  N      -8.156334      3.020883      4.884128
  C      -8.798529      2.544055      3.781503
  N     -10.099526      2.515248      3.561570
  C     -10.886544      2.997349      4.571628
  C     -12.293978      3.002120      4.401567
  C     -13.112972      3.469289      5.409966
  C     -12.560493      3.945662      6.622041
  C     -11.192411      3.957687      6.809936
  C     -10.327279      3.492374      5.789200
  H      -3.818525      0.885351      2.688154
  H      -5.010001      1.692189      3.695435
  H      -4.819617     -0.293441      5.347781
  H      -3.940437     -1.115438      4.039814
  H      -6.296080     -1.693219      3.762273
  H      -6.808183     -0.015499      4.057225
  H      -7.022924      2.233556      0.276158
  H      -5.124672     -1.075788     -2.300148
  H      -4.150795     -3.331502     -1.824149
  H      -4.070589     -4.190095      0.508299
  H      -4.951902     -2.824436      2.374409
  H      -4.405499      6.099626      6.211566
  H      -2.867303      6.543795      6.954140
  H      -2.436230      8.138730      5.061484
  H      -3.983436      8.462866      5.873500
  H      -4.117126      8.594144      3.348596
  H      -3.642354      6.898366      3.267658
  H      -8.087181      7.279178      6.141173
  H      -9.310532      5.054288      2.300334
  H      -8.223372      4.670020      0.076035
  H      -5.955022      5.591508     -0.384721
  H      -4.723085      6.822852      1.377659
  H      -6.026098      2.486352      8.081709
  H      -6.239774      2.269586      6.330134
  H      -6.395685      4.939832      7.818690
  H      -6.445805      4.740146      6.058118
  H      -8.454773      3.383287      7.951615
  H      -8.697992      5.010137      7.343777
  H      -8.147671      2.134586      3.000482
  H     -12.696550      2.625441      3.459379
  H     -14.195565      3.472043      5.274025
  H     -13.223216      4.309063      7.410134
  H     -10.775328      4.329928      7.746925
  N      -4.211084      3.989375      2.876879
  H      -4.915282      4.699568      2.651634
  H      -4.442505      3.180359      2.300039
  H      -3.308399      4.355565      2.566855
99
Coordinates from ORCA-job orca E -6204.903126807231
  N      -3.110180      1.713823      4.508860
  Mo     -3.589619      3.508322      5.145609
  N      -4.455874      3.228463      6.872692
  C      -3.628130      3.127453      8.071426
  C      -2.331488      2.429639      7.698155
  N      -1.838325      3.026740      6.431613
  C      -1.028191      2.057087      5.640518
  C      -1.920054      1.034641      4.941681
  C      -1.060368      4.266475      6.668979
  C      -1.252464      5.204682      5.469426
  N      -2.672804      5.323627      5.200073
  H      -1.343001      0.595661      4.099735
  H      -2.158069      0.190343      5.624055
  H      -0.491908      2.646081      4.884311
  H      -0.283517      1.562766      6.289566
  H      -0.787326      6.183474      5.690266
  H      -0.731057      4.791471      4.588318
  H      -1.467694      4.745290      7.570823
  H       0.002288      4.023833      6.855275
  H      -4.139230      2.545276      8.858465
  H      -3.416136      4.128152      8.501239
  H      -2.547594      1.369582      7.505457
  H      -1.558358      2.495944      8.483632
  C      -4.110223      1.004851      3.737074
  C      -4.610592     -0.346946      4.252598
  C      -5.975474     -0.682073      3.596784
  C      -6.035516     -0.332838      2.131883
  N      -6.586473      0.851210      1.830196
  C      -6.605647      1.227291      0.530394
  N      -6.137848      0.563615     -0.509818
  C      -5.587185     -0.664299     -0.236959
  C      -5.077788     -1.443340     -1.297246
  C      -4.512876     -2.682776     -1.046818
  C      -4.438658     -3.183034      0.270429
  C      -4.930518     -2.442607      1.329434
  C      -5.513988     -1.171252      1.102969
  C      -3.338321      6.397720      5.941983
  C      -3.419712      7.734761      5.189764
  C      -4.171526      7.616296      3.863020
  C      -5.625340      7.233976      3.987533
  N      -6.255237      7.498524      5.139851
  C      -7.542402      7.093492      5.252164
  N      -8.269150      6.412659      4.380642
  C      -7.659614      6.153121      3.177149
  C      -8.352236      5.421584      2.187850
  C      -7.772047      5.197843      0.945445
  C      -6.489430      5.705093      0.649785
  C      -5.772718      6.400010      1.612477
  C      -6.324863      6.611927      2.906428
  C      -5.884532      2.985948      7.050006
  C      -6.711156      4.275803      6.952926
  C      -8.222031      4.079249      7.045135
  C      -8.911107      3.517272      5.827876
  N      -8.178728      3.021737      4.837905
  C      -8.829254      2.533498      3.747365
  N     -10.131774      2.510357      3.535313
  C     -10.911207      3.012691      4.542361
  C     -12.318881      3.024964      4.382675
  C     -13.128396      3.511087      5.391032
  C     -12.565782      3.999502      6.592158
  C     -11.196988      4.005412      6.769954
  C     -10.341283      3.520648      5.749565
  H      -3.780918      0.873027      2.680294
  H      -4.985361      1.663654      3.692000
  H      -4.746668     -0.319845      5.345385
  H      -3.871756     -1.132260      4.027655
  H      -6.217414     -1.742760      3.765275
  H      -6.752366     -0.076451      4.087015
  H      -7.065039      2.205774      0.333254
  H      -5.146922     -1.038335     -2.307856
  H      -4.122691     -3.280816     -1.870561
  H      -3.991837     -4.161898      0.450408
  H      -4.870489     -2.834341      2.346298
  H      -4.371988      6.098754      6.181831
  H      -2.832839      6.555352      6.915458
  H      -2.405694      8.119192      4.994714
  H      -3.933350      8.462919      5.835890
  H      -4.107598      8.570751      3.309303
  H      -3.658891      6.867909      3.238730
  H      -8.031419      7.333062      6.202363
  H      -9.351720      5.053206      2.427812
  H      -8.316199      4.632897      0.186865
  H      -6.052652      5.539333     -0.335664
  H      -4.781549      6.791949      1.373879
  H      -6.059245      2.505772      8.033551
  H      -6.247952      2.286213      6.280351
  H      -6.399094      4.961897      7.755151
  H      -6.447623      4.754158      5.996948
  H      -8.459925      3.420398      7.899608
  H      -8.698931      5.042892      7.280502
  H      -8.186942      2.103471      2.969205
  H     -12.730242      2.638224      3.448963
  H     -14.211848      3.518979      5.263090
  H     -13.220948      4.377319      7.380286
  H     -10.771086      4.386498      7.698536
  N      -4.285799      3.985273      2.932875
  H      -5.003395      4.690385      2.719785
  H      -4.519122      3.168844      2.366219
  H      -3.389928      4.359019      2.604245
99
Coordinates from ORCA-job orca E -6204.906302708588
  N      -3.093763      1.705312      4.501053
  Mo     -3.569145      3.501152      5.155776
  N      -4.469868      3.232863      6.859326
  C      -3.658115      3.123549      8.077582
  C      -2.362446      2.410416      7.714522
  N      -1.840777      3.006733      6.449074
  C      -1.020551      2.034201      5.667270
  C      -1.906162      1.014708      4.956178
  C      -1.055421      4.249832      6.694970
  C      -1.223797      5.173153      5.476937
  N      -2.644457      5.300130      5.180924
  H      -1.322532      0.571617      4.122953
  H      -2.152283      0.171895      5.634727
  H      -0.467886      2.619031      4.920496
  H      -0.285970      1.537899      6.326504
  H      -0.753648      6.150695      5.691915
  H      -0.686570      4.748069      4.612211
  H      -1.472539      4.743800      7.583453
  H       0.002443      4.006287      6.902919
  H      -4.179104      2.548331      8.861798
  H      -3.438805      4.118710      8.510924
  H      -2.582952      1.352602      7.520742
  H      -1.604777      2.470754      8.515520
  C      -4.078747      0.988635      3.732655
  C      -4.564218     -0.370546      4.244135
  C      -5.932607     -0.708356      3.599418
  C      -6.007406     -0.338105      2.140485
  N      -6.574675      0.841125      1.861203
  C      -6.608724      1.232628      0.562862
  N      -6.140704      0.586855     -0.490562
  C      -5.573342     -0.637432     -0.237430
  C      -5.062520     -1.397008     -1.314682
  C      -4.480726     -2.631507     -1.083074
  C      -4.390156     -3.147353      0.228301
  C      -4.882763     -2.426981      1.301752
  C      -5.483538     -1.159182      1.096282
  C      -3.312285      6.387532      5.900976
  C      -3.385416      7.714987      5.133505
  C      -4.150733      7.593512      3.815796
  C      -5.611001      7.245921      3.966234
  N      -6.219027      7.543617      5.123422
  C      -7.509107      7.169806      5.256638
  N      -8.261009      6.488608      4.405575
  C      -7.675777      6.194267      3.200787
  C      -8.395721      5.453988      2.237197
  C      -7.833865      5.188251      0.995038
  C      -6.546845      5.661499      0.675783
  C      -5.805002      6.368725      1.612573
  C      -6.336621      6.622264      2.904782
  C      -5.909804      3.013130      7.011563
  C      -6.724169      4.309586      6.914402
  C      -8.234268      4.118802      7.013810
  C      -8.928961      3.542341      5.807379
  N      -8.199355      3.032159      4.822503
  C      -8.854106      2.517915      3.748895
  N     -10.159140      2.476508      3.548400
  C     -10.937198      2.994519      4.548771
  C     -12.345793      2.989240      4.403553
  C     -13.151017      3.490361      5.408381
  C     -12.582485      4.011448      6.591215
  C     -11.211137      4.035015      6.754896
  C     -10.359316      3.535242      5.738594
  H      -3.746946      0.855977      2.676620
  H      -4.967386      1.643489      3.688669
  H      -4.690433     -0.345121      5.338280
  H      -3.826495     -1.154309      4.010868
  H      -6.167132     -1.772147      3.752377
  H      -6.707156     -0.116096      4.106760
  H      -7.081152      2.207817      0.382844
  H      -5.145132     -0.980465     -2.320254
  H      -4.089343     -3.215171     -1.918662
  H      -3.929900     -4.123273      0.392394
  H      -4.809748     -2.831017      2.313119
  H      -4.343541      6.089063      6.147591
  H      -2.807348      6.568208      6.871080
  H      -2.367780      8.081962      4.922478
  H      -3.879361      8.458155      5.777760
  H      -4.072143      8.538414      3.247223
  H      -3.658066      6.828327      3.195524
  H      -7.979311      7.434091      6.209713
  H      -9.398641      5.111102      2.495581
  H      -8.396812      4.614221      0.257219
  H      -6.115838      5.457663     -0.302727
  H      -4.808712      6.731093      1.355322
  H      -6.104229      2.532865      7.990489
  H      -6.271888      2.322245      6.234880
  H      -6.405128      4.991764      7.716877
  H      -6.464557      4.793975      5.961394
  H      -8.466806      3.468303      7.876657
  H      -8.707892      5.084868      7.244209
  H      -8.213786      2.076734      2.975913
  H     -12.762567      2.576993      3.483810
  H     -14.236374      3.484343      5.291387
  H     -13.233034      4.400311      7.376954
  H     -10.780432      4.440483      7.670048
  N      -4.339725      3.978873      3.009372
  H      -5.065333      4.684101      2.805573
  H      -4.579817      3.152977      2.453077
  H      -3.454689      4.357643      2.648911
99
Coordinates from ORCA-job orca E -6204.908942028037
  N      -3.073139      1.703617      4.491149
  Mo     -3.550382      3.497747      5.161519
  N      -4.478896      3.233657      6.849694
  C      -3.681964      3.119435      8.079092
  C      -2.383690      2.403405      7.733980
  N      -1.841739      2.998385      6.475986
  C      -1.015279      2.023509      5.703321
  C      -1.893882      1.009682      4.973127
  C      -1.057780      4.242619      6.729409
  C      -1.197591      5.156283      5.499949
  N      -2.610880      5.290609      5.167285
  H      -1.297805      0.563638      4.150927
  H      -2.157415      0.168068      5.646347
  H      -0.447467      2.607679      4.966719
  H      -0.292367      1.523122      6.372656
  H      -0.727266      6.133443      5.715484
  H      -0.643417      4.722432      4.650622
  H      -1.492081      4.743133      7.605869
  H      -0.005780      3.996957      6.961864
  H      -4.215691      2.545828      8.856239
  H      -3.465201      4.113825      8.515140
  H      -2.601451      1.345836      7.534856
  H      -1.638453      2.462074      8.546765
  C      -4.049229      0.972003      3.719662
  C      -4.519894     -0.393151      4.228718
  C      -5.890354     -0.736542      3.590139
  C      -5.981417     -0.350963      2.135795
  N      -6.563387      0.824628      1.873044
  C      -6.613423      1.228027      0.578636
  N      -6.149266      0.596176     -0.485057
  C      -5.566887     -0.623744     -0.248068
  C      -5.058750     -1.368703     -1.337634
  C      -4.461603     -2.598577     -1.122788
  C      -4.352893     -3.125364      0.183105
  C      -4.842921     -2.419914      1.267423
  C      -5.458565     -1.156531      1.079152
  C      -3.287640      6.387246      5.868538
  C      -3.356724      7.705190      5.084303
  C      -4.138263      7.573818      3.776822
  C      -5.601903      7.248051      3.955001
  N      -6.185787      7.571181      5.118039
  C      -7.478169      7.217392      5.278666
  N      -8.253870      6.533309      4.449588
  C      -7.693226      6.212123      3.240546
  C      -8.439149      5.463791      2.301451
  C      -7.902277      5.167091      1.055389
  C      -6.615233      5.615807      0.707696
  C      -5.847728      6.331040      1.619530
  C      -6.354052      6.617521      2.915396
  C      -5.922758      3.029430      6.985872
  C      -6.721411      4.333440      6.883158
  C      -8.232940      4.154902      6.990099
  C      -8.931666      3.562988      5.793799
  N      -8.203148      3.032302      4.819122
  C      -8.859602      2.494188      3.757664
  N     -10.165362      2.446048      3.559549
  C     -10.942161      2.987688      4.548451
  C     -12.351069      2.977615      4.404804
  C     -13.155754      3.501889      5.397929
  C     -12.586095      4.051751      6.567487
  C     -11.213869      4.079977      6.729373
  C     -10.362659      3.556644      5.724925
  H      -3.714657      0.840903      2.664369
  H      -4.947305      1.613297      3.675933
  H      -4.641459     -0.371983      5.323624
  H      -3.778592     -1.171803      3.990160
  H      -6.114625     -1.803937      3.732488
  H      -6.666341     -0.157110      4.110139
  H      -7.098212      2.199669      0.413260
  H      -5.155817     -0.944272     -2.338407
  H      -4.072678     -3.170436     -1.967542
  H      -3.881139     -4.097828      0.334082
  H      -4.756297     -2.832413      2.274142
  H      -4.319824      6.089990      6.114876
  H      -2.789196      6.580627      6.839245
  H      -2.337282      8.059943      4.860213
  H      -3.837697      8.461251      5.723116
  H      -4.055220      8.508187      3.191553
  H      -3.661778      6.793920      3.161526
  H      -7.927232      7.500366      6.236525
  H      -9.442230      5.139964      2.581413
  H      -8.485445      4.586448      0.338110
  H      -6.200766      5.384472     -0.272133
  H      -4.850739      6.673466      1.339923
  H      -6.131420      2.550042      7.962321
  H      -6.282374      2.343213      6.204412
  H      -6.394213      5.017579      7.682028
  H      -6.461560      4.813492      5.927547
  H      -8.467008      3.516563      7.863112
  H      -8.700276      5.126727      7.210159
  H      -8.217846      2.037629      2.995224
  H     -12.768839      2.543063      3.495586
  H     -14.241247      3.492060      5.281793
  H     -13.235615      4.458807      7.344476
  H     -10.782868      4.507563      7.634589
  N      -4.418591      3.975641      3.069826
  H      -5.153904      4.673298      2.877758
  H      -4.663862      3.147143      2.517559
  H      -3.548168      4.361923      2.682791
99
Coordinates from ORCA-job orca E -6204.911446090933
  N      -3.056542      1.689010      4.486698
  Mo     -3.541630      3.481994      5.177695
  N      -4.491481      3.228522      6.861257
  C      -3.696905      3.111592      8.095134
  C      -2.400521      2.389317      7.751658
  N      -1.844648      2.982069      6.494445
  C      -1.008715      2.006798      5.728931
  C      -1.878990      0.994664      4.985296
  C      -1.064684      4.236383      6.753953
  C      -1.189041      5.141296      5.518396
  N      -2.597269      5.274247      5.157516
  H      -1.283364      0.547824      4.165510
  H      -2.152563      0.154263      5.655612
  H      -0.434057      2.592736      4.998122
  H      -0.290253      1.512865      6.408256
  H      -0.724496      6.121591      5.731943
  H      -0.621932      4.706021      4.679768
  H      -1.515438      4.737080      7.621750
  H      -0.019049      3.987880      7.006673
  H      -4.235311      2.541481      8.872395
  H      -3.476929      4.106021      8.530332
  H      -2.614809      1.331903      7.543737
  H      -1.658403      2.445396      8.567470
  C      -4.026749      0.952063      3.704011
  C      -4.488314     -0.419240      4.204325
  C      -5.864200     -0.760237      3.572388
  C      -5.971156     -0.358694      2.123673
  N      -6.556936      0.818309      1.874551
  C      -6.612370      1.234109      0.585596
  N      -6.149710      0.612583     -0.486879
  C      -5.561909     -0.605544     -0.261376
  C      -5.050827     -1.338560     -1.360570
  C      -4.443802     -2.566741     -1.159484
  C      -4.328496     -3.105902      0.140236
  C      -4.821986     -2.413047      1.232605
  C      -5.446994     -1.151242      1.058865
  C      -3.288593      6.380313      5.838828
  C      -3.346467      7.690380      5.038061
  C      -4.130298      7.561665      3.730986
  C      -5.601036      7.261920      3.924079
  N      -6.166075      7.609526      5.089459
  C      -7.462658      7.285474      5.267726
  N      -8.259893      6.606804      4.450324
  C      -7.715919      6.252374      3.245923
  C      -8.483124      5.492454      2.329030
  C      -7.962641      5.148473      1.089331
  C      -6.671880      5.559036      0.724848
  C      -5.884838      6.289552      1.610928
  C      -6.373833      6.624863      2.902240
  C      -5.937353      3.044280      6.994417
  C      -6.713409      4.358299      6.890675
  C      -8.227316      4.194364      7.004684
  C      -8.919528      3.592834      5.809850
  N      -8.180451      3.056806      4.848133
  C      -8.827387      2.500807      3.788055
  N     -10.130909      2.432999      3.582116
  C     -10.918288      2.983771      4.556467
  C     -12.326052      2.954614      4.404011
  C     -13.143094      3.488752      5.379944
  C     -12.586437      4.068898      6.541353
  C     -11.214360      4.114265      6.711819
  C     -10.350802      3.579221      5.725973
  H      -3.691849      0.821781      2.649453
  H      -4.932821      1.582564      3.662763
  H      -4.601900     -0.403500      5.300295
  H      -3.746247     -1.194546      3.958109
  H      -6.084342     -1.829947      3.700889
  H      -6.638819     -0.192779      4.108511
  H      -7.100335      2.205810      0.435016
  H      -5.152710     -0.905271     -2.356727
  H      -4.053043     -3.126739     -2.011959
  H      -3.850097     -4.076870      0.281367
  H      -4.730935     -2.836363      2.233751
  H      -4.320393      6.079311      6.082345
  H      -2.801212      6.586857      6.811572
  H      -2.321354      8.030592      4.815993
  H      -3.819217      8.457508      5.669121
  H      -4.033187      8.488177      3.135955
  H      -3.664166      6.772711      3.118654
  H      -7.892490      7.585454      6.229196
  H      -9.488990      5.195688      2.623101
  H      -8.561976      4.556868      0.394278
  H      -6.263227      5.281617     -0.246431
  H      -4.883344      6.602261      1.315669
  H      -6.156159      2.565715      7.968920
  H      -6.297271      2.362390      6.208582
  H      -6.373800      5.043244      7.687848
  H      -6.463549      4.843791      5.933044
  H      -8.468041      3.565781      7.886367
  H      -8.688944      5.172150      7.216271
  H      -8.172276      2.047811      3.038056
  H     -12.733383      2.497946      3.500904
  H     -14.227579      3.463940      5.256812
  H     -13.243837      4.484766      7.305495
  H     -10.795723      4.565192      7.611782
  N      -4.480434      3.961596      3.150671
  H      -5.226849      4.649459      2.975079
  H      -4.736301      3.133568      2.599992
  H      -3.643124      4.362131      2.708633
99
Coordinates from ORCA-job orca E -6204.913639577768
  N      -3.033146      1.679718      4.486985
  Mo     -3.527465      3.467183      5.189094
  N      -4.497306      3.219682      6.860779
  C      -3.711929      3.103606      8.096684
  C      -2.409751      2.386369      7.768818
  N      -1.842157      2.976165      6.520654
  C      -1.001342      2.000849      5.763906
  C      -1.863472      0.990905      5.007534
  C      -1.072232      4.232165      6.780656
  C      -1.173517      5.123943      5.535249
  N      -2.572299      5.258715      5.140347
  H      -1.252108      0.543796      4.198497
  H      -2.150173      0.150641      5.673204
  H      -0.417061      2.586623      5.041047
  H      -0.291721      1.503833      6.449607
  H      -0.711094      6.105650      5.746760
  H      -0.590527      4.678909      4.712226
  H      -1.540774      4.738630      7.635884
  H      -0.030024      3.988931      7.054537
  H      -4.258239      2.531296      8.866911
  H      -3.499415      4.099133      8.534456
  H      -2.619202      1.328183      7.558619
  H      -1.676839      2.445017      8.592969
  C      -3.989294      0.924648      3.697150
  C      -4.432012     -0.452756      4.197399
  C      -5.809932     -0.805339      3.573104
  C      -5.941337     -0.388374      2.130835
  N      -6.545444      0.784881      1.904029
  C      -6.622125      1.218266      0.622584
  N      -6.163809      0.618921     -0.463159
  C      -5.556842     -0.594509     -0.261828
  C      -5.049162     -1.304182     -1.375777
  C      -4.422815     -2.526459     -1.199468
  C      -4.284632     -3.082368      0.090774
  C      -4.774463     -2.412384      1.197793
  C      -5.419410     -1.157865      1.048995
  C      -3.269546      6.376264      5.798967
  C      -3.324134      7.677472      4.983864
  C      -4.131759      7.543664      3.692364
  C      -5.603150      7.267650      3.912570
  N      -6.143120      7.632399      5.083993
  C      -7.440935      7.325517      5.290946
  N      -8.262628      6.650896      4.495499
  C      -7.742905      6.276644      3.285643
  C      -8.534006      5.514531      2.392376
  C      -8.037795      5.144895      1.150405
  C      -6.745263      5.530763      0.759701
  C      -5.936218      6.263901      1.620607
  C      -6.401584      6.627369      2.913383
  C      -5.944704      3.047771      6.979136
  C      -6.709492      4.368771      6.868138
  C      -8.225368      4.219124      6.976812
  C      -8.919767      3.611819      5.785413
  N      -8.184948      3.060082      4.827599
  C      -8.836303      2.494120      3.774411
  N     -10.140306      2.428344      3.572509
  C     -10.922503      2.997252      4.541685
  C     -12.330639      2.973790      4.391827
  C     -13.143338      3.527801      5.361213
  C     -12.581813      4.122795      6.513246
  C     -11.209611      4.162428      6.681238
  C     -10.350965      3.606982      5.702044
  H      -3.648280      0.801139      2.644370
  H      -4.903393      1.537024      3.656200
  H      -4.542696     -0.442115      5.293603
  H      -3.682264     -1.218740      3.945892
  H      -6.013361     -1.879618      3.691948
  H      -6.586420     -0.253833      4.123567
  H      -7.125826      2.185454      0.491005
  H      -5.168726     -0.857750     -2.364030
  H      -4.034333     -3.068381     -2.063314
  H      -3.790931     -4.048033      0.212467
  H      -4.665791     -2.848849      2.191722
  H      -4.303461      6.081118      6.042097
  H      -2.786393      6.591765      6.771769
  H      -2.298717      8.003353      4.743530
  H      -3.779728      8.456953      5.612550
  H      -4.031076      8.461336      3.084530
  H      -3.688746      6.740553      3.081627
  H      -7.849157      7.638558      6.257413
  H      -9.539799      5.236545      2.706989
  H      -8.655800      4.550158      0.474859
  H      -6.353941      5.228956     -0.210937
  H      -4.933880      6.555909      1.305437
  H      -6.177758      2.568193      7.949737
  H      -6.300840      2.370458      6.188213
  H      -6.366790      5.051760      7.663948
  H      -6.452901      4.849681      5.911087
  H      -8.474260      3.601439      7.862663
  H      -8.679130      5.202623      7.176898
  H      -8.184300      2.028510      3.028152
  H     -12.741949      2.505959      3.495751
  H     -14.227890      3.507239      5.239754
  H     -13.235621      4.554835      7.272124
  H     -10.787013      4.625551      7.573680
  N      -4.558624      3.939048      3.210998
  H      -5.318524      4.617720      3.058469
  H      -4.824491      3.111662      2.665076
  H      -3.744362      4.350575      2.735832
99
Coordinates from ORCA-job orca E -6204.915627896590
  N      -3.016657      1.671004      4.485529
  Mo     -3.527559      3.446810      5.206578
  N      -4.500516      3.205293      6.879615
  C      -3.709610      3.088769      8.108277
  C      -2.406130      2.375915      7.776366
  N      -1.840129      2.966155      6.530497
  C      -0.994089      1.996329      5.775111
  C      -1.849732      0.987559      5.013822
  C      -1.082702      4.227767      6.788411
  C      -1.175917      5.111637      5.540511
  N      -2.569388      5.240330      5.126779
  H      -1.231460      0.543286      4.207968
  H      -2.141392      0.146407      5.676548
  H      -0.411148      2.586866      5.055534
  H      -0.284135      1.499477      6.460368
  H      -0.719831      6.096641      5.750676
  H      -0.582919      4.665445      4.724583
  H      -1.564737      4.733422      7.636886
  H      -0.041848      3.990793      7.074730
  H      -4.252404      2.512318      8.878218
  H      -3.498646      4.083887      8.548864
  H      -2.614402      1.318162      7.562349
  H      -1.671034      2.433164      8.599030
  C      -3.958563      0.905164      3.684954
  C      -4.383427     -0.480763      4.179923
  C      -5.762289     -0.843704      3.562547
  C      -5.911877     -0.415707      2.126043
  N      -6.533073      0.753360      1.914731
  C      -6.623923      1.198326      0.639880
  N      -6.163372      0.617752     -0.454797
  C      -5.538020     -0.589206     -0.270537
  C      -5.026008     -1.278695     -1.393159
  C      -4.382355     -2.494408     -1.234043
  C      -4.231767     -3.063623      0.048299
  C      -4.725255     -2.413058      1.164626
  C      -5.386666     -1.165899      1.033292
  C      -3.274092      6.362513      5.770965
  C      -3.324731      7.657309      4.946702
  C      -4.149523      7.522897      3.666773
  C      -5.620396      7.262382      3.904705
  N      -6.144386      7.642427      5.077621
  C      -7.443639      7.352022      5.303105
  N      -8.282454      6.683162      4.521199
  C      -7.776706      6.286716      3.312409
  C      -8.584643      5.521587      2.437367
  C      -8.102601      5.121129      1.200304
  C      -6.804206      5.478898      0.795365
  C      -5.981727      6.217411      1.635856
  C      -6.433867      6.614149      2.923394
  C      -5.948248      3.048578      6.997542
  C      -6.699714      4.377121      6.876627
  C      -8.219123      4.248748      6.974451
  C      -8.911535      3.637310      5.781943
  N      -8.177563      3.070209      4.830900
  C      -8.828873      2.499338      3.778615
  N     -10.131215      2.440980      3.573104
  C     -10.911971      3.031007      4.532107
  C     -12.318862      3.020522      4.374600
  C     -13.130809      3.599588      5.330852
  C     -12.569475      4.207618      6.476746
  C     -11.198944      4.233471      6.652650
  C     -10.341436      3.650851      5.687498
  H      -3.613052      0.794714      2.633990
  H      -4.883769      1.499592      3.647076
  H      -4.489829     -0.479131      5.276274
  H      -3.625948     -1.235998      3.920368
  H      -5.949466     -1.922115      3.671929
  H      -6.540938     -0.308858      4.125745
  H      -7.142265      2.159462      0.520374
  H      -5.156039     -0.822219     -2.375311
  H      -3.990406     -3.020143     -2.105342
  H      -3.725355     -4.023821      0.157070
  H      -4.607561     -2.860853      2.152466
  H      -4.309229      6.067078      6.009483
  H      -2.797379      6.582670      6.745827
  H      -2.298979      7.971523      4.694116
  H      -3.766125      8.445266      5.575097
  H      -4.045327      8.435179      3.051667
  H      -3.723495      6.711486      3.055168
  H      -7.838040      7.679120      6.270773
  H      -9.592591      5.264143      2.764706
  H      -8.733997      4.522181      0.540949
  H      -6.423359      5.149655     -0.170381
  H      -4.976700      6.488077      1.308583
  H      -6.192126      2.571094      7.966708
  H      -6.305382      2.374625      6.204677
  H      -6.352105      5.060284      7.668968
  H      -6.437621      4.851822      5.918530
  H      -8.486291      3.648111      7.865514
  H      -8.660392      5.241207      7.155407
  H      -8.177506      2.019981      3.038751
  H     -12.729683      2.543899      3.482684
  H     -14.214338      3.589296      5.203232
  H     -13.222154      4.661044      7.224694
  H     -10.776995      4.708060      7.539639
  N      -4.644466      3.916800      3.283487
  H      -5.421661      4.585322      3.174711
  H      -4.932028      3.094754      2.740401
  H      -3.876727      4.343989      2.748683
99
Coordinates from ORCA-job orca E -6204.917456471707
  N      -3.005130      1.658913      4.488392
  Mo     -3.529267      3.425793      5.217776
  N      -4.508194      3.195893      6.891246
  C      -3.718298      3.080250      8.119660
  C      -2.412685      2.368765      7.790547
  N      -1.843720      2.955812      6.544703
  C      -0.992646      1.985545      5.796496
  C      -1.843569      0.976459      5.031763
  C      -1.094956      4.222180      6.796885
  C      -1.174692      5.092209      5.538488
  N      -2.563955      5.216519      5.104366
  H      -1.215334      0.530285      4.234254
  H      -2.142953      0.137190      5.693061
  H      -0.405252      2.575002      5.079928
  H      -0.287208      1.486685      6.484882
  H      -0.722489      6.079797      5.744391
  H      -0.570653      4.639162      4.734235
  H      -1.589550      4.735605      7.633726
  H      -0.056029      3.993295      7.097937
  H      -4.260414      2.502052      8.889111
  H      -3.509339      4.074904      8.562040
  H      -2.622062      1.310847      7.578875
  H      -1.680111      2.426669      8.615359
  C      -3.930398      0.881504      3.679108
  C      -4.340802     -0.510595      4.172005
  C      -5.720354     -0.884771      3.561623
  C      -5.890530     -0.444769      2.131377
  N      -6.530501      0.718191      1.939089
  C      -6.637197      1.177037      0.670375
  N      -6.175355      0.618159     -0.434556
  C      -5.531114     -0.581876     -0.270772
  C      -5.014370     -1.247490     -1.404813
  C      -4.350943     -2.455176     -1.265693
  C      -4.184521     -3.039185      0.007800
  C      -4.681324     -2.411509      1.135877
  C      -5.362927     -1.173248      1.025370
  C      -3.271218      6.345262      5.733294
  C      -3.307276      7.636686      4.903889
  C      -4.146797      7.513438      3.632891
  C      -5.618544      7.279686      3.884036
  N      -6.126567      7.672460      5.059538
  C      -7.427092      7.400936      5.299464
  N      -8.282129      6.740322      4.529297
  C      -7.792569      6.328182      3.319028
  C      -8.617581      5.565639      2.458963
  C      -8.148937      5.140267      1.225616
  C      -6.846401      5.472967      0.808090
  C      -6.010617      6.212377      1.631571
  C      -6.448574      6.633298      2.915826
  C      -5.957958      3.054281      7.007647
  C      -6.699213      4.388939      6.881017
  C      -8.220212      4.273996      6.970207
  C      -8.910354      3.658501      5.778488
  N      -8.174803      3.087546      4.830976
  C      -8.823655      2.507999      3.783262
  N     -10.125707      2.442744      3.580234
  C     -10.909085      3.039629      4.533146
  C     -12.316121      3.025152      4.375112
  C     -13.129955      3.613059      5.324591
  C     -12.570140      4.233582      6.463486
  C     -11.199633      4.263006      6.640198
  C     -10.340168      3.671391      5.682053
  H      -3.575940      0.780994      2.630912
  H      -4.863656      1.459437      3.637988
  H      -4.444137     -0.514240      5.268449
  H      -3.577531     -1.258188      3.907652
  H      -5.891739     -1.967021      3.661707
  H      -6.500400     -0.366537      4.137754
  H      -7.169702      2.131945      0.564158
  H      -5.156559     -0.779496     -2.379969
  H      -3.954964     -2.962754     -2.146143
  H      -3.662262     -3.992755      0.100730
  H      -4.550602     -2.870706      2.116785
  H      -4.310156      6.055461      5.962810
  H      -2.803409      6.568500      6.712009
  H      -2.279329      7.932607      4.639831
  H      -3.729137      8.433929      5.534371
  H      -4.031110      8.422362      3.014522
  H      -3.742923      6.692592      3.019373
  H      -7.808122      7.738586      6.268750
  H      -9.626211      5.326542      2.797860
  H      -8.792004      4.539446      0.579731
  H      -6.476054      5.120636     -0.153410
  H      -5.002883      6.460813      1.295095
  H      -6.210731      2.580158      7.976375
  H      -6.319472      2.383497      6.214218
  H      -6.347993      5.071772      7.671158
  H      -6.429820      4.856411      5.921766
  H      -8.498689      3.685120      7.864327
  H      -8.653642      5.272126      7.135967
  H      -8.172157      2.023837      3.046340
  H     -12.725301      2.539179      3.488190
  H     -14.213920      3.599871      5.196726
  H     -13.224304      4.694440      7.205632
  H     -10.778987      4.747918      7.521320
  N      -4.717662      3.888325      3.340617
  H      -5.505288      4.548769      3.272145
  H      -5.026250      3.067716      2.806684
  H      -3.989845      4.323475      2.759858
99
Coordinates from ORCA-job orca E -6204.919287213717
  N      -3.005402      1.659801      4.482807
  Mo     -3.543742      3.411549      5.232873
  N      -4.514080      3.186745      6.914356
  C      -3.717111      3.067439      8.137379
  C      -2.411537      2.358492      7.797300
  N      -1.848982      2.948408      6.548812
  C      -0.995528      1.981511      5.798028
  C      -1.846329      0.974714      5.030994
  C      -1.108065      4.219783      6.796474
  C      -1.184847      5.082069      5.532555
  N      -2.573879      5.199426      5.090128
  H      -1.214249      0.529342      4.236392
  H      -2.148750      0.135250      5.690010
  H      -0.409366      2.573649      5.082738
  H      -0.289910      1.478138      6.483028
  H      -0.737290      6.072030      5.736353
  H      -0.575144      4.628439      4.733295
  H      -1.609581      4.737105      7.626855
  H      -0.068887      4.000338      7.103987
  H      -4.251710      2.484095      8.908052
  H      -3.507006      4.059466      8.584549
  H      -2.624103      1.301454      7.585552
  H      -1.675133      2.413386      8.618737
  C      -3.916483      0.875231      3.665458
  C      -4.306225     -0.526915      4.150354
  C      -5.684553     -0.920568      3.547505
  C      -5.875995     -0.477583      2.121899
  N      -6.538959      0.674987      1.941961
  C      -6.660651      1.139544      0.677082
  N      -6.193826      0.597953     -0.434617
  C      -5.526468     -0.591054     -0.284149
  C      -5.001324     -1.237618     -1.425046
  C      -4.314071     -2.433618     -1.298082
  C      -4.131133     -3.023424     -0.030171
  C      -4.634674     -2.413589      1.105445
  C      -5.341338     -1.188180      1.007787
  C      -3.281611      6.332103      5.709934
  C      -3.302322      7.622283      4.878487
  C      -4.150794      7.504678      3.613531
  C      -5.621367      7.286848      3.876633
  N      -6.118384      7.694606      5.051647
  C      -7.418210      7.433305      5.304111
  N      -8.282051      6.769596      4.547487
  C      -7.803412      6.339066      3.338923
  C      -8.637697      5.568422      2.495546
  C      -8.176608      5.116565      1.269342
  C      -6.872058      5.432581      0.841216
  C      -6.031077      6.183925      1.645822
  C      -6.460565      6.630507      2.923452
  C      -5.965427      3.062834      7.035789
  C      -6.692194      4.405367      6.897418
  C      -8.214302      4.308143      6.974940
  C      -8.897379      3.688086      5.781626
  N      -8.155783      3.111051      4.842876
  C      -8.796779      2.523668      3.796433
  N     -10.097314      2.457291      3.586467
  C     -10.887654      3.064567      4.526932
  C     -12.293304      3.052565      4.357682
  C     -13.112891      3.653734      5.293907
  C     -12.560085      4.284992      6.429505
  C     -11.191170      4.311444      6.617657
  C     -10.325766      3.705912      5.673440
  H      -3.556501      0.792493      2.618070
  H      -4.861017      1.433435      3.627143
  H      -4.404284     -0.539768      5.247085
  H      -3.534217     -1.262588      3.877710
  H      -5.833921     -2.006734      3.642341
  H      -6.468927     -0.421425      4.133960
  H      -7.210725      2.084968      0.577387
  H      -5.156133     -0.765061     -2.396027
  H      -3.911606     -2.926859     -2.184058
  H      -3.589939     -3.967375      0.053180
  H      -4.490571     -2.877098      2.082248
  H      -4.324539      6.047521      5.928536
  H      -2.824038      6.555554      6.693559
  H      -2.272444      7.903210      4.605840
  H      -3.708126      8.427343      5.509853
  H      -4.028466      8.409787      2.990637
  H      -3.762086      6.675625      3.000956
  H      -7.789947      7.783520      6.272558
  H      -9.645675      5.341434      2.844800
  H      -8.824606      4.505862      0.638095
  H      -6.508214      5.056154     -0.113313
  H      -5.022545      6.417508      1.301415
  H      -6.225182      2.597458      8.006772
  H      -6.336074      2.393167      6.245679
  H      -6.336129      5.091493      7.682269
  H      -6.412138      4.858231      5.934015
  H      -8.509370      3.734269      7.872882
  H      -8.637700      5.313699      7.120816
  H      -8.142587      2.031978      3.067158
  H     -12.696532      2.558528      3.472882
  H     -14.195913      3.643138      5.157610
  H     -13.219054      4.757125      7.160117
  H     -10.775572      4.805674      7.495538
  N      -4.818238      3.874972      3.412208
  H      -5.619231      4.523153      3.405100
  H      -5.152479      3.057213      2.888394
  H      -4.145777      4.322680      2.778227
99
Coordinates from ORCA-job orca E -6204.921101210060
  N      -3.005244      1.655188      4.481308
  Mo     -3.558643      3.394629      5.244688
  N      -4.519283      3.176550      6.933344
  C      -3.717554      3.057404      8.153538
  C      -2.411009      2.351193      7.805601
  N      -1.854028      2.941510      6.553391
  C      -0.997058      1.977130      5.802632
  C      -1.846283      0.970397      5.034628
  C      -1.120788      4.218305      6.794701
  C      -1.197855      5.070900      5.523573
  N      -2.587529      5.178147      5.077528
  H      -1.211822      0.524702      4.242495
  H      -2.148366      0.131453      5.693536
  H      -0.410907      2.570049      5.088346
  H      -0.292055      1.471947      6.486865
  H      -0.756368      6.064282      5.723478
  H      -0.583223      4.616879      4.728832
  H      -1.627847      4.741415      7.618056
  H      -0.081018      4.009830      7.107540
  H      -4.244889      2.470154      8.926461
  H      -3.507977      4.048399      8.603173
  H      -2.624220      1.293898      7.596408
  H      -1.672230      2.406832      8.624762
  C      -3.902853      0.864168      3.657244
  C      -4.275094     -0.546239      4.133595
  C      -5.652211     -0.952557      3.537241
  C      -5.858041     -0.500242      2.116648
  N      -6.536551      0.644889      1.948601
  C      -6.671262      1.114876      0.686566
  N      -6.203948      0.586333     -0.431537
  C      -5.520044     -0.594443     -0.292942
  C      -4.992224     -1.226871     -1.440700
  C      -4.288012     -2.414421     -1.324312
  C      -4.090136     -3.008735     -0.060759
  C      -4.595672     -2.412367      1.081568
  C      -5.319882     -1.196077      0.994903
  C      -3.295381      6.314241      5.689003
  C      -3.297518      7.605062      4.857825
  C      -4.148269      7.497707      3.593612
  C      -5.620238      7.299300      3.863154
  N      -6.107337      7.718718      5.038195
  C      -7.407863      7.469715      5.298952
  N      -8.281126      6.808014      4.551866
  C      -7.812842      6.364348      3.344078
  C      -8.657427      5.590926      2.513388
  C      -8.203217      5.117117      1.293668
  C      -6.896562      5.415878      0.858449
  C      -6.048754      6.174708      1.647541
  C      -6.469797      6.640923      2.920063
  C      -5.971726      3.068183      7.060919
  C      -6.684749      4.418150      6.911210
  C      -8.207258      4.335358      6.978242
  C      -8.884652      3.709782      5.784457
  N      -8.138125      3.128834      4.851629
  C      -8.773837      2.532876      3.808022
  N     -10.073835      2.462791      3.593734
  C     -10.869219      3.078069      4.524455
  C     -12.273779      3.066472      4.347382
  C     -13.097529      3.677903      5.273585
  C     -12.549783      4.318646      6.406021
  C     -11.181803      4.344188      6.602404
  C     -10.311983      3.728384      5.668655
  H      -3.536569      0.796961      2.610915
  H      -4.858869      1.403841      3.618506
  H      -4.366901     -0.565534      5.230803
  H      -3.498533     -1.274134      3.852710
  H      -5.785386     -2.041493      3.623628
  H      -6.439170     -0.470077      4.134091
  H      -7.233313      2.053552      0.592811
  H      -5.158426     -0.751070     -2.408248
  H      -3.883445     -2.897105     -2.215464
  H      -3.535369     -3.945610      0.014339
  H      -4.439620     -2.878607      2.055281
  H      -4.342701      6.035424      5.894628
  H      -2.850033      6.537220      6.678449
  H      -2.263942      7.869718      4.582046
  H      -3.688824      8.417173      5.489214
  H      -4.015165      8.399740      2.968575
  H      -3.771972      6.661396      2.982476
  H      -7.771018      7.828905      6.267157
  H      -9.665588      5.376694      2.870302
  H      -8.855999      4.500123      0.673817
  H      -6.537958      5.017491     -0.088393
  H      -5.038743      6.392702      1.297849
  H      -6.235151      2.613506      8.035821
  H      -6.353024      2.397580      6.276514
  H      -6.325322      5.107256      7.691984
  H      -6.393439      4.857550      5.944502
  H      -8.515508      3.774106      7.879897
  H      -8.622837      5.346891      7.107504
  H      -8.118369      2.035085      3.084743
  H     -12.672856      2.565138      3.464734
  H     -14.179647      3.668440      5.131356
  H     -13.212602      4.799177      7.127695
  H     -10.769322      4.846421      7.477287
  N      -4.913105      3.853825      3.477848
  H      -5.723774      4.486269      3.532341
  H      -5.268932      3.034315      2.970577
  H      -4.294874      4.313548      2.799316
99
Coordinates from ORCA-job orca E -6204.922833608007
  N      -3.008763      1.653463      4.477753
  Mo     -3.576547      3.382109      5.254037
  N      -4.523325      3.169427      6.951708
  C      -3.716200      3.049990      8.168353
  C      -2.409041      2.346837      7.811187
  N      -1.859680      2.937225      6.554983
  C      -1.000545      1.974698      5.803720
  C      -1.850362      0.968041      5.035683
  C      -1.132592      4.218453      6.790990
  C      -1.213950      5.063621      5.514438
  N      -2.605679      5.160513      5.070293
  H      -1.216933      0.519249      4.244718
  H      -2.153084      0.130962      5.696460
  H      -0.414687      2.567910      5.089401
  H      -0.295610      1.469159      6.487830
  H      -0.778143      6.060373      5.709899
  H      -0.597553      4.609909      4.721211
  H      -1.643488      4.745926      7.609105
  H      -0.091886      4.019260      7.107279
  H      -4.236127      2.458030      8.943021
  H      -3.507366      4.040299      8.620433
  H      -2.621579      1.288854      7.604141
  H      -1.666083      2.404039      8.626501
  C      -3.896682      0.857985      3.647093
  C      -4.251996     -0.560072      4.113973
  C      -5.627739     -0.976794      3.522749
  C      -5.843088     -0.517532      2.105894
  N      -6.532047      0.621885      1.945535
  C      -6.677264      1.093774      0.685081
  N      -6.211631      0.572035     -0.437393
  C      -5.514980     -0.601770     -0.305713
  C      -4.986368     -1.226022     -1.458357
  C      -4.269417     -2.406601     -1.348070
  C      -4.058924     -3.001440     -0.086462
  C      -4.565087     -2.413036      1.060028
  C      -5.302556     -1.204031      0.979572
  C      -3.312533      6.299435      5.676148
  C      -3.292266      7.591263      4.845316
  C      -4.139933      7.493634      3.577660
  C      -5.615118      7.315354      3.846653
  N      -6.097713      7.750487      5.017793
  C      -7.400008      7.513681      5.282275
  N      -8.278896      6.850700      4.543350
  C      -7.814880      6.390455      3.339624
  C      -8.666059      5.611966      2.519613
  C      -8.213430      5.113721      1.309524
  C      -6.903476      5.393872      0.872714
  C      -6.051625      6.162359      1.647875
  C      -6.470400      6.651637      2.912072
  C      -5.976364      3.075312      7.089546
  C      -6.678354      4.431054      6.932588
  C      -8.201197      4.357199      6.989531
  C      -8.871473      3.729964      5.792568
  N      -8.117993      3.152386      4.862108
  C      -8.747754      2.550625      3.818701
  N     -10.047240      2.474895      3.598781
  C     -10.848857      3.090694      4.523533
  C     -12.252444      3.076505      4.338625
  C     -13.082483      3.688925      5.258883
  C     -12.541851      4.332759      6.392764
  C     -11.174551      4.360367      6.597428
  C     -10.298198      3.744100      5.669901
  H      -3.525609      0.804633      2.601615
  H      -4.861330      1.381132      3.606908
  H      -4.336875     -0.585025      5.211756
  H      -3.471908     -1.281149      3.825333
  H      -5.748450     -2.067244      3.602596
  H      -6.417369     -0.507659      4.126695
  H      -7.248469      2.026715      0.595169
  H      -5.161977     -0.750181     -2.424376
  H      -3.864302     -2.882946     -2.242693
  H      -3.493775     -3.932375     -0.015877
  H      -4.399061     -2.878730      2.032485
  H      -4.364443      6.027207      5.866260
  H      -2.881509      6.519635      6.672537
  H      -2.253614      7.837518      4.571043
  H      -3.670751      8.410915      5.474112
  H      -3.993641      8.391368      2.949747
  H      -3.772697      6.649084      2.972313
  H      -7.758686      7.885137      6.247666
  H      -9.675757      5.411252      2.879843
  H      -8.868198      4.489395      0.699407
  H      -6.545177      4.971650     -0.063842
  H      -5.039297      6.365748      1.296463
  H      -6.238401      2.631382      8.069318
  H      -6.370365      2.402658      6.313291
  H      -6.317908      5.121003      7.711965
  H      -6.378305      4.862695      5.965323
  H      -8.519164      3.802061      7.891824
  H      -8.613084      5.371798      7.109339
  H      -8.089222      2.052264      3.098887
  H     -12.645986      2.572651      3.454910
  H     -14.163876      3.677881      5.110718
  H     -13.210158      4.814071      7.108820
  H     -10.766840      4.865335      7.472994
  N      -5.008684      3.837759      3.543698
  H      -5.824560      4.451171      3.664778
  H      -5.385446      3.013801      3.058056
  H      -4.446053      4.309532      2.827392
99
Coordinates from ORCA-job orca E -6204.924369344541
  N      -3.009833      1.652013      4.476191
  Mo     -3.593942      3.371670      5.263145
  N      -4.527997      3.162090      6.968056
  C      -3.715563      3.043918      8.180674
  C      -2.407175      2.345734      7.815981
  N      -1.864821      2.936008      6.557226
  C      -1.002882      1.976271      5.805905
  C      -1.851288      0.968583      5.037899
  C      -1.144424      4.221024      6.789083
  C      -1.231897      5.059853      5.509118
  N      -2.625761      5.145512      5.069415
  H      -1.219316      0.517186      4.247340
  H      -2.153946      0.133238      5.700910
  H      -0.417709      2.570373      5.091841
  H      -0.297465      1.472640      6.490836
  H      -0.802609      6.060328      5.699642
  H      -0.614607      4.607086      4.716126
  H      -1.659013      4.750519      7.603610
  H      -0.102873      4.029774      7.107802
  H      -4.228712      2.447090      8.956441
  H      -3.508976      4.034219      8.634381
  H      -2.616765      1.286754      7.610070
  H      -1.660454      2.405638      8.627834
  C      -3.888454      0.852447      3.637838
  C      -4.228641     -0.572473      4.095345
  C      -5.604033     -0.996905      3.509219
  C      -5.828672     -0.531165      2.095725
  N      -6.524693      0.604737      1.942686
  C      -6.681396      1.077561      0.683682
  N      -6.221951      0.559190     -0.443077
  C      -5.516367     -0.609769     -0.317739
  C      -4.993313     -1.229634     -1.475583
  C      -4.268120     -2.405525     -1.371848
  C      -4.043361     -2.999981     -0.112115
  C      -4.544405     -2.416193      1.038559
  C      -5.290390     -1.211885      0.964649
  C      -3.331694      6.288178      5.668354
  C      -3.286811      7.579140      4.836592
  C      -4.127786      7.487942      3.563699
  C      -5.606476      7.328476      3.827980
  N      -6.087520      7.782570      4.992172
  C      -7.392913      7.560717      5.257199
  N      -8.276228      6.896866      4.524760
  C      -7.812792      6.417846      3.327478
  C      -8.669660      5.636178      2.516195
  C      -8.216467      5.111968      1.317555
  C      -6.901394      5.369676      0.882946
  C      -6.044964      6.145041      1.646438
  C      -6.464932      6.659820      2.900164
  C      -5.981213      3.082226      7.117239
  C      -6.673210      4.443330      6.957567
  C      -8.196736      4.376387      7.003761
  C      -8.858339      3.752604      5.799944
  N      -8.095852      3.188491      4.866997
  C      -8.717838      2.585482      3.819672
  N     -10.016297      2.498753      3.594449
  C     -10.825872      3.104702      4.518850
  C     -12.228549      3.081805      4.327959
  C     -13.067102      3.684043      5.247604
  C     -12.535766      4.325734      6.387009
  C     -11.169128      4.361260      6.598177
  C     -10.284373      3.756107      5.671414
  H      -3.512713      0.810753      2.593646
  H      -4.859795      1.362013      3.594950
  H      -4.306451     -0.602990      5.193641
  H      -3.445442     -1.286936      3.799114
  H      -5.716035     -2.088507      3.583117
  H      -6.394971     -0.538185      4.119681
  H      -7.258398      2.006809      0.598801
  H      -5.179770     -0.754532     -2.439977
  H      -3.867499     -2.878316     -2.270164
  H      -3.471463     -3.927034     -0.046391
  H      -4.367572     -2.881127      2.009572
  H      -4.388072      6.023397      5.841844
  H      -2.915653      6.504839      6.671875
  H      -2.242458      7.806268      4.567274
  H      -3.654867      8.407006      5.460215
  H      -3.967799      8.380575      2.932319
  H      -3.767027      6.634970      2.966510
  H      -7.749550      7.947811      6.217464
  H      -9.682817      5.452065      2.875868
  H      -8.874112      4.483226      0.715145
  H      -6.542057      4.924585     -0.042696
  H      -5.029272      6.332817      1.295855
  H      -6.240163      2.647232      8.101806
  H      -6.387266      2.407890      6.348745
  H      -6.313087      5.131116      7.739163
  H      -6.366359      4.873881      5.992373
  H      -8.523228      3.821462      7.903428
  H      -8.606493      5.392473      7.121266
  H      -8.053418      2.095335      3.099313
  H     -12.615220      2.579584      3.440162
  H     -14.147875      3.666370      5.094668
  H     -13.210889      4.798808      7.102028
  H     -10.768065      4.864482      7.477961
  N      -5.097842      3.821378      3.610908
  H      -5.917508      4.411608      3.796574
  H      -5.489742      2.990794      3.149916
  H      -4.590356      4.307032      2.864104
99
Coordinates from ORCA-job orca E -6204.925773335531
  N      -2.998136      1.643461      4.478671
  Mo     -3.600681      3.356716      5.270756
  N      -4.530914      3.148801      6.977636
  C      -3.716328      3.035323      8.188680
  C      -2.404700      2.344299      7.823567
  N      -1.864766      2.933366      6.564332
  C      -0.997981      1.976360      5.817268
  C      -1.841136      0.964625      5.049852
  C      -1.152560      4.222659      6.792403
  C      -1.244009      5.055065      5.509067
  N      -2.638947      5.128487      5.070926
  H      -1.206371      0.509645      4.263368
  H      -2.146316      0.132063      5.715283
  H      -0.412541      2.570586      5.103636
  H      -0.292480      1.477390      6.505528
  H      -0.822480      6.059603      5.694605
  H      -0.623749      4.602969      4.717823
  H      -1.672730      4.752583      7.603175
  H      -0.111027      4.038755      7.115150
  H      -4.225435      2.435242      8.964648
  H      -3.514764      4.026614      8.642434
  H      -2.608516      1.283889      7.619089
  H      -1.657881      2.408990      8.635082
  C      -3.864074      0.837743      3.630392
  C      -4.194194     -0.591724      4.081435
  C      -5.570293     -1.019290      3.499048
  C      -5.805340     -0.546031      2.089269
  N      -6.505241      0.588914      1.945962
  C      -6.674690      1.064819      0.689160
  N      -6.224905      0.550153     -0.442846
  C      -5.513613     -0.616247     -0.326548
  C      -4.999362     -1.230769     -1.491222
  C      -4.268441     -2.403580     -1.397467
  C      -4.029069     -3.000741     -0.141361
  C      -4.522204     -2.422824      1.015165
  C      -5.273539     -1.221329      0.951451
  C      -3.348177      6.274679      5.659376
  C      -3.289642      7.563465      4.825259
  C      -4.130268      7.477340      3.551141
  C      -5.611131      7.330878      3.814197
  N      -6.088844      7.800168      4.973390
  C      -7.396955      7.593985      5.240170
  N      -8.286031      6.932192      4.513326
  C      -7.825767      6.439112      3.320164
  C      -8.691685      5.662311      2.514003
  C      -8.244226      5.123938      1.319864
  C      -6.926337      5.363349      0.883675
  C      -6.060789      6.135304      1.641028
  C      -6.475265      6.663055      2.891297
  C      -5.984799      3.085173      7.134960
  C      -6.665375      4.451985      6.972968
  C      -8.190431      4.396573      7.009543
  C      -8.849327      3.775678      5.801737
  N      -8.083534      3.216385      4.866644
  C      -8.702576      2.612265      3.817686
  N      -9.999957      2.520597      3.590157
  C     -10.812082      3.125126      4.514273
  C     -12.213669      3.100679      4.320276
  C     -13.055479      3.700780      5.239252
  C     -12.528118      4.341255      6.381474
  C     -11.162121      4.378089      6.596122
  C     -10.274471      3.775809      5.670015
  H      -3.480477      0.802851      2.589133
  H      -4.837908      1.338376      3.580575
  H      -4.268120     -0.627253      5.179891
  H      -3.408210     -1.300895      3.780225
  H      -5.678388     -2.111820      3.566547
  H      -6.360316     -0.567627      4.116143
  H      -7.254408      1.992854      0.612574
  H      -5.197096     -0.753734     -2.452433
  H      -3.874490     -2.872024     -2.300796
  H      -3.452440     -3.925379     -0.083441
  H      -4.333975     -2.889917      1.983021
  H      -4.406828      6.012610      5.819839
  H      -2.944660      6.491042      6.668222
  H      -2.242343      7.777546      4.556882
  H      -3.649578      8.396704      5.446263
  H      -3.962178      8.368062      2.919486
  H      -3.775655      6.620602      2.955892
  H      -7.751150      7.997259      6.195095
  H      -9.707214      5.492827      2.874059
  H      -8.909484      4.499155      0.721505
  H      -6.572404      4.908931     -0.039903
  H      -5.044237      6.312364      1.288003
  H      -6.242275      2.659117      8.124135
  H      -6.401088      2.409502      6.373222
  H      -6.305154      5.136038      7.757826
  H      -6.350681      4.883999      6.011216
  H      -8.526587      3.844441      7.907517
  H      -8.593072      5.415770      7.125986
  H      -8.035708      2.123505      3.097612
  H     -12.597757      2.599208      3.430570
  H     -14.135539      3.681793      5.083355
  H     -13.205353      4.812337      7.095968
  H     -10.763964      4.880455      7.478095
  N      -5.157743      3.794752      3.670437
  H      -5.979538      4.363913      3.903310
  H      -5.557756      2.956959      3.231189
  H      -4.692797      4.291132      2.904486
99
Coordinates from ORCA-job orca E -6204.927019298395
  N      -2.990381      1.637770      4.481161
  Mo     -3.612159      3.344490      5.278511
  N      -4.536683      3.138184      6.989512
  C      -3.718309      3.030770      8.198223
  C      -2.403697      2.347565      7.831285
  N      -1.868337      2.934937      6.570436
  C      -0.996778      1.979753      5.827177
  C      -1.834513      0.963955      5.059564
  C      -1.163681      4.228664      6.794543
  C      -1.260043      5.053479      5.508075
  N      -2.656595      5.115027      5.073243
  H      -1.197737      0.506914      4.275981
  H      -2.141344      0.133477      5.727169
  H      -0.411215      2.574404      5.114026
  H      -0.291423      1.485507      6.519106
  H      -0.845634      6.062195      5.686111
  H      -0.639010      4.600135      4.718171
  H      -1.689161      4.758561      7.602069
  H      -0.122333      4.050457      7.121173
  H      -4.222639      2.426981      8.974456
  H      -3.522785      4.023638      8.651614
  H      -2.600900      1.285264      7.628861
  H      -1.654967      2.418080      8.640654
  C      -3.844400      0.827690      3.621978
  C      -4.164978     -0.606497      4.065947
  C      -5.541849     -1.036954      3.487580
  C      -5.787657     -0.557451      2.082029
  N      -6.490090      0.577619      1.949148
  C      -6.670982      1.057207      0.695480
  N      -6.231559      0.545905     -0.441970
  C      -5.516481     -0.619141     -0.335431
  C      -5.011633     -1.228897     -1.507132
  C      -4.276450     -2.399592     -1.424160
  C      -4.023273     -2.999844     -0.172179
  C      -4.507860     -2.427211      0.990470
  C      -5.263413     -1.227893      0.937702
  C      -3.365754      6.267341      5.649678
  C      -3.284162      7.551394      4.810581
  C      -4.119011      7.466612      3.532664
  C      -5.602089      7.337126      3.791051
  N      -6.078505      7.826707      4.941472
  C      -7.389755      7.638144      5.207755
  N      -8.283014      6.976792      4.486628
  C      -7.823510      6.464190      3.301638
  C      -8.696830      5.690363      2.501258
  C      -8.250920      5.128515      1.317580
  C      -6.926586      5.340733      0.885865
  C      -6.054018      6.111951      1.635621
  C      -6.468713      6.664483      2.875336
  C      -5.990629      3.087324      7.158033
  C      -6.664218      4.457873      7.001811
  C      -8.190937      4.408469      7.026196
  C      -8.844342      3.798059      5.809465
  N      -8.072298      3.255606      4.867763
  C      -8.685340      2.655198      3.812699
  N      -9.981076      2.553734      3.582198
  C     -10.799196      3.144404      4.511070
  C     -12.199776      3.112287      4.313796
  C     -13.048433      3.697046      5.237159
  C     -12.528433      4.328914      6.387541
  C     -11.162865      4.373043      6.605665
  C     -10.268817      3.787406      5.674963
  H      -3.453329      0.798886      2.583572
  H      -4.820208      1.321686      3.563716
  H      -4.235044     -0.649145      5.164383
  H      -3.375382     -1.308952      3.759020
  H      -5.646428     -2.130161      3.549548
  H      -6.330726     -0.591578      4.110781
  H      -7.252012      1.984850      0.628164
  H      -5.219802     -0.749342     -2.464824
  H      -3.889706     -2.863961     -2.332768
  H      -3.442935     -3.922629     -0.122572
  H      -4.308550     -2.896926      1.954755
  H      -4.427864      6.012698      5.794300
  H      -2.976679      6.480973      6.664785
  H      -2.232309      7.748489      4.547811
  H      -3.636307      8.393292      5.424077
  H      -3.939916      8.352316      2.897399
  H      -3.770472      6.602930      2.944470
  H      -7.742228      8.060383      6.154962
  H      -9.716532      5.539842      2.857915
  H      -8.922343      4.505178      0.724798
  H      -6.573706      4.868206     -0.029657
  H      -5.033313      6.271672      1.284926
  H      -6.243038      2.665473      8.150033
  H      -6.416332      2.411970      6.401447
  H      -6.307517      5.134122      7.794525
  H      -6.342844      4.900039      6.047745
  H      -8.535475      3.851023      7.917468
  H      -8.590314      5.428301      7.149705
  H      -8.013161      2.177619      3.089000
  H     -12.578588      2.617212      3.418044
  H     -14.127937      3.671843      5.078098
  H     -13.210263      4.787594      7.105787
  H     -10.770545      4.869091      7.494119
  N      -5.224925      3.769591      3.730231
  H      -6.051771      4.305991      4.016557
  H      -5.625133      2.921992      3.312770
  H      -4.809235      4.282786      2.947959
99
Coordinates from ORCA-job orca E -6204.928031158433
  N      -2.974221      1.629909      4.487128
  Mo     -3.613829      3.329090      5.288553
  N      -4.542755      3.117549      6.996816
  C      -3.723606      3.014509      8.205562
  C      -2.405608      2.337471      7.840255
  N      -1.867750      2.927568      6.581952
  C      -0.989301      1.977295      5.842234
  C      -1.820162      0.958497      5.072813
  C      -1.171507      4.225461      6.808167
  C      -1.270030      5.049590      5.521220
  N      -2.667262      5.100625      5.084805
  H      -1.177959      0.502025      4.293047
  H      -2.128823      0.128051      5.739321
  H      -0.403764      2.574420      5.131028
  H      -0.283532      1.485830      6.535847
  H      -0.863447      6.061238      5.698710
  H      -0.644008      4.600098      4.732651
  H      -1.702631      4.751866      7.614217
  H      -0.130398      4.053055      7.138093
  H      -4.224740      2.407914      8.981646
  H      -3.533269      4.007582      8.659923
  H      -2.598581      1.274992      7.636384
  H      -1.659989      2.409110      8.652375
  C      -3.811318      0.821316      3.611016
  C      -4.137214     -0.614803      4.045966
  C      -5.515288     -1.036531      3.465302
  C      -5.760254     -0.552444      2.061042
  N      -6.458495      0.585268      1.929402
  C      -6.639205      1.064429      0.674614
  N      -6.202379      0.552075     -0.462656
  C      -5.490109     -0.614335     -0.356912
  C      -4.987080     -1.224237     -1.528788
  C      -4.254504     -2.396059     -1.446053
  C      -4.003063     -2.997606     -0.194276
  C      -4.486565     -2.424970      0.968374
  C      -5.238669     -1.224069      0.916056
  C      -3.381999      6.258546      5.641524
  C      -3.293928      7.534112      4.790898
  C      -4.127812      7.440027      3.512873
  C      -5.611259      7.316047      3.769216
  N      -6.089017      7.822757      4.911740
  C      -7.402876      7.648598      5.174501
  N      -8.298156      6.987280      4.456235
  C      -7.838367      6.459382      3.278118
  C      -8.719187      5.695741      2.476410
  C      -8.277602      5.127163      1.294704
  C      -6.948846      5.320783      0.866432
  C      -6.067214      6.078584      1.620001
  C      -6.479161      6.641029      2.856190
  C      -5.997542      3.082408      7.172202
  C      -6.659848      4.459439      7.021197
  C      -8.187897      4.426831      7.042138
  C      -8.849222      3.818915      5.827837
  N      -8.083358      3.270201      4.883304
  C      -8.702875      2.666983      3.833351
  N      -9.999300      2.568033      3.609683
  C     -10.811445      3.168854      4.538777
  C     -12.212007      3.142974      4.346471
  C     -13.054776      3.737802      5.270142
  C     -12.527968      4.372831      6.415773
  C     -11.161491      4.411077      6.629257
  C     -10.273595      3.815415      5.698052
  H      -3.405086      0.798506      2.578393
  H      -4.784311      1.316159      3.540952
  H      -4.210515     -0.663662      5.143905
  H      -3.348688     -1.317689      3.737365
  H      -5.625673     -2.129633      3.522770
  H      -6.301311     -0.589393      4.090691
  H      -7.216852      1.993440      0.606757
  H      -5.194520     -0.743322     -2.485983
  H      -3.868592     -2.860684     -2.354548
  H      -3.424809     -3.921522     -0.144975
  H      -4.288163     -2.896312      1.932164
  H      -4.445143      6.003629      5.776327
  H      -3.004115      6.481086      6.659183
  H      -2.241046      7.724775      4.527375
  H      -3.643303      8.383214      5.396212
  H      -3.946446      8.322125      2.872759
  H      -3.780582      6.572527      2.929360
  H      -7.757687      8.089485      6.112724
  H      -9.742548      5.560132      2.828640
  H      -8.957475      4.514996      0.699424
  H      -6.602662      4.848960     -0.052223
  H      -5.044976      6.227939      1.270734
  H      -6.248488      2.663673      8.166080
  H      -6.433471      2.410564      6.418542
  H      -6.300167      5.128965      7.818405
  H      -6.330658      4.905879      6.071782
  H      -8.541233      3.876840      7.934714
  H      -8.573636      5.452155      7.163638
  H      -8.036378      2.183437      3.107236
  H     -12.596170      2.645186      3.454246
  H     -14.134623      3.717378      5.114225
  H     -13.204365      4.839187      7.134643
  H     -10.764177      4.910137      7.514019
  N      -5.249841      3.745737      3.772457
  H      -6.083966      4.255222      4.092446
  H      -5.644729      2.893432      3.361460
  H      -4.868579      4.276079      2.984365
99
Coordinates from ORCA-job orca E -6204.929034934599
  N      -2.954558      1.617037      4.496383
  Mo     -3.612977      3.311340      5.296950
  N      -4.549041      3.098578      7.004650
  C      -3.730519      3.007090      8.215305
  C      -2.407805      2.337332      7.857251
  N      -1.869470      2.923919      6.597430
  C      -0.983611      1.973493      5.867160
  C      -1.806501      0.949616      5.096208
  C      -1.180083      4.226807      6.821165
  C      -1.277498      5.044456      5.531483
  N      -2.674210      5.086453      5.092416
  H      -1.156121      0.490449      4.325037
  H      -2.121328      0.122141      5.763806
  H      -0.395729      2.569675      5.157046
  H      -0.280581      1.487052      6.567157
  H      -0.875945      6.059025      5.702928
  H      -0.649499      4.591970      4.746401
  H      -1.718610      4.752306      7.623099
  H      -0.140500      4.057952      7.157665
  H      -4.230457      2.399460      8.991749
  H      -3.549441      4.003501      8.666627
  H      -2.592613      1.272139      7.658517
  H      -1.664191      2.417788      8.670278
  C      -3.774383      0.808205      3.603764
  C      -4.107538     -0.628288      4.034001
  C      -5.488338     -1.042230      3.453950
  C      -5.738520     -0.551811      2.053502
  N      -6.433825      0.589746      1.931243
  C      -6.619362      1.074527      0.679946
  N      -6.190541      0.565365     -0.461925
  C      -5.481376     -0.603911     -0.365706
  C      -4.985910     -1.210259     -1.542571
  C      -4.255799     -2.384619     -1.469210
  C      -3.999442     -2.992330     -0.221845
  C      -4.475734     -2.423347      0.945791
  C      -5.225351     -1.220337      0.903134
  C      -3.394351      6.249707      5.628764
  C      -3.297109      7.515497      4.765913
  C      -4.130722      7.413275      3.488004
  C      -5.615091      7.302669      3.742526
  N      -6.091200      7.827868      4.876694
  C      -7.408410      7.672733      5.136845
  N      -8.308379      7.015973      4.421372
  C      -7.851221      6.472057      3.249942
  C      -8.741818      5.723193      2.445782
  C      -8.306009      5.144811      1.266282
  C      -6.971321      5.311634      0.842926
  C      -6.079153      6.051230      1.601754
  C      -6.486932      6.627029      2.833824
  C      -6.003718      3.076235      7.188881
  C      -6.656584      4.458633      7.045121
  C      -8.185536      4.439523      7.058611
  C      -8.848904      3.844423      5.840380
  N      -8.082596      3.310049      4.888545
  C      -8.701168      2.711416      3.835851
  N      -9.997338      2.605818      3.616054
  C     -10.811081      3.194500      4.551939
  C     -12.211986      3.162032      4.362792
  C     -13.056642      3.743079      5.293548
  C     -12.530529      4.370083      6.442995
  C     -11.163020      4.414636      6.653273
  C     -10.273676      3.833778      5.714615
  H      -3.350529      0.785026      2.578432
  H      -4.743516      1.306874      3.514974
  H      -4.182727     -0.683917      5.131379
  H      -3.319760     -1.330893      3.723325
  H      -5.602672     -2.135195      3.507268
  H      -6.270735     -0.594577      4.083721
  H      -7.193553      2.006246      0.619576
  H      -5.196950     -0.723986     -2.496131
  H      -3.875697     -2.846223     -2.381694
  H      -3.422986     -3.917845     -0.179780
  H      -4.272891     -2.900018      1.905821
  H      -4.458892      5.995219      5.750774
  H      -3.029594      6.478041      6.649774
  H      -2.243170      7.698417      4.502419
  H      -3.643533      8.372350      5.361800
  H      -3.943942      8.290107      2.842041
  H      -3.789568      6.539898      2.910336
  H      -7.761419      8.130016      6.067478
  H      -9.769337      5.606754      2.792767
  H      -8.995938      4.546773      0.668557
  H      -6.632678      4.838923     -0.079581
  H      -5.052755      6.182896      1.255943
  H      -6.250302      2.659559      8.184715
  H      -6.448579      2.405999      6.438638
  H      -6.298114      5.120345      7.849986
  H      -6.318438      4.913443      6.102552
  H      -8.547758      3.887670      7.946433
  H      -8.561312      5.468038      7.186660
  H      -8.033377      2.241073      3.102464
  H     -12.595369      2.669962      3.467488
  H     -14.137111      3.717173      5.139600
  H     -13.207138      4.825307      7.168334
  H     -10.767280      4.907901      7.541629
  N      -5.271222      3.714196      3.802423
  H      -6.116416      4.190129      4.150029
  H      -5.653294      2.853257      3.394701
  H      -4.922591      4.261103      3.010251
99
Coordinates from ORCA-job orca E -6204.930005155808
  N      -2.935573      1.605207      4.507350
  Mo     -3.613674      3.290677      5.310138
  N      -4.558884      3.072644      7.013046
  C      -3.742876      2.990807      8.226861
  C      -2.414164      2.329784      7.875865
  N      -1.873649      2.917689      6.617230
  C      -0.977560      1.971543      5.893478
  C      -1.790290      0.942901      5.117783
  C      -1.194508      4.226218      6.841671
  C      -1.290899      5.038901      5.549266
  N      -2.686467      5.070024      5.104598
  H      -1.131109      0.485846      4.353134
  H      -2.106545      0.114967      5.784001
  H      -0.388591      2.569950      5.186273
  H      -0.276519      1.488823      6.597961
  H      -0.896771      6.056612      5.718568
  H      -0.656783      4.587320      4.768721
  H      -1.740820      4.749833      7.639548
  H      -0.155646      4.065294      7.183766
  H      -4.240970      2.381490      9.003230
  H      -3.571127      3.989612      8.676609
  H      -2.590623      1.262821      7.679196
  H      -1.675412      2.416803      8.692678
  C      -3.735411      0.797941      3.596721
  C      -4.076864     -0.639370      4.019750
  C      -5.460741     -1.045031      3.440394
  C      -5.714541     -0.546723      2.043779
  N      -6.407852      0.597402      1.931172
  C      -6.596871      1.089053      0.682985
  N      -6.173769      0.585112     -0.463362
  C      -5.466767     -0.586366     -0.377117
  C      -4.976188     -1.186921     -1.559038
  C      -4.248034     -2.363437     -1.495036
  C      -3.988868     -2.978632     -0.252069
  C      -4.459966     -2.414991      0.920717
  C      -5.207475     -1.210155      0.887641
  C      -3.412390      6.240080      5.615608
  C      -3.306576      7.492405      4.734973
  C      -4.138193      7.375773      3.456800
  C      -5.623883      7.278742      3.710338
  N      -6.096794      7.822024      4.837209
  C      -7.416544      7.684936      5.095814
  N      -8.322336      7.032511      4.384291
  C      -7.869647      6.472962      3.218719
  C      -8.769083      5.734479      2.415451
  C      -8.338992      5.144163      1.239418
  C      -7.000173      5.286693      0.819150
  C      -6.099101      6.013174      1.579289
  C      -6.501457      6.603236      2.806563
  C      -6.013344      3.066620      7.200044
  C      -6.648461      4.458345      7.065491
  C      -8.176818      4.460651      7.073894
  C      -8.843987      3.877382      5.853608
  N      -8.079913      3.352586      4.894933
  C      -8.700613      2.758256      3.842075
  N      -9.997593      2.647024      3.629399
  C     -10.809746      3.228408      4.571145
  C     -12.211425      3.190931      4.388876
  C     -13.054113      3.764217      5.326403
  C     -12.524553      4.387757      6.475343
  C     -11.155777      4.436820      6.679110
  C     -10.268846      3.864171      5.733661
  H      -3.291926      0.777689      2.579479
  H      -4.701075      1.299450      3.489865
  H      -4.153551     -0.701227      5.116631
  H      -3.291444     -1.343176      3.705927
  H      -5.579412     -2.137780      3.489050
  H      -6.239062     -0.596731      4.074928
  H      -7.169484      2.022154      0.629012
  H      -5.189363     -0.694349     -2.508893
  H      -3.871490     -2.820878     -2.411401
  H      -3.413905     -3.905552     -0.217478
  H      -4.254293     -2.897565      1.877151
  H      -4.478163      5.986786      5.728235
  H      -3.059186      6.481895      6.637584
  H      -2.251414      7.667475      4.471021
  H      -3.650839      8.359596      5.316863
  H      -3.946659      8.244594      2.801309
  H      -3.801233      6.494435      2.888778
  H      -7.766176      8.155693      6.020926
  H      -9.799240      5.634930      2.759609
  H      -9.036938      4.555721      0.641728
  H      -6.668076      4.808809     -0.103442
  H      -5.069567      6.126539      1.235924
  H      -6.261623      2.648829      8.194738
  H      -6.467945      2.404354      6.448790
  H      -6.285939      5.108883      7.877524
  H      -6.298726      4.917303      6.129189
  H      -8.548879      3.911352      7.959168
  H      -8.538155      5.494350      7.204605
  H      -8.035092      2.296074      3.102309
  H     -12.597417      2.701186      3.493603
  H     -14.135318      3.734372      5.177512
  H     -13.198909      4.836503      7.206576
  H     -10.757748      4.927360      7.567815
  N      -5.292279      3.679369      3.835620
  H      -6.149432      4.118196      4.207064
  H      -5.654301      2.811932      3.422424
  H      -4.975616      4.245651      3.044256
99
Coordinates from ORCA-job orca E -6204.930978816667
  N      -2.914207      1.594567      4.517460
  Mo     -3.612031      3.270505      5.322220
  N      -4.569783      3.045634      7.019425
  C      -3.758788      2.973935      8.238179
  C      -2.423114      2.321073      7.896912
  N      -1.878975      2.910624      6.640041
  C      -0.971857      1.968771      5.923605
  C      -1.774416      0.935684      5.141899
  C      -1.209707      4.224511      6.867514
  C      -1.303433      5.033815      5.572888
  N      -2.696883      5.056280      5.120169
  H      -1.105361      0.479374      4.385772
  H      -2.094729      0.108113      5.806693
  H      -0.381583      2.569408      5.219295
  H      -0.273540      1.489538      6.633062
  H      -0.915242      6.053826      5.741841
  H      -0.662679      4.582969      4.797416
  H      -1.764336      4.745960      7.660987
  H      -0.171737      4.071191      7.215794
  H      -4.256637      2.363430      9.013799
  H      -3.597303      3.975429      8.686014
  H      -2.590368      1.252086      7.702891
  H      -1.690565      2.415736      8.718404
  C      -3.691726      0.790742      3.586661
  C      -4.047764     -0.644891      4.004869
  C      -5.435094     -1.040387      3.425546
  C      -5.689329     -0.535656      2.031881
  N      -6.377362      0.612523      1.926681
  C      -6.566335      1.110679      0.681200
  N      -6.147656      0.610380     -0.468549
  C      -5.446478     -0.565021     -0.390026
  C      -4.959932     -1.161824     -1.575574
  C      -4.237240     -2.342478     -1.518487
  C      -3.979427     -2.964991     -0.279089
  C      -4.445952     -2.404546      0.897508
  C      -5.188138     -1.195901      0.871530
  C      -3.428219      6.233967      5.601571
  C      -3.315775      7.469743      4.698539
  C      -4.145101      7.335475      3.420312
  C      -5.632540      7.251215      3.672975
  N      -6.102609      7.808560      4.793946
  C      -7.424462      7.686120      5.050306
  N      -8.335701      7.040224      4.340290
  C      -7.886986      6.469668      3.178945
  C      -8.794228      5.743649      2.373677
  C      -8.367919      5.144607      1.200245
  C      -7.024684      5.263605      0.785927
  C      -6.116416      5.975948      1.549819
  C      -6.515210      6.577649      2.772589
  C      -6.023641      3.052039      7.207510
  C      -6.643327      4.452527      7.086738
  C      -8.170958      4.473896      7.095553
  C      -8.846081      3.902596      5.874952
  N      -8.088285      3.385214      4.907044
  C      -8.715142      2.797442      3.855106
  N     -10.013860      2.684515      3.652508
  C     -10.820315      3.260503      4.602254
  C     -12.223043      3.223876      4.429190
  C     -13.059605      3.792643      5.375365
  C     -12.522237      4.410130      6.523161
  C     -11.151908      4.458136      6.718170
  C     -10.271466      3.890528      5.764097
  H      -3.224403      0.769622      2.579926
  H      -4.650138      1.300679      3.456468
  H      -4.126967     -0.710028      5.101285
  H      -3.267337     -1.353951      3.690321
  H      -5.559837     -2.132514      3.472047
  H      -6.209377     -0.588998      4.062896
  H      -7.133463      2.046837      0.631572
  H      -5.171743     -0.663114     -2.522497
  H      -3.863607     -2.797348     -2.437661
  H      -3.408598     -3.894841     -0.250079
  H      -4.240784     -2.892555      1.851167
  H      -4.494910      5.981632      5.706546
  H      -3.086294      6.495182      6.622572
  H      -2.259807      7.638263      4.433480
  H      -3.659448      8.348386      5.263156
  H      -3.949984      8.195173      2.753944
  H      -3.810891      6.446001      2.863438
  H      -7.771170      8.166251      5.971692
  H      -9.826956      5.659005      2.714294
  H      -9.071945      4.566287      0.600129
  H      -6.697069      4.781554     -0.136163
  H      -5.083207      6.070672      1.211014
  H      -6.273084      2.628655      8.198985
  H      -6.487051      2.400390      6.452623
  H      -6.274947      5.089997      7.906441
  H      -6.284904      4.917089      6.156594
  H      -8.548045      3.926034      7.979802
  H      -8.519281      5.511938      7.230677
  H      -8.054530      2.343684      3.106298
  H     -12.615064      2.738657      3.534184
  H     -14.141472      3.763827      5.233371
  H     -13.191506      4.855102      7.261454
  H     -10.747899      4.944491      7.606530
  N      -5.298564      3.646606      3.853622
  H      -6.170331      4.047659      4.239054
  H      -5.634149      2.775638      3.422492
  H      -5.004862      4.234689      3.070226
99
Coordinates from ORCA-job orca E -6204.931883511019
  N      -2.887585      1.590322      4.525047
  Mo     -3.606353      3.253202      5.336887
  N      -4.573692      3.018546      7.028566
  C      -3.766486      2.954306      8.250890
  C      -2.423098      2.311599      7.915930
  N      -1.876965      2.906052      6.661668
  C      -0.958816      1.971442      5.949007
  C      -1.751416      0.934895      5.160645
  C      -1.219639      4.225726      6.893127
  C      -1.315683      5.035018      5.597820
  N      -2.708083      5.047051      5.140275
  H      -1.073787      0.481228      4.410693
  H      -2.073623      0.106066      5.823059
  H      -0.369357      2.576601      5.247736
  H      -0.261335      1.494959      6.661027
  H      -0.935164      6.057523      5.768856
  H      -0.668170      4.588935      4.824956
  H      -1.781314      4.742861      7.684290
  H      -0.181113      4.082178      7.244347
  H      -4.262223      2.340653      9.025353
  H      -3.614933      3.957361      8.698675
  H      -2.580388      1.241056      7.722414
  H      -1.696392      2.412933      8.741738
  C      -3.641637      0.790576      3.573806
  C      -4.015048     -0.642160      3.987669
  C      -5.407497     -1.023297      3.410539
  C      -5.659675     -0.514644      2.018368
  N      -6.332010      0.642915      1.916344
  C      -6.518756      1.143682      0.671442
  N      -6.111855      0.637512     -0.480207
  C      -5.426916     -0.547314     -0.404922
  C      -4.954518     -1.151491     -1.592581
  C      -4.249069     -2.342708     -1.537984
  C      -3.994578     -2.968099     -0.299405
  C      -4.447049     -2.400132      0.879343
  C      -5.172079     -1.180985      0.855895
  C      -3.444647      6.231105      5.593133
  C      -3.338378      7.447775      4.663217
  C      -4.175327      7.287673      3.392692
  C      -5.662189      7.208315      3.656564
  N      -6.124394      7.780408      4.773279
  C      -7.445528      7.665090      5.037483
  N      -8.363509      7.017553      4.338225
  C      -7.923588      6.434494      3.179794
  C      -8.840380      5.713052      2.381473
  C      -8.423487      5.106531      1.208630
  C      -7.080383      5.210217      0.789913
  C      -6.162682      5.915389      1.548997
  C      -6.552482      6.528829      2.768463
  C      -6.026827      3.036845      7.215149
  C      -6.629343      4.447078      7.109053
  C      -8.156338      4.489022      7.107106
  C      -8.831356      3.938786      5.876288
  N      -8.074837      3.435610      4.898377
  C      -8.702488      2.865872      3.837540
  N     -10.001573      2.756198      3.634946
  C     -10.806710      3.319618      4.593213
  C     -12.208982      3.288812      4.420004
  C     -13.043890      3.846824      5.374861
  C     -12.505096      4.446955      6.530869
  C     -11.134858      4.488960      6.726590
  C     -10.256256      3.932182      5.764442
  H      -3.149804      0.768487      2.578582
  H      -4.591717      1.309720      3.420245
  H      -4.095062     -0.707786      5.083898
  H      -3.243239     -1.360388      3.672337
  H      -5.543173     -2.114086      3.457877
  H      -6.175244     -0.563920      4.049964
  H      -7.071749      2.087522      0.622596
  H      -5.163482     -0.650305     -2.538822
  H      -3.886414     -2.803820     -2.458624
  H      -3.437374     -3.906256     -0.272594
  H      -4.244848     -2.890259      1.832555
  H      -4.510366      5.976029      5.699658
  H      -3.107804      6.518685      6.608858
  H      -2.284571      7.613380      4.387568
  H      -3.680846      8.337929      5.210244
  H      -3.986343      8.136123      2.710329
  H      -3.843206      6.389689      2.848238
  H      -7.786337      8.158025      5.954736
  H      -9.872458      5.638258      2.726628
  H      -9.134522      4.533369      0.611818
  H      -6.761748      4.725203     -0.133465
  H      -5.129907      5.998125      1.206282
  H      -6.281527      2.604405      8.201155
  H      -6.497214      2.399720      6.452451
  H      -6.259224      5.067336      7.941159
  H      -6.255393      4.919153      6.189008
  H      -8.545602      3.938022      7.984311
  H      -8.491498      5.530626      7.250013
  H      -8.043158      2.427656      3.078333
  H     -12.602309      2.817325      3.518138
  H     -14.125260      3.823007      5.232612
  H     -13.173233      4.883428      7.275611
  H     -10.729320      4.962242      7.621508
  N      -5.305187      3.616856      3.881686
  H      -6.188798      3.978219      4.286054
  H      -5.615280      2.746134      3.427741
  H      -5.037995      4.230804      3.108822
99
Coordinates from ORCA-job orca E -6204.932980243746
  N      -2.869478      1.589968      4.534821
  Mo     -3.605009      3.242423      5.351624
  N      -4.584357      3.003861      7.035852
  C      -3.784506      2.945391      8.263233
  C      -2.435616      2.307272      7.938544
  N      -1.883424      2.903213      6.687788
  C      -0.955857      1.972270      5.981093
  C      -1.739595      0.935884      5.183224
  C      -1.233958      4.225370      6.923398
  C      -1.326150      5.033661      5.626932
  N      -2.715831      5.040861      5.161660
  H      -1.053923      0.483371      4.439952
  H      -2.066884      0.106307      5.842418
  H      -0.362996      2.580046      5.285147
  H      -0.263578      1.495856      6.697976
  H      -0.949831      6.057260      5.801190
  H      -0.671326      4.590091      4.858575
  H      -1.802330      4.741317      7.710398
  H      -0.195992      4.088421      7.279583
  H      -4.282592      2.331566      9.036179
  H      -3.639481      3.950116      8.709572
  H      -2.586445      1.235577      7.745993
  H      -1.716047      2.413931      8.769911
  C      -3.601261      0.794442      3.563868
  C      -4.000795     -0.632098      3.975320
  C      -5.398144     -0.990130      3.395041
  C      -5.635842     -0.478414      2.001882
  N      -6.276341      0.696847      1.897910
  C      -6.450268      1.200893      0.652756
  N      -6.060491      0.679647     -0.498959
  C      -5.408201     -0.523538     -0.421961
  C      -4.958294     -1.146033     -1.609579
  C      -4.287886     -2.357369     -1.553009
  C      -4.046250     -2.984665     -0.312757
  C      -4.476966     -2.398910      0.865970
  C      -5.167270     -1.159666      0.840249
  C      -3.450636      6.234788      5.587464
  C      -3.331765      7.435334      4.637726
  C      -4.163974      7.260723      3.366353
  C      -5.653491      7.197599      3.624321
  N      -6.115846      7.780194      4.735402
  C      -7.440392      7.681136      4.991135
  N      -8.362407      7.045937      4.286515
  C      -7.921715      6.453650      3.132359
  C      -8.843058      5.746878      2.326150
  C      -8.424841      5.130935      1.159417
  C      -7.075678      5.207448      0.756858
  C      -6.153249      5.898632      1.523082
  C      -6.545793      6.524239      2.734683
  C      -6.036964      3.031775      7.213592
  C      -6.627222      4.448503      7.109539
  C      -8.153342      4.500714      7.108868
  C      -8.834528      3.945011      5.883496
  N      -8.085559      3.445706      4.896518
  C      -8.721320      2.865938      3.846641
  N     -10.021741      2.738080      3.663030
  C     -10.819546      3.296195      4.629277
  C     -12.223466      3.246321      4.477310
  C     -13.050886      3.799424      5.441517
  C     -12.503011      4.413498      6.585774
  C     -11.130940      4.474188      6.761114
  C     -10.260049      3.922844      5.789362
  H      -3.082165      0.766478      2.582520
  H      -4.541816      1.323574      3.382398
  H      -4.085237     -0.693150      5.071413
  H      -3.242030     -1.365938      3.663971
  H      -5.554135     -2.077995      3.445586
  H      -6.158632     -0.514628      4.031367
  H      -6.977532      2.159734      0.602125
  H      -5.156685     -0.643478     -2.557400
  H      -3.943266     -2.833098     -2.473388
  H      -3.516850     -3.938697     -0.284616
  H      -4.286216     -2.890308      1.821044
  H      -4.518205      5.986632      5.689521
  H      -3.121805      6.542811      6.599982
  H      -2.275860      7.589513      4.363196
  H      -3.670917      8.337463      5.166939
  H      -3.966173      8.096581      2.671212
  H      -3.835220      6.352232      2.837521
  H      -7.780698      8.178145      5.906690
  H      -9.879445      5.691091      2.661221
  H      -9.138613      4.568937      0.555281
  H      -6.755834      4.713635     -0.160622
  H      -5.115598      5.959864      1.191890
  H      -6.301138      2.594839      8.195602
  H      -6.508637      2.403343      6.444347
  H      -6.251688      5.062575      7.943872
  H      -6.247755      4.917490      6.190146
  H      -8.542067      3.957973      7.991090
  H      -8.483407      5.544886      7.244896
  H      -8.068235      2.438606      3.077118
  H     -12.624300      2.764290      3.584370
  H     -14.133836      3.760756      5.315921
  H     -13.165955      4.845498      7.337514
  H     -10.717702      4.957287      7.647105
  N      -5.314193      3.598302      3.903451
  H      -6.208316      3.924127      4.321085
  H      -5.600473      2.732840      3.421171
  H      -5.067772      4.239277      3.144285
99
Coordinates from ORCA-job orca E -6204.934003788350
  N      -2.848334      1.591368      4.541562
  Mo     -3.604933      3.235055      5.359192
  N      -4.592744      2.991138      7.038910
  C      -3.799810      2.938137      8.270093
  C      -2.447088      2.306582      7.954606
  N      -1.889577      2.904146      6.708204
  C      -0.952699      1.976961      6.009692
  C      -1.725781      0.939667      5.204160
  C      -1.248193      4.228584      6.948185
  C      -1.334844      5.036065      5.651989
  N      -2.721652      5.035997      5.178818
  H      -1.031821      0.486796      4.468580
  H      -2.060503      0.110439      5.860247
  H      -0.355547      2.587378      5.319855
  H      -0.265923      1.502626      6.733107
  H      -0.965017      6.061499      5.828596
  H      -0.672248      4.595771      4.888178
  H      -1.825350      4.741576      7.730805
  H      -0.212481      4.095713      7.311970
  H      -4.299794      2.321914      9.040200
  H      -3.662458      3.943792      8.716481
  H      -2.591168      1.234117      7.761082
  H      -1.733362      2.417519      8.790330
  C      -3.558048      0.798018      3.551327
  C      -3.983724     -0.622838      3.959288
  C      -5.386696     -0.959896      3.378761
  C      -5.619406     -0.449346      1.984350
  N      -6.243284      0.735163      1.876562
  C      -6.417720      1.234162      0.629834
  N      -6.043493      0.699814     -0.521005
  C      -5.407993     -0.511984     -0.440163
  C      -4.975370     -1.148307     -1.626671
  C      -4.321643     -2.368353     -1.566979
  C      -4.079857     -2.991235     -0.324560
  C      -4.494428     -2.392459      0.853021
  C      -5.167476     -1.144038      0.824096
  C      -3.458311      6.237203      5.578769
  C      -3.324278      7.425513      4.615995
  C      -4.148185      7.239726      3.341177
  C      -5.638894      7.187842      3.589055
  N      -6.104013      7.779804      4.693604
  C      -7.431237      7.692987      4.941116
  N      -8.353234      7.062963      4.232653
  C      -7.909066      6.461364      3.084143
  C      -8.832038      5.762627      2.273007
  C      -8.411934      5.137772      1.112021
  C      -7.058299      5.196117      0.721325
  C      -6.133244      5.879448      1.492029
  C      -6.529519      6.516070      2.696865
  C      -6.045967      3.025613      7.215741
  C      -6.633271      4.445664      7.131236
  C      -8.160162      4.500756      7.137087
  C      -8.845844      3.951362      5.912236
  N      -8.098309      3.467627      4.916627
  C      -8.734095      2.893945      3.863612
  N     -10.033916      2.753751      3.686625
  C     -10.831535      3.295096      4.663006
  C     -12.235918      3.231332      4.519576
  C     -13.063415      3.768322      5.492817
  C     -12.515266      4.379982      6.638377
  C     -11.142495      4.453762      6.805934
  C     -10.271601      3.917936      5.825181
  H      -3.010652      0.762417      2.586426
  H      -4.486529      1.335025      3.339509
  H      -4.070817     -0.681159      5.055372
  H      -3.236888     -1.369861      3.650986
  H      -5.559396     -2.044985      3.432192
  H      -6.139666     -0.471625      4.014676
  H      -6.930624      2.200631      0.577312
  H      -5.173057     -0.649196     -2.576430
  H      -3.990440     -2.854312     -2.486466
  H      -3.563297     -3.952061     -0.293974
  H      -4.303549     -2.880001      1.810046
  H      -4.527392      5.993337      5.671255
  H      -3.140785      6.557740      6.591031
  H      -2.265381      7.568988      4.347982
  H      -3.661612      8.336284      5.131518
  H      -3.940496      8.065070      2.636260
  H      -3.821136      6.322522      2.826661
  H      -7.773212      8.196133      5.852396
  H      -9.871576      5.720064      2.600151
  H      -9.127396      4.582301      0.503666
  H      -6.736353      4.694196     -0.191524
  H      -5.092209      5.927122      1.169388
  H      -6.312249      2.578090      8.192841
  H      -6.519608      2.406515      6.439636
  H      -6.253634      5.048053      7.972259
  H      -6.255788      4.926048      6.216772
  H      -8.546850      3.954673      8.017641
  H      -8.488007      5.544759      7.279141
  H      -8.080677      2.480275      3.086438
  H     -12.637289      2.752059      3.625431
  H     -14.147218      3.718876      5.373323
  H     -13.178217      4.799441      7.396968
  H     -10.729071      4.934589      7.692869
  N      -5.320777      3.581902      3.915622
  H      -6.225503      3.867653      4.344939
  H      -5.583934      2.723115      3.410452
  H      -5.097247      4.251412      3.173840
99
Coordinates from ORCA-job orca E -6204.934994006285
  N      -2.827017      1.600151      4.545164
  Mo     -3.603820      3.231022      5.370375
  N      -4.592565      2.975489      7.047494
  C      -3.804636      2.923705      8.280755
  C      -2.447794      2.301261      7.968802
  N      -1.889539      2.906342      6.727013
  C      -0.944112      1.987088      6.029530
  C      -1.707765      0.950556      5.215304
  C      -1.258291      4.233477      6.973377
  C      -1.346693      5.045582      5.680716
  N      -2.732085      5.037478      5.203957
  H      -1.008577      0.500874      4.482616
  H      -2.045438      0.118520      5.866590
  H      -0.346087      2.603806      5.346107
  H      -0.259829      1.513358      6.755534
  H      -0.985377      6.072767      5.864334
  H      -0.676609      4.614976      4.917608
  H      -1.841412      4.740335      7.755542
  H      -0.222512      4.107327      7.339131
  H      -4.304431      2.302985      9.047431
  H      -3.673599      3.928979      8.729704
  H      -2.584299      1.228656      7.770742
  H      -1.738219      2.414708      8.807724
  C      -3.516289      0.809332      3.538426
  C      -3.971668     -0.602909      3.948692
  C      -5.382283     -0.917485      3.373619
  C      -5.609348     -0.416406      1.974988
  N      -6.206290      0.781098      1.856969
  C      -6.380325      1.269541      0.606473
  N      -6.029419      0.712553     -0.541033
  C      -5.420140     -0.511828     -0.449903
  C      -5.012582     -1.171756     -1.632338
  C      -4.384526     -2.404537     -1.563466
  C      -4.143711     -3.017370     -0.315682
  C      -4.534347     -2.395905      0.857946
  C      -5.181222     -1.134019      0.819548
  C      -3.472065      6.243077      5.584243
  C      -3.328709      7.422830      4.610866
  C      -4.144176      7.228485      3.331919
  C      -5.636890      7.183657      3.567759
  N      -6.108331      7.772131      4.671637
  C      -7.437976      7.688717      4.908292
  N      -8.356762      7.066201      4.189145
  C      -7.905349      6.468740      3.040605
  C      -8.825008      5.777348      2.219296
  C      -8.398416      5.157277      1.058085
  C      -7.041654      5.213021      0.679473
  C      -6.118442      5.888605      1.459682
  C      -6.522809      6.520723      2.664376
  C      -6.045712      3.009992      7.218023
  C      -6.629741      4.431503      7.144745
  C      -8.156565      4.487404      7.154411
  C      -8.842816      3.943702      5.927258
  N      -8.095845      3.475745      4.923584
  C      -8.731273      2.916766      3.862591
  N     -10.030970      2.771162      3.686897
  C     -10.828291      3.291048      4.674951
  C     -12.233106      3.217161      4.537378
  C     -13.060469      3.735318      5.520594
  C     -12.512669      4.338935      6.671038
  C     -11.139735      4.421950      6.833443
  C     -10.268725      3.903327      5.843227
  H      -2.939565      0.761456      2.591949
  H      -4.431237      1.354660      3.293824
  H      -4.056135     -0.651723      5.045603
  H      -3.242243     -1.368302      3.644068
  H      -5.575039     -1.998439      3.437260
  H      -6.124900     -0.410077      4.007064
  H      -6.870409      2.247143      0.547880
  H      -5.207983     -0.680722     -2.586798
  H      -4.072706     -2.908225     -2.480004
  H      -3.646976     -3.988303     -0.277930
  H      -4.344669     -2.874559      1.819688
  H      -4.541772      6.001725      5.673864
  H      -3.160458      6.576589      6.594220
  H      -2.267251      7.558885      4.349139
  H      -3.665429      8.339632      5.115839
  H      -3.927229      8.043494      2.617925
  H      -3.815893      6.303447      2.831557
  H      -7.784945      8.186696      5.820574
  H      -9.867013      5.738134      2.539155
  H      -9.110372      4.607738      0.440250
  H      -6.713037      4.711648     -0.231201
  H      -5.074531      5.932010      1.146183
  H      -6.318975      2.552140      8.188567
  H      -6.515627      2.399403      6.433136
  H      -6.245561      5.025669      7.989128
  H      -6.253890      4.915310      6.231568
  H      -8.542798      3.939857      8.033921
  H      -8.484050      5.531303      7.298072
  H      -8.077305      2.522789      3.075810
  H     -12.634787      2.745821      3.639061
  H     -14.144519      3.678166      5.405623
  H     -13.176479      4.744270      7.436545
  H     -10.725708      4.895826      7.723916
  N      -5.323119      3.571929      3.926068
  H      -6.236884      3.834124      4.356791
  H      -5.566668      2.727120      3.388731
  H      -5.111518      4.271005      3.208772
99
Coordinates from ORCA-job orca E -6204.936003303975
  N      -2.798404      1.605993      4.551260
  Mo     -3.596440      3.228345      5.376779
  N      -4.593583      2.966455      7.048324
  C      -3.814883      2.916978      8.286832
  C      -2.454714      2.299716      7.984503
  N      -1.888198      2.906815      6.747660
  C      -0.934843      1.990255      6.058160
  C      -1.688817      0.954940      5.235127
  C      -1.263633      4.236140      6.998806
  C      -1.346172      5.049895      5.707677
  N      -2.729060      5.034692      5.224100
  H      -0.982835      0.503898      4.509872
  H      -2.036755      0.122914      5.881253
  H      -0.330172      2.609318      5.382629
  H      -0.257581      1.517076      6.791160
  H      -0.992630      6.078885      5.895236
  H      -0.668363      4.625093      4.948028
  H      -1.855162      4.739425      7.777081
  H      -0.230586      4.112420      7.372602
  H      -4.318927      2.293545      9.048608
  H      -3.690747      3.922248      8.737963
  H      -2.586341      1.227018      7.783414
  H      -1.751364      2.414221      8.828545
  C      -3.464722      0.818812      3.526122
  C      -3.954573     -0.583497      3.937082
  C      -5.371781     -0.867307      3.364142
  C      -5.590027     -0.370971      1.962936
  N      -6.154553      0.841931      1.838017
  C      -6.323738      1.324370      0.584825
  N      -5.996143      0.748470     -0.559865
  C      -5.417363     -0.490090     -0.461528
  C      -5.032956     -1.169029     -1.640618
  C      -4.433756     -2.415681     -1.565661
  C      -4.199817     -3.024571     -0.314625
  C      -4.569013     -2.385092      0.855830
  C      -5.185896     -1.108531      0.811259
  C      -3.473834      6.243971      5.582460
  C      -3.325693      7.410282      4.593623
  C      -4.141502      7.198850      3.317329
  C      -5.634133      7.160373      3.550569
  N      -6.106142      7.756528      4.650112
  C      -7.437002      7.680576      4.883669
  N      -8.356069      7.058852      4.164340
  C      -7.904007      6.454376      3.019678
  C      -8.825984      5.767699      2.197169
  C      -8.400783      5.143814      1.036719
  C      -7.042529      5.191162      0.661319
  C      -6.115643      5.859202      1.444002
  C      -6.519933      6.496550      2.647009
  C      -6.048187      3.004489      7.209897
  C      -6.628793      4.425751      7.134828
  C      -8.155926      4.486464      7.147220
  C      -8.851145      3.942217      5.925108
  N      -8.112430      3.479005      4.913504
  C      -8.756046      2.924908      3.854670
  N     -10.056852      2.776544      3.689983
  C     -10.846411      3.287045      4.689457
  C     -12.252594      3.205818      4.566625
  C     -13.072747      3.715510      5.560002
  C     -12.516400      4.318578      6.706629
  C     -11.141766      4.408278      6.854554
  C     -10.278007      3.897277      5.853816
  H      -2.855372      0.754989      2.601820
  H      -4.361831      1.374410      3.244284
  H      -4.040267     -0.626715      5.034262
  H      -3.242603     -1.366497      3.636474
  H      -5.589483     -1.943211      3.433161
  H      -6.102584     -0.339872      3.995301
  H      -6.786945      2.314461      0.522844
  H      -5.221706     -0.680965     -2.597910
  H      -4.139243     -2.933169     -2.480151
  H      -3.725412     -4.006477     -0.271910
  H      -4.384631     -2.860469      1.820109
  H      -4.543279      6.001648      5.669443
  H      -3.167944      6.588864      6.590351
  H      -2.263203      7.537564      4.332074
  H      -3.658997      8.334642      5.086633
  H      -3.920800      8.000195      2.589164
  H      -3.815626      6.263598      2.833471
  H      -7.784363      8.185838      5.791611
  H      -9.869225      5.737592      2.514092
  H      -9.115358      4.600822      0.416305
  H      -6.714923      4.689707     -0.250832
  H      -5.070623      5.896503      1.132818
  H      -6.329175      2.546192      8.178043
  H      -6.512302      2.393764      6.422089
  H      -6.241999      5.019649      7.978031
  H      -6.253608      4.907573      6.220382
  H      -8.543823      3.946722      8.030691
  H      -8.477552      5.533098      7.286402
  H      -8.107929      2.540456      3.058590
  H     -12.661148      2.735754      3.670814
  H     -14.157777      3.652356      5.456281
  H     -13.174533      4.717798      7.480137
  H     -10.720913      4.881429      7.742277
  N      -5.317818      3.564090      3.935151
  H      -6.237493      3.799956      4.372704
  H      -5.545519      2.729875      3.374823
  H      -5.121932      4.290828      3.241468
99
Coordinates from ORCA-job orca E -6204.936997177978
  N      -2.763822      1.611890      4.556363
  Mo     -3.586136      3.220678      5.385894
  N      -4.588120      2.945096      7.052427
  C      -3.816331      2.897130      8.295582
  C      -2.449299      2.291875      7.998211
  N      -1.880211      2.907758      6.765951
  C      -0.915750      2.000548      6.079495
  C      -1.657955      0.963120      5.248589
  C      -1.268615      4.242612      7.023078
  C      -1.352812      5.059246      5.733563
  N      -2.734041      5.031421      5.245374
  H      -0.945080      0.516068      4.527864
  H      -2.008144      0.127949      5.889480
  H      -0.310557      2.625942      5.410074
  H      -0.239965      1.529954      6.815628
  H      -1.011408      6.091351      5.925950
  H      -0.667058      4.644544      4.975393
  H      -1.868544      4.738580      7.799570
  H      -0.236312      4.127016      7.401575
  H      -4.320287      2.267581      9.052148
  H      -3.702684      3.901750      8.751271
  H      -2.571384      1.219005      7.792302
  H      -1.751401      2.408362      8.846489
  C      -3.406789      0.826845      3.516699
  C      -3.924685     -0.566252      3.931556
  C      -5.350207     -0.823965      3.369813
  C      -5.567721     -0.331500      1.967873
  N      -6.099375      0.895851      1.840780
  C      -6.269093      1.374384      0.585909
  N      -5.971173      0.781762     -0.558144
  C      -5.424411     -0.471125     -0.457441
  C      -5.071435     -1.168205     -1.635631
  C      -4.504250     -2.429857     -1.558465
  C      -4.272443     -3.036261     -0.305930
  C      -4.611777     -2.379164      0.863964
  C      -5.195194     -1.087001      0.817234
  C      -3.489611      6.238816      5.585592
  C      -3.347618      7.393658      4.582493
  C      -4.164438      7.163164      3.310117
  C      -5.657499      7.126422      3.543934
  N      -6.129748      7.721024      4.644513
  C      -7.461374      7.649220      4.874419
  N      -8.381352      7.034277      4.150043
  C      -7.929602      6.433115      3.004041
  C      -8.853154      5.757498      2.174338
  C      -8.428268      5.140741      1.009013
  C      -7.068763      5.183813      0.637206
  C      -6.140117      5.838457      1.428680
  C      -6.544069      6.469552      2.635457
  C      -6.043844      2.983194      7.205228
  C      -6.617132      4.406770      7.138632
  C      -8.142892      4.477162      7.146396
  C      -8.837531      3.945051      5.918872
  N      -8.099354      3.491240      4.902743
  C      -8.744052      2.954811      3.835568
  N     -10.045456      2.812056      3.669010
  C     -10.834091      3.309158      4.675844
  C     -12.240436      3.230706      4.552644
  C     -13.059689      3.729358      5.552396
  C     -12.502219      4.318445      6.705585
  C     -11.127395      4.404508      6.853752
  C     -10.264702      3.904021      5.846925
  H      -2.767922      0.747013      2.613447
  H      -4.286859      1.391802      3.201020
  H      -4.004960     -0.605287      5.029239
  H      -3.229512     -1.363744      3.629677
  H      -5.589153     -1.895136      3.445576
  H      -6.066550     -0.279132      4.002692
  H      -6.704437      2.376584      0.522984
  H      -5.257868     -0.681821     -2.594232
  H      -4.233423     -2.961004     -2.472715
  H      -3.823552     -4.030094     -0.261349
  H      -4.429652     -2.853082      1.829373
  H      -4.557121      5.988835      5.672967
  H      -3.187966      6.595391      6.590588
  H      -2.285724      7.521077      4.318466
  H      -3.683200      8.322480      5.065351
  H      -3.944653      7.953810      2.570190
  H      -3.837912      6.221148      2.838579
  H      -7.809361      8.154950      5.781990
  H      -9.897474      5.732169      2.487992
  H      -9.144485      4.608605      0.381320
  H      -6.741833      4.691191     -0.280049
  H      -5.094054      5.872282      1.120620
  H      -6.332813      2.516767      8.166783
  H      -6.502974      2.379858      6.409035
  H      -6.229566      4.992736      7.986979
  H      -6.237122      4.892186      6.228142
  H      -8.538827      3.938142      8.026866
  H      -8.456658      5.526466      7.287412
  H      -8.096889      2.582525      3.033825
  H     -12.649741      2.772175      3.651169
  H     -14.144381      3.668694      5.448544
  H     -13.159657      4.709689      7.483951
  H     -10.705484      4.867052      7.746766
  N      -5.307981      3.546579      3.944530
  H      -6.233148      3.756898      4.383069
  H      -5.516634      2.723603      3.358556
  H      -5.124624      4.299586      3.275838
99
Coordinates from ORCA-job orca E -6204.936932970449
  N      -2.739940      1.622950      4.564331
  Mo     -3.590333      3.213206      5.398466
  N      -4.584982      2.932758      7.070015
  C      -3.812558      2.883149      8.311305
  C      -2.444264      2.285858      8.011038
  N      -1.877829      2.906390      6.780279
  C      -0.908024      2.003993      6.099131
  C      -1.646133      0.967988      5.265788
  C      -1.276133      4.246514      7.038671
  C      -1.359521      5.065962      5.750212
  N      -2.741268      5.026768      5.259402
  H      -0.930728      0.519672      4.552774
  H      -2.007935      0.132916      5.899473
  H      -0.301905      2.632364      5.435023
  H      -0.235192      1.535426      6.837432
  H      -1.027949      6.101347      5.942481
  H      -0.668056      4.657890      4.993713
  H      -1.886098      4.736603      7.810879
  H      -0.246249      4.136484      7.424137
  H      -4.313634      2.245616      9.064073
  H      -3.704280      3.885936      8.771942
  H      -2.561907      1.213301      7.801595
  H      -1.745454      2.402770      8.856797
  C      -3.352774      0.838466      3.501622
  C      -3.914353     -0.535875      3.922571
  C      -5.345810     -0.763445      3.369005
  C      -5.562481     -0.279034      1.965863
  N      -6.075472      0.957622      1.833685
  C      -6.255674      1.424807      0.576711
  N      -5.979926      0.815536     -0.565731
  C      -5.447539     -0.443569     -0.459553
  C      -5.115573     -1.154880     -1.634968
  C      -4.563139     -2.421430     -1.553029
  C      -4.327232     -3.019485     -0.298048
  C      -4.647371     -2.349016      0.869151
  C      -5.213664     -1.051153      0.817613
  C      -3.503381      6.235920      5.580462
  C      -3.366266      7.381565      4.565858
  C      -4.178238      7.136877      3.294883
  C      -5.665095      7.090126      3.515436
  N      -6.149938      7.674237      4.605852
  C      -7.475961      7.593148      4.818915
  N      -8.377209      6.976113      4.088121
  C      -7.912146      6.387044      2.951403
  C      -8.817624      5.715920      2.112337
  C      -8.384541      5.124841      0.949450
  C      -7.033246      5.186556      0.590891
  C      -6.119510      5.829970      1.395341
  C      -6.533344      6.437290      2.598463
  C      -6.040857      2.975741      7.227369
  C      -6.613323      4.398575      7.165890
  C      -8.137982      4.469990      7.176696
  C      -8.835911      3.942696      5.946088
  N      -8.100768      3.505354      4.922732
  C      -8.742402      2.987825      3.840562
  N     -10.038906      2.844853      3.667752
  C     -10.824829      3.320862      4.685525
  C     -12.225588      3.240587      4.556813
  C     -13.043201      3.720539      5.563216
  C     -12.489586      4.292712      6.728974
  C     -11.119856      4.381067      6.882918
  C     -10.258937      3.898625      5.870025
  H      -2.668248      0.731410      2.630983
  H      -4.200841      1.418428      3.125167
  H      -3.993045     -0.563037      5.020684
  H      -3.242305     -1.354381      3.628472
  H      -5.606930     -1.828493      3.453082
  H      -6.047454     -0.200760      4.002018
  H      -6.679967      2.434758      0.512502
  H      -5.305245     -0.674945     -2.595758
  H      -4.308008     -2.961982     -2.465486
  H      -3.889943     -4.016950     -0.249238
  H      -4.460932     -2.815488      1.836511
  H      -4.569580      5.979303      5.665583
  H      -3.207554      6.601839      6.583659
  H      -2.306888      7.508194      4.303340
  H      -3.703367      8.311835      5.038664
  H      -3.962266      7.918701      2.547130
  H      -3.844621      6.194777      2.837245
  H      -7.837001      8.096205      5.714280
  H      -9.856592      5.678514      2.415171
  H      -9.088897      4.601536      0.311009
  H      -6.701711      4.720663     -0.329155
  H      -5.080258      5.877877      1.097689
  H      -6.329345      2.507877      8.187560
  H      -6.499921      2.373151      6.429850
  H      -6.221297      4.984432      8.014979
  H      -6.238316      4.884822      6.253962
  H      -8.536773      3.936125      8.057700
  H      -8.446147      5.519969      7.316004
  H      -8.096086      2.634697      3.029477
  H     -12.631787      2.796337      3.645074
  H     -14.123477      3.658494      5.454511
  H     -13.145546      4.669621      7.511762
  H     -10.700824      4.831209      7.785039
  N      -5.338446      3.506501      3.974320
  H      -6.261315      3.686385      4.452755
  H      -5.557744      2.699667      3.364144
  H      -5.194337      4.281484      3.312611
99
Coordinates from ORCA-job orca E -6204.937105153921
  N      -2.724678      1.650318      4.556137
  Mo     -3.591825      3.221813      5.407075
  N      -4.578034      2.929032      7.082616
  C      -3.800701      2.864320      8.320937
  C      -2.432143      2.268396      8.004964
  N      -1.870628      2.899206      6.776770
  C      -0.893714      2.005640      6.094559
  C      -1.632590      0.977253      5.258462
  C      -1.271095      4.238055      7.046461
  C      -1.355719      5.069600      5.760103
  N      -2.744983      5.036998      5.273688
  H      -0.915096      0.528636      4.540528
  H      -2.002458      0.135344      5.891979
  H      -0.285426      2.639191      5.432199
  H      -0.219962      1.534919      6.835171
  H      -1.026239      6.106147      5.954149
  H      -0.662629      4.666394      4.997388
  H      -1.885655      4.721061      7.823251
  H      -0.238501      4.123107      7.433610
  H      -4.298607      2.217497      9.069851
  H      -3.689706      3.861392      8.793373
  H      -2.549662      1.197578      7.785856
  H      -1.727118      2.377639      8.848626
  C      -3.315637      0.871251      3.481522
  C      -3.926319     -0.480111      3.913055
  C      -5.360166     -0.697057      3.354373
  C      -5.563666     -0.246640      1.941335
  N      -6.063721      1.001324      1.779494
  C      -6.241717      1.442185      0.513704
  N      -5.970630      0.796544     -0.613234
  C      -5.446904     -0.474019     -0.477178
  C      -5.118514     -1.220696     -1.634502
  C      -4.575418     -2.495811     -1.522456
  C      -4.347976     -3.067678     -0.255571
  C      -4.666764     -2.363086      0.894687
  C      -5.221659     -1.055553      0.812951
  C      -3.497160      6.249290      5.599567
  C      -3.345786      7.391823      4.584622
  C      -4.160597      7.144535      3.304189
  C      -5.662838      7.105964      3.522076
  N      -6.152641      7.687133      4.626536
  C      -7.494772      7.610408      4.834164
  N      -8.407847      6.999252      4.085461
  C      -7.935101      6.410369      2.935613
  C      -8.849767      5.739592      2.079815
  C      -8.407957      5.154895      0.906082
  C      -7.035527      5.215914      0.555406
  C      -6.111189      5.854180      1.376187
  C      -6.537083      6.458383      2.587879
  C      -6.035968      2.970761      7.239158
  C      -6.619822      4.390932      7.181733
  C      -8.144845      4.453410      7.196197
  C      -8.839429      3.923418      5.960325
  N      -8.098594      3.490375      4.927296
  C      -8.734983      2.985866      3.830662
  N     -10.030194      2.850519      3.652688
  C     -10.822026      3.315296      4.682592
  C     -12.222670      3.241447      4.550813
  C     -13.046708      3.711270      5.567644
  C     -12.498849      4.266736      6.746636
  C     -11.129423      4.350996      6.903809
  C     -10.262391      3.879273      5.881724
  H      -2.588872      0.721132      2.649192
  H      -4.115707      1.478026      3.042430
  H      -4.009614     -0.484771      5.011517
  H      -3.272886     -1.321234      3.639896
  H      -5.637934     -1.758440      3.459922
  H      -6.059422     -0.111665      3.969836
  H      -6.663293      2.462978      0.430092
  H      -5.303324     -0.759710     -2.605554
  H      -4.323726     -3.062293     -2.420778
  H      -3.919145     -4.071588     -0.182911
  H      -4.485386     -2.810152      1.871849
  H      -4.566438      5.998663      5.686676
  H      -3.196256      6.612127      6.602794
  H      -2.277293      7.506063      4.324505
  H      -3.677929      8.328254      5.060763
  H      -3.936644      7.919895      2.550270
  H      -3.826515      6.193038      2.846302
  H      -7.858396      8.107277      5.743238
  H      -9.902784      5.699923      2.379209
  H      -9.119964      4.632712      0.253742
  H      -6.691927      4.755274     -0.369031
  H      -5.054996      5.898712      1.084471
  H      -6.326016      2.495842      8.198438
  H      -6.488503      2.369563      6.435249
  H      -6.227707      4.979897      8.031804
  H      -6.257972      4.883817      6.265969
  H      -8.539274      3.919704      8.078791
  H      -8.457143      5.503028      7.333059
  H      -8.085190      2.642795      3.009223
  H     -12.623886      2.810599      3.628311
  H     -14.128780      3.654170      5.456814
  H     -13.159171      4.635149      7.536886
  H     -10.715542      4.788543      7.815461
  N      -5.364392      3.464116      3.980192
  H      -6.271958      3.615241      4.492014
  H      -5.594607      2.669802      3.345934
  H      -5.254026      4.253505      3.327746
99
Coordinates from ORCA-job orca E -6204.932996355697
  N      -2.708505      1.652966      4.553295
  Mo     -3.579624      3.228130      5.397926
  N      -4.572596      2.918957      7.058588
  C      -3.802030      2.858494      8.299156
  C      -2.431840      2.273940      7.992086
  N      -1.870119      2.912720      6.769995
  C      -0.891599      2.025471      6.088734
  C      -1.628654      0.991631      5.256714
  C      -1.279586      4.252375      7.045975
  C      -1.371290      5.078505      5.771280
  N      -2.745746      5.032016      5.283854
  H      -0.914027      0.540601      4.550400
  H      -1.987905      0.162806      5.882045
  H      -0.288998      2.657310      5.429098
  H      -0.218229      1.556435      6.822613
  H      -1.047031      6.111250      5.975601
  H      -0.682851      4.686747      5.014170
  H      -1.886465      4.730875      7.818744
  H      -0.252079      4.156159      7.425952
  H      -4.294855      2.210468      9.044371
  H      -3.700004      3.854209      8.772622
  H      -2.545244      1.204787      7.775653
  H      -1.738065      2.385518      8.841273
  C      -3.297042      0.867612      3.484575
  C      -3.915692     -0.480984      3.920768
  C      -5.352906     -0.685545      3.373894
  C      -5.562500     -0.236392      1.961582
  N      -6.024917      0.993382      1.802035
  C      -6.198048      1.429496      0.536994
  N      -5.956348      0.797361     -0.588565
  C      -5.468347     -0.456678     -0.454986
  C      -5.158006     -1.190450     -1.609626
  C      -4.633604     -2.451841     -1.497681
  C      -4.408099     -3.020811     -0.232334
  C      -4.714227     -2.326722      0.916903
  C      -5.247285     -1.032801      0.834468
  C      -3.503100      6.239087      5.604169
  C      -3.347550      7.379387      4.593549
  C      -4.147966      7.132774      3.315672
  C      -5.649123      7.106880      3.535980
  N      -6.131221      7.700201      4.649635
  C      -7.476012      7.633335      4.864285
  N      -8.400339      7.021796      4.116620
  C      -7.935445      6.420798      2.956886
  C      -8.854843      5.740602      2.104495
  C      -8.413077      5.130283      0.924371
  C      -7.037804      5.183087      0.562816
  C      -6.113470      5.835110      1.381165
  C      -6.533822      6.458831      2.600965
  C      -6.028984      2.948927      7.199240
  C      -6.617162      4.358724      7.129432
  C      -8.141043      4.419458      7.142947
  C      -8.836585      3.873842      5.928692
  N      -8.097658      3.420023      4.921511
  C      -8.745053      2.921070      3.852988
  N     -10.056647      2.809226      3.682379
  C     -10.846577      3.287953      4.686431
  C     -12.263206      3.238373      4.561007
  C     -13.082295      3.727110      5.558477
  C     -12.514942      4.278038      6.708764
  C     -11.130798      4.338957      6.857736
  C     -10.269049      3.846948      5.855406
  H      -2.562080      0.710218      2.663973
  H      -4.091996      1.475440      3.046670
  H      -3.997291     -0.488785      5.018647
  H      -3.268171     -1.324238      3.640136
  H      -5.636401     -1.739129      3.485081
  H      -6.038192     -0.094778      3.992153
  H      -6.574897      2.430444      0.451474
  H      -5.337353     -0.731108     -2.578863
  H      -4.387787     -3.011175     -2.394446
  H      -3.989926     -4.014303     -0.160063
  H      -4.531594     -2.771612      1.893385
  H      -4.568713      5.987397      5.685948
  H      -3.206044      6.605786      6.605335
  H      -2.281878      7.494830      4.336763
  H      -3.681652      8.314145      5.062952
  H      -3.916357      7.905782      2.561800
  H      -3.819988      6.181462      2.863807
  H      -7.834379      8.134136      5.783434
  H      -9.909550      5.706452      2.412882
  H      -9.126124      4.595272      0.276152
  H      -6.692038      4.701733     -0.361933
  H      -5.055766      5.867815      1.083635
  H      -6.320611      2.478278      8.154643
  H      -6.480163      2.344069      6.400262
  H      -6.228228      4.947330      7.967688
  H      -6.252155      4.837411      6.213892
  H      -8.529432      3.903619      8.032220
  H      -8.456784      5.466485      7.254744
  H      -8.100056      2.565126      3.052430
  H     -12.679314      2.810478      3.660303
  H     -14.177147      3.689418      5.453581
  H     -13.171645      4.663631      7.484924
  H     -10.701024      4.775621      7.747549
  N      -5.293318      3.508763      3.968750
  H      -6.212180      3.668658      4.405198
  H      -5.479782      2.707805      3.343432
  H      -5.144896      4.310923      3.336790
99
Coordinates from ORCA-job orca E -6204.934711028450
  N      -2.652424      1.648150      4.537874
  Mo     -3.563530      3.216489      5.386762
  N      -4.566509      2.883014      7.043597
  C      -3.809221      2.830396      8.295298
  C      -2.420941      2.276554      8.002033
  N      -1.860008      2.930237      6.786978
  C      -0.856569      2.058804      6.112470
  C      -1.563845      1.013970      5.259522
  C      -1.299878      4.278784      7.076742
  C      -1.395883      5.101565      5.798562
  N      -2.767264      5.035033      5.293187
  H      -0.833991      0.567513      4.549065
  H      -1.917389      0.184053      5.890472
  H      -0.249102      2.700500      5.457182
  H      -0.186635      1.600149      6.864402
  H      -1.096310      6.139371      6.013367
  H      -0.689325      4.722452      5.040428
  H      -1.930949      4.744938      7.849335
  H      -0.271781      4.196333      7.473031
  H      -4.303573      2.170328      9.030387
  H      -3.734433      3.829047      8.776986
  H      -2.505795      1.203741      7.773288
  H      -1.734334      2.399275      8.862647
  C      -3.234355      0.851929      3.467524
  C      -3.856050     -0.505905      3.909244
  C      -5.313279     -0.700784      3.388476
  C      -5.549231     -0.231746      1.972156
  N      -6.024536      1.021486      1.813545
  C      -6.227360      1.470984      0.541345
  N      -6.008789      0.829425     -0.592201
  C      -5.507996     -0.448304     -0.459914
  C      -5.221897     -1.196292     -1.627029
  C      -4.683118     -2.484465     -1.519992
  C      -4.421931     -3.067006     -0.246525
  C      -4.704937     -2.360616      0.914170
  C      -5.251821     -1.039518      0.836161
  C      -3.557011      6.228990      5.611417
  C      -3.423987      7.380252      4.610254
  C      -4.203131      7.132892      3.334323
  C      -5.690011      7.080014      3.528946
  N      -6.195124      7.650070      4.616399
  C      -7.522101      7.563230      4.803352
  N      -8.406541      6.950184      4.051349
  C      -7.919903      6.374788      2.918228
  C      -8.802958      5.702925      2.057880
  C      -8.341725      5.125053      0.892018
  C      -6.984658      5.202584      0.557056
  C      -6.093374      5.840817      1.387764
  C      -6.536178      6.436568      2.590819
  C      -6.018463      2.893358      7.184325
  C      -6.594967      4.308330      7.127753
  C      -8.124035      4.389684      7.151240
  C      -8.836966      3.870845      5.934414
  N      -8.110175      3.411185      4.912562
  C      -8.775826      2.938223      3.837238
  N     -10.093590      2.859238      3.670226
  C     -10.870910      3.346910      4.692763
  C     -12.292569      3.332986      4.574868
  C     -13.100863      3.833470      5.591774
  C     -12.517537      4.363407      6.755160
  C     -11.126218      4.387390      6.895864
  C     -10.275340      3.879975      5.872824
  H      -2.498003      0.690268      2.657783
  H      -4.031968      1.454887      3.020033
  H      -3.920231     -0.520089      5.008240
  H      -3.212257     -1.353864      3.619642
  H      -5.602124     -1.763032      3.504509
  H      -5.994774     -0.106816      4.025118
  H      -6.611282      2.489397      0.459010
  H      -5.428475     -0.726689     -2.601264
  H      -4.457061     -3.054485     -2.426720
  H      -3.994190     -4.081398     -0.178322
  H      -4.497432     -2.816428      1.896184
  H      -4.616599      5.957076      5.679327
  H      -3.277862      6.595209      6.618798
  H      -2.369054      7.516518      4.370705
  H      -3.780104      8.300938      5.071643
  H      -3.981363      7.914716      2.590895
  H      -3.855006      6.193430      2.887667
  H      -7.902400      8.062449      5.695800
  H      -9.846909      5.647802      2.344853
  H      -9.026272      4.602257      0.236393
  H      -6.624912      4.749082     -0.365048
  H      -5.047030      5.894713      1.112292
  H      -6.304783      2.414673      8.136782
  H      -6.468681      2.293802      6.381420
  H      -6.198253      4.890416      7.969249
  H      -6.222874      4.792557      6.213984
  H      -8.525722      3.865226      8.039072
  H      -8.418672      5.447589      7.284684
  H      -8.137337      2.575471      3.024709
  H     -12.721409      2.920946      3.663903
  H     -14.197945      3.821852      5.492745
  H     -13.165730      4.760430      7.547618
  H     -10.683244      4.807623      7.796842
  N      -5.276726      3.503032      3.932964
  H      -6.196347      3.650785      4.363906
  H      -5.432595      2.706607      3.300839
  H      -5.128263      4.302014      3.351477
99
Coordinates from ORCA-job orca E -6204.935535121617
  N      -2.691235      1.640494      4.547561
  Mo     -3.577851      3.208541      5.401512
  N      -4.571975      2.898179      7.072571
  C      -3.803755      2.843261      8.317358
  C      -2.422646      2.268500      8.015091
  N      -1.860946      2.908732      6.790863
  C      -0.869960      2.024545      6.111114
  C      -1.594898      0.986133      5.264363
  C      -1.280398      4.254276      7.066933
  C      -1.370003      5.083013      5.778378
  N      -2.755413      5.035649      5.280336
  H      -0.867624      0.536026      4.547883
  H      -1.962243      0.144436      5.903245
  H      -0.263342      2.661646      5.449864
  H      -0.196668      1.561223      6.857883
  H      -1.053163      6.122996      5.981104
  H      -0.666891      4.686101      5.015826
  H      -1.904163      4.732475      7.843501
  H      -0.247064      4.153784      7.458439
  H      -4.301095      2.191240      9.060876
  H      -3.712177      3.842484      8.791537
  H      -2.523398      1.195236      7.793213
  H      -1.726231      2.387383      8.867388
  C      -3.279308      0.852976      3.476710
  C      -3.916976     -0.480193      3.917997
  C      -5.358829     -0.650346      3.392544
  C      -5.570095     -0.187598      1.980493
  N      -6.026780      1.072481      1.828184
  C      -6.202045      1.515169      0.562939
  N      -5.965566      0.858589     -0.570811
  C      -5.483198     -0.424326     -0.444897
  C      -5.182519     -1.185656     -1.610596
  C      -4.676047     -2.472592     -1.506741
  C      -4.458349     -3.042522     -0.240674
  C      -4.749126     -2.325756      0.917371
  C      -5.266311     -1.005837      0.843371
  C      -3.530040      6.246288      5.592798
  C      -3.388615      7.393349      4.574633
  C      -4.188631      7.136914      3.298505
  C      -5.684679      7.086391      3.500859
  N      -6.192911      7.648534      4.595531
  C      -7.524814      7.552992      4.786070
  N      -8.409496      6.939383      4.032054
  C      -7.919173      6.373654      2.891196
  C      -8.802349      5.703372      2.026961
  C      -8.338850      5.138083      0.854307
  C      -6.979388      5.224324      0.513657
  C      -6.086549      5.861199      1.347309
  C      -6.532229      6.444199      2.558205
  C      -6.030922      2.925911      7.228541
  C      -6.610521      4.354608      7.175228
  C      -8.138625      4.423008      7.203987
  C      -8.842581      3.902291      5.972148
  N      -8.118713      3.477015      4.941026
  C      -8.765035      2.992833      3.836837
  N     -10.051940      2.865996      3.649947
  C     -10.823943      3.316083      4.681300
  C     -12.210904      3.241359      4.540873
  C     -13.015881      3.696364      5.559012
  C     -12.461860      4.243457      6.749571
  C     -11.104922      4.327037      6.914569
  C     -10.256832      3.865163      5.891329
  H      -2.543583      0.680288      2.666208
  H      -4.064003      1.460834      3.021388
  H      -3.981027     -0.489915      5.017536
  H      -3.293879     -1.334474      3.629224
  H      -5.660790     -1.697849      3.503506
  H      -6.027432     -0.049429      4.024349
  H      -6.586505      2.546963      0.483099
  H      -5.356958     -0.726392     -2.580066
  H      -4.442545     -3.050552     -2.411614
  H      -4.057571     -4.055275     -0.173833
  H      -4.575691     -2.771183      1.892834
  H      -4.597267      5.985950      5.672665
  H      -3.239686      6.618669      6.596426
  H      -2.322442      7.521894      4.316342
  H      -3.732105      8.331858      5.043402
  H      -3.960128      7.917488      2.547646
  H      -3.848479      6.183080      2.846160
  H      -7.906408      8.040357      5.683335
  H      -9.847824      5.642465      2.317391
  H      -9.024057      4.616307      0.193958
  H      -6.620550      4.778528     -0.417376
  H      -5.037798      5.921777      1.066468
  H      -6.319328      2.447931      8.189439
  H      -6.486092      2.324418      6.426383
  H      -6.210161      4.940477      8.022221
  H      -6.245892      4.846197      6.257177
  H      -8.530419      3.887227      8.090438
  H      -8.448074      5.475670      7.345956
  H      -8.124888      2.656377      3.016463
  H     -12.618282      2.818117      3.609956
  H     -14.085382      3.637223      5.442944
  H     -13.110060      4.602538      7.539762
  H     -10.683907      4.756286      7.834689
  N      -5.329841      3.459744      3.963171
  H      -6.276501      3.607575      4.436511
  H      -5.514044      2.664824      3.334922
  H      -5.204755      4.285670      3.330858
99
Coordinates from ORCA-job orca E -6204.934178492783
  N      -2.683495      1.660853      4.530658
  Mo     -3.575194      3.221419      5.399855
  N      -4.574138      2.895579      7.064932
  C      -3.805023      2.835583      8.309260
  C      -2.427888      2.262970      8.001285
  N      -1.864457      2.912030      6.781010
  C      -0.875221      2.035228      6.095096
  C      -1.598288      1.003208      5.244006
  C      -1.279115      4.257163      7.065742
  C      -1.374398      5.091335      5.791150
  N      -2.755289      5.040248      5.303253
  H      -0.883628      0.566888      4.535946
  H      -1.963188      0.161032      5.868261
  H      -0.274249      2.677525      5.441121
  H      -0.201446      1.568444      6.832902
  H      -1.057166      6.128110      5.998080
  H      -0.684204      4.704503      5.029800
  H      -1.891481      4.725333      7.844567
  H      -0.249157      4.155243      7.447929
  H      -4.300268      2.180953      9.051085
  H      -3.712904      3.831491      8.786398
  H      -2.528709      1.191912      7.776473
  H      -1.735106      2.377059      8.849782
  C      -3.258010      0.877422      3.449156
  C      -3.917412     -0.445507      3.885110
  C      -5.354942     -0.610266      3.334989
  C      -5.537029     -0.184620      1.922539
  N      -5.960062      1.068484      1.740267
  C      -6.107352      1.480800      0.474841
  N      -5.875591      0.797694     -0.632832
  C      -5.429724     -0.479378     -0.473684
  C      -5.143098     -1.263900     -1.606458
  C      -4.675204     -2.542598     -1.465928
  C      -4.480602     -3.083103     -0.197635
  C      -4.759261     -2.342082      0.928745
  C      -5.239900     -1.028671      0.818378
  C      -3.514963      6.246582      5.626916
  C      -3.360527      7.383957      4.603247
  C      -4.162146      7.130342      3.313095
  C      -5.664372      7.092716      3.526974
  N      -6.155768      7.671197      4.635366
  C      -7.499152      7.592777      4.837766
  N      -8.409969      6.976100      4.081062
  C      -7.938008      6.392671      2.926404
  C      -8.847464      5.720780      2.058859
  C      -8.400491      5.149086      0.882401
  C      -7.029928      5.222978      0.536931
  C      -6.111496      5.858918      1.371485
  C      -6.539810      6.449400      2.585917
  C      -6.035155      2.927730      7.210346
  C      -6.616572      4.350866      7.153280
  C      -8.139546      4.413460      7.176395
  C      -8.834540      3.879841      5.947892
  N      -8.085728      3.426685      4.912782
  C      -8.729330      2.926093      3.822056
  N     -10.037624      2.813462      3.654269
  C     -10.837943      3.294818      4.689054
  C     -12.253594      3.243753      4.568771
  C     -13.086050      3.730553      5.593246
  C     -12.529530      4.281127      6.768390
  C     -11.146185      4.343077      6.913210
  C     -10.270341      3.854074      5.883529
  H      -2.497340      0.685486      2.656734
  H      -4.018905      1.506953      2.967311
  H      -3.997875     -0.445679      4.982826
  H      -3.294325     -1.307583      3.612905
  H      -5.677392     -1.648699      3.455126
  H      -6.022817      0.010823      3.938809
  H      -6.466721      2.510118      0.370310
  H      -5.299993     -0.825434     -2.580683
  H      -4.453348     -3.138291     -2.344780
  H      -4.108683     -4.090490     -0.102008
  H      -4.603738     -2.766915      1.906505
  H      -4.582706      5.993400      5.710407
  H      -3.219560      6.609661      6.630477
  H      -2.290766      7.504183      4.347681
  H      -3.703019      8.322466      5.071999
  H      -3.938578      7.903286      2.554721
  H      -3.823959      6.183120      2.861993
  H      -7.862417      8.082462      5.751143
  H      -9.899022      5.667893      2.350558
  H      -9.109089      4.628838      0.221610
  H      -6.684685      4.779170     -0.390658
  H      -5.054884      5.912439      1.087521
  H      -6.324699      2.451915      8.168172
  H      -6.486828      2.325058      6.407170
  H      -6.219616      4.942162      8.001375
  H      -6.257137      4.846634      6.238775
  H      -8.524700      3.881324      8.064707
  H      -8.455379      5.463779      7.312032
  H      -8.069968      2.576298      2.995983
  H     -12.661401      2.815613      3.650228
  H     -14.179245      3.690351      5.493171
  H     -13.196944      4.662391      7.564934
  H     -10.727946      4.776663      7.823052
  N      -5.325061      3.492286      3.986212
  H      -6.250394      3.635603      4.497050
  H      -5.514172      2.702471      3.333938
  H      -5.211300      4.311034      3.356091
99
Coordinates from ORCA-job orca E -6204.934460210274
  N      -2.663706      1.682038      4.541382
  Mo     -3.558161      3.238373      5.399970
  N      -4.568489      2.906997      7.048182
  C      -3.810294      2.846757      8.297092
  C      -2.429153      2.277009      8.003257
  N      -1.858148      2.926389      6.790708
  C      -0.866092      2.050438      6.113620
  C      -1.586386      1.022956      5.261611
  C      -1.278967      4.267990      7.079560
  C      -1.364527      5.104427      5.805792
  N      -2.738436      5.053880      5.308871
  H      -0.861428      0.581250      4.560654
  H      -1.953236      0.188288      5.882974
  H      -0.258940      2.691594      5.466118
  H      -0.199589      1.579278      6.852151
  H      -1.049654      6.139846      6.018531
  H      -0.665790      4.721612      5.049418
  H      -1.897900      4.735000      7.852026
  H      -0.251642      4.170689      7.468735
  H      -4.307458      2.189542      9.032931
  H      -3.725325      3.840793      8.777274
  H      -2.529434      1.208260      7.778572
  H      -1.744929      2.389965      8.858982
  C      -3.227857      0.889075      3.461135
  C      -3.888443     -0.440937      3.905780
  C      -5.342317     -0.624700      3.373486
  C      -5.566075     -0.195897      1.949688
  N      -6.033415      1.051780      1.753589
  C      -6.236934      1.469299      0.470789
  N      -6.027445      0.800974     -0.641499
  C      -5.535201     -0.470111     -0.472200
  C      -5.268417     -1.240927     -1.612352
  C      -4.743439     -2.521800     -1.465577
  C      -4.476109     -3.074276     -0.176679
  C      -4.741265     -2.344150      0.958705
  C      -5.276098     -1.029450      0.840126
  C      -3.501734      6.255749      5.627812
  C      -3.343267      7.394630      4.617384
  C      -4.135345      7.137081      3.336504
  C      -5.635222      7.097852      3.550849
  N      -6.124740      7.679614      4.662936
  C      -7.471155      7.604702      4.870235
  N      -8.388698      6.992590      4.115750
  C      -7.917014      6.403387      2.956935
  C      -8.832456      5.734058      2.092144
  C      -8.386102      5.152012      0.910178
  C      -7.009223      5.217981      0.557374
  C      -6.086572      5.853328      1.390259
  C      -6.513897      6.453015      2.610145
  C      -6.026669      2.930550      7.176626
  C      -6.619990      4.335995      7.110480
  C      -8.140798      4.390194      7.120712
  C      -8.841506      3.855826      5.902013
  N      -8.113287      3.414936      4.886202
  C      -8.770059      2.926462      3.814691
  N     -10.076714      2.815299      3.647530
  C     -10.854557      3.280830      4.661327
  C     -12.266078      3.227483      4.540976
  C     -13.072666      3.697442      5.548343
  C     -12.499070      4.233238      6.703193
  C     -11.119382      4.297917      6.847192
  C     -10.269641      3.824752      5.834652
  H      -2.461350      0.694414      2.680894
  H      -3.985650      1.512251      2.972603
  H      -3.962414     -0.440394      5.005659
  H      -3.258654     -1.304169      3.630184
  H      -5.642591     -1.680944      3.511272
  H      -6.020887     -0.011300      3.988129
  H      -6.620577      2.484149      0.357323
  H      -5.480293     -0.795193     -2.600112
  H      -4.533545     -3.109029     -2.350544
  H      -4.059088     -4.083481     -0.077801
  H      -4.532570     -2.776591      1.953279
  H      -4.567632      6.001379      5.701511
  H      -3.214306      6.619021      6.632615
  H      -2.278010      7.516511      4.369101
  H      -3.686828      8.329370      5.079113
  H      -3.909490      7.908253      2.579525
  H      -3.797239      6.188299      2.891384
  H      -7.836142      8.101388      5.786144
  H      -9.888672      5.689837      2.390555
  H      -9.098755      4.632227      0.250855
  H      -6.664312      4.767385     -0.372021
  H      -5.030413      5.900577      1.100945
  H      -6.320724      2.453218      8.126900
  H      -6.467999      2.330427      6.371429
  H      -6.236103      4.923839      7.952421
  H      -6.255237      4.821510      6.201304
  H      -8.523155      3.865926      8.002070
  H      -8.457859      5.430112      7.246830
  H      -8.134433      2.579657      3.006838
  H     -12.686870      2.810371      3.637057
  H     -14.162969      3.655081      5.447849
  H     -13.145621      4.602651      7.487683
  H     -10.686092      4.721290      7.741506
  N      -5.293482      3.497250      3.965273
  H      -6.194879      3.635335      4.426028
  H      -5.476159      2.705023      3.309440
  H      -5.165495      4.287390      3.370035
99
Coordinates from ORCA-job orca E -6204.935809698229
  N      -2.658966      1.651331      4.553621
  Mo     -3.571138      3.205347      5.408931
  N      -4.563790      2.876923      7.075456
  C      -3.797524      2.831893      8.320812
  C      -2.409995      2.278233      8.020764
  N      -1.856516      2.927463      6.799311
  C      -0.853248      2.055147      6.122271
  C      -1.564624      1.007865      5.274209
  C      -1.296326      4.279934      7.078824
  C      -1.398999      5.104497      5.796063
  N      -2.777594      5.038660      5.297143
  H      -0.829364      0.558379      4.555952
  H      -1.924141      0.169998      5.910424
  H      -0.252758      2.698810      5.460525
  H      -0.176130      1.601213      6.871796
  H      -1.097515      6.146506      6.001574
  H      -0.691827      4.717425      5.033316
  H      -1.925631      4.748323      7.855544
  H      -0.264397      4.193433      7.468358
  H      -4.284763      2.173583      9.062363
  H      -3.721847      3.832357      8.794911
  H      -2.493086      1.204561      7.796425
  H      -1.716241      2.406618      8.875846
  C      -3.231750      0.858028      3.476490
  C      -3.902768     -0.465088      3.922724
  C      -5.352980     -0.618363      3.398827
  C      -5.569467     -0.170127      1.977215
  N      -6.003761      1.095519      1.814896
  C      -6.190367      1.537472      0.541494
  N      -5.984816      0.874956     -0.590295
  C      -5.521445     -0.413906     -0.457861
  C      -5.246981     -1.183599     -1.627903
  C      -4.749259     -2.487664     -1.524885
  C      -4.518290     -3.062536     -0.249144
  C      -4.787676     -2.334829      0.914820
  C      -5.292085     -0.999067      0.839897
  C      -3.569646      6.243113      5.604715
  C      -3.438617      7.390889      4.591390
  C      -4.216870      7.130534      3.316537
  C      -5.703850      7.064308      3.500732
  N      -6.226220      7.612030      4.584200
  C      -7.549125      7.507713      4.755304
  N      -8.412611      6.899629      3.994258
  C      -7.907910      6.347923      2.866565
  C      -8.771520      5.683165      1.994767
  C      -8.294497      5.127824      0.822823
  C      -6.939889      5.221641      0.496188
  C      -6.067150      5.853298      1.341391
  C      -6.527286      6.425702      2.550866
  C      -6.014868      2.892221      7.232551
  C      -6.590415      4.314663      7.183037
  C      -8.121135      4.390529      7.210044
  C      -8.823642      3.879546      5.977850
  N      -8.092768      3.448445      4.958871
  C      -8.737533      2.977238      3.860217
  N     -10.036281      2.868551      3.667857
  C     -10.816718      3.327347      4.689303
  C     -12.217469      3.279956      4.545754
  C     -13.029652      3.750127      5.558043
  C     -12.471833      4.281054      6.744001
  C     -11.099451      4.336249      6.910945
  C     -10.245598      3.861915      5.892755
  H      -2.477284      0.659312      2.693974
  H      -3.990021      1.474561      2.989378
  H      -3.967879     -0.467900      5.022502
  H      -3.289557     -1.334092      3.636141
  H      -5.671714     -1.663953      3.526295
  H      -6.010215      0.005213      4.026524
  H      -6.548979      2.563670      0.458436
  H      -5.429512     -0.721767     -2.601047
  H      -4.532696     -3.073418     -2.434554
  H      -4.124461     -4.087846     -0.184000
  H      -4.604318     -2.783367      1.896502
  H      -4.631027      5.970035      5.678503
  H      -3.288968      6.622131      6.609493
  H      -2.380807      7.533931      4.347572
  H      -3.799927      8.316617      5.050232
  H      -3.995400      7.913960      2.571183
  H      -3.858413      6.189627      2.866749
  H      -7.943636      7.986837      5.646018
  H      -9.817180      5.616216      2.275755
  H      -8.966037      4.611047      0.155901
  H      -6.569379      4.785894     -0.438086
  H      -5.021093      5.918551      1.072781
  H      -6.298344      2.411281      8.190378
  H      -6.468374      2.291587      6.428910
  H      -6.189175      4.894900      8.027543
  H      -6.223749      4.806476      6.267536
  H      -8.521204      3.854807      8.095585
  H      -8.423621      5.445101      7.352845
  H      -8.092371      2.641900      3.047152
  H     -12.625897      2.867428      3.616910
  H     -14.111368      3.714537      5.440211
  H     -13.124557      4.653268      7.532612
  H     -10.676034      4.755147      7.829978
  N      -5.308072      3.441655      3.963298
  H      -6.242247      3.566892      4.407474
  H      -5.472012      2.653915      3.325332
  H      -5.186895      4.263154      3.345431
99
Coordinates from ORCA-job orca E -6204.939819096967
  N      -2.648419      1.678219      4.529936
  Mo     -3.556552      3.226921      5.402210
  N      -4.559304      2.884519      7.058116
  C      -3.800322      2.826601      8.308413
  C      -2.415715      2.264436      8.009789
  N      -1.848849      2.919727      6.795590
  C      -0.851694      2.050723      6.111107
  C      -1.568362      1.021816      5.253780
  C      -1.273475      4.264649      7.086243
  C      -1.369966      5.107148      5.810725
  N      -2.752617      5.051556      5.317337
  H      -0.845295      0.583066      4.547698
  H      -1.937218      0.181959      5.873995
  H      -0.249472      2.699987      5.462138
  H      -0.177786      1.582189      6.850653
  H      -1.060987      6.144773      6.023851
  H      -0.667605      4.729076      5.047084
  H      -1.893601      4.728231      7.867965
  H      -0.241555      4.166854      7.472458
  H      -4.297266      2.166302      9.045336
  H      -3.718516      3.822627      8.789742
  H      -2.507523      1.192596      7.781655
  H      -1.728636      2.381447      8.866905
  C      -3.211267      0.885813      3.450087
  C      -3.911196     -0.418500      3.898410
  C      -5.359121     -0.539947      3.370853
  C      -5.537249     -0.116397      1.948365
  N      -5.932593      1.153773      1.754987
  C      -6.085868      1.556568      0.480316
  N      -5.884891      0.847960     -0.627825
  C      -5.467786     -0.445754     -0.458749
  C      -5.224300     -1.258189     -1.593712
  C      -4.793154     -2.553040     -1.444092
  C      -4.591677     -3.083393     -0.164453
  C      -4.828989     -2.316861      0.964021
  C      -5.274278     -0.985828      0.843813
  C      -3.525989      6.254443      5.630139
  C      -3.381935      7.393021      4.609844
  C      -4.174963      7.128955      3.323632
  C      -5.678404      7.075021      3.520533
  N      -6.192270      7.638192      4.623694
  C      -7.533359      7.545446      4.805229
  N      -8.422089      6.926912      4.037064
  C      -7.924968      6.357287      2.887499
  C      -8.807602      5.687482      2.005004
  C      -8.338468      5.143226      0.823946
  C      -6.974226      5.243860      0.491881
  C      -6.078582      5.870988      1.344303
  C      -6.529543      6.435027      2.562901
  C      -6.021458      2.900849      7.196631
  C      -6.613638      4.316731      7.145790
  C      -8.140272      4.373097      7.183561
  C      -8.845365      3.845911      5.958276
  N      -8.110994      3.401659      4.925311
  C      -8.760173      2.925238      3.825421
  N     -10.061547      2.827897      3.645255
  C     -10.845984      3.292449      4.681548
  C     -12.250141      3.246834      4.550737
  C     -13.065762      3.706580      5.576757
  C     -12.503787      4.227819      6.764603
  C     -11.131886      4.289956      6.918945
  C     -10.272701      3.823484      5.887643
  H      -2.429106      0.656429      2.696274
  H      -3.937307      1.517438      2.928999
  H      -3.976802     -0.416773      4.997220
  H      -3.320406     -1.300487      3.620443
  H      -5.708697     -1.571107      3.507360
  H      -6.007995      0.106025      3.979889
  H      -6.424724      2.600142      0.369008
  H      -5.388587     -0.827423     -2.575895
  H      -4.606497     -3.169148     -2.325019
  H      -4.247058     -4.103326     -0.060895
  H      -4.669413     -2.733709      1.950556
  H      -4.589412      5.990177      5.711189
  H      -3.235785      6.625197      6.630536
  H      -2.314165      7.522545      4.359075
  H      -3.732790      8.326564      5.074373
  H      -3.947503      7.901349      2.566608
  H      -3.827104      6.177884      2.879218
  H      -7.918128      8.031166      5.712209
  H      -9.858027      5.617627      2.284296
  H      -9.026314      4.628311      0.148253
  H      -6.612014      4.824208     -0.445113
  H      -5.025710      5.946148      1.071005
  H      -6.313148      2.420427      8.151249
  H      -6.465120      2.296082      6.393076
  H      -6.212693      4.904824      7.989295
  H      -6.261637      4.813939      6.229094
  H      -8.520544      3.837981      8.073651
  H      -8.457204      5.422826      7.325227
  H      -8.110730      2.579248      3.002469
  H     -12.663041      2.841397      3.622996
  H     -14.148547      3.665721      5.469150
  H     -13.158237      4.583939      7.561579
  H     -10.706699      4.699238      7.837655
  N      -5.305490      3.467938      3.960325
  H      -6.230900      3.603096      4.442523
  H      -5.482154      2.692613      3.299841
  H      -5.184145      4.293715      3.360510
99
Coordinates from ORCA-job orca E -6204.938014538282
  N      -2.613334      1.672033      4.530870
  Mo     -3.544099      3.207496      5.404495
  N      -4.567061      2.855389      7.050212
  C      -3.814994      2.802299      8.302556
  C      -2.422002      2.257772      8.017248
  N      -1.850355      2.922235      6.812262
  C      -0.838028      2.061831      6.139425
  C      -1.534517      1.021781      5.272877
  C      -1.295836      4.274217      7.110660
  C      -1.384758      5.105861      5.838673
  N      -2.752584      5.036363      5.326560
  H      -0.787472      0.582003      4.575338
  H      -1.907031      0.177000      5.898901
  H      -0.232004      2.712543      5.495148
  H      -0.171768      1.597803      6.887509
  H      -1.088316      6.146158      6.062512
  H      -0.672283      4.734896      5.087284
  H      -1.928339      4.732300      7.881637
  H      -0.266946      4.194058      7.505516
  H      -4.308837      2.137830      9.033577
  H      -3.747279      3.798357      8.786403
  H      -2.501960      1.186607      7.784922
  H      -1.747113      2.378738      8.882075
  C      -3.146813      0.880557      3.433676
  C      -3.861879     -0.417367      3.882756
  C      -5.323557     -0.536309      3.378602
  C      -5.552726     -0.119705      1.956438
  N      -5.971758      1.133377      1.750375
  C      -6.177607      1.535548      0.469780
  N      -6.011645      0.846125     -0.629832
  C      -5.563105     -0.433671     -0.448913
  C      -5.322794     -1.232668     -1.575203
  C      -4.816918     -2.526510     -1.415248
  C      -4.555627     -3.062042     -0.129972
  C      -4.801869     -2.302677      0.992328
  C      -5.306528     -0.976810      0.861159
  C      -3.531963      6.241412      5.626596
  C      -3.378845      7.372829      4.594138
  C      -4.162113      7.105696      3.310621
  C      -5.656105      7.069700      3.518147
  N      -6.145884      7.640634      4.627095
  C      -7.486706      7.567293      4.829130
  N      -8.400235      6.967602      4.071449
  C      -7.930535      6.391270      2.915848
  C      -8.844254      5.736453      2.045669
  C      -8.397137      5.169293      0.859943
  C      -7.022084      5.235719      0.510393
  C      -6.102480      5.854220      1.351731
  C      -6.530461      6.439305      2.574730
  C      -6.024008      2.874120      7.175022
  C      -6.604538      4.296634      7.112843
  C      -8.126990      4.370936      7.129270
  C      -8.827432      3.853944      5.903069
  N      -8.093621      3.425802      4.872415
  C      -8.748800      2.954585      3.786538
  N     -10.057298      2.839938      3.620586
  C     -10.841596      3.288568      4.652399
  C     -12.254502      3.226596      4.535172
  C     -13.070733      3.694647      5.560842
  C     -12.501800      4.235245      6.730371
  C     -11.119343      4.300746      6.871412
  C     -10.260223      3.828298      5.840795
  H      -2.343174      0.649964      2.695411
  H      -3.861265      1.521250      2.896515
  H      -3.916093     -0.420855      4.982755
  H      -3.280436     -1.302297      3.596303
  H      -5.667469     -1.565988      3.531330
  H      -5.955116      0.107358      3.997345
  H      -6.521183      2.555781      0.343652
  H      -5.528049     -0.798046     -2.561745
  H      -4.617700     -3.137466     -2.290246
  H      -4.150114     -4.082100     -0.020261
  H      -4.591926     -2.724712      1.984447
  H      -4.600503      5.984176      5.699237
  H      -3.249534      6.620046      6.633347
  H      -2.316040      7.497305      4.348194
  H      -3.731020      8.314219      5.042520
  H      -3.938198      7.872934      2.545621
  H      -3.819852      6.154343      2.875668
  H      -7.851622      8.059503      5.741523
  H      -9.897860      5.690176      2.341316
  H      -9.107030      4.662472      0.195299
  H      -6.678488      4.797761     -0.427708
  H      -5.043643      5.898874      1.066237
  H      -6.322790      2.390028      8.125422
  H      -6.465419      2.276036      6.361597
  H      -6.209029      4.883097      7.959169
  H      -6.234217      4.782446      6.196724
  H      -8.517694      3.842513      8.013373
  H      -8.433816      5.421863      7.262826
  H      -8.107447      2.633309      2.962542
  H     -12.672255      2.809666      3.619411
  H     -14.161904      3.648526      5.463608
  H     -13.157600      4.607087      7.528980
  H     -10.689396      4.725479      7.777913
  N      -5.285072      3.459091      3.984706
  H      -6.240500      3.556362      4.456256
  H      -5.428905      2.674672      3.312525
  H      -5.181258      4.322441      3.378476
99
Coordinates from ORCA-job orca E -6204.938433915927
  N      -2.605007      1.681344      4.551216
  Mo     -3.543533      3.217239      5.402885
  N      -4.553410      2.874172      7.054144
  C      -3.803692      2.834352      8.308333
  C      -2.410139      2.292443      8.029708
  N      -1.845164      2.943816      6.817227
  C      -0.833285      2.073818      6.155201
  C      -1.531193      1.031405      5.295755
  C      -1.293442      4.296892      7.104833
  C      -1.385099      5.123762      5.826768
  N      -2.755384      5.051066      5.317771
  H      -0.783276      0.579785      4.598254
  H      -1.910162      0.193977      5.926243
  H      -0.222556      2.717836      5.508251
  H      -0.170906      1.617299      6.911981
  H      -1.092664      6.166936      6.037509
  H      -0.672318      4.745902      5.073330
  H      -1.933326      4.757715      7.872653
  H      -0.266879      4.212470      7.506518
  H      -4.296334      2.170108      9.039733
  H      -3.744529      3.833369      8.785222
  H      -2.483814      1.219374      7.805728
  H      -1.729907      2.424824      8.889627
  C      -3.135065      0.880192      3.456728
  C      -3.883706     -0.397890      3.909771
  C      -5.346626     -0.486553      3.406064
  C      -5.571606     -0.072497      1.978642
  N      -5.948086      1.195787      1.773452
  C      -6.143258      1.598986      0.491796
  N      -5.998001      0.895908     -0.612560
  C      -5.590467     -0.396607     -0.436229
  C      -5.375988     -1.209292     -1.571676
  C      -4.929660     -2.518247     -1.423866
  C      -4.697429     -3.054709     -0.135653
  C      -4.909898     -2.284462      0.996068
  C      -5.357096     -0.943193      0.875481
  C      -3.541098      6.253734      5.616175
  C      -3.390277      7.388753      4.597806
  C      -4.168802      7.111926      3.322015
  C      -5.657833      7.059820      3.516138
  N      -6.163101      7.607590      4.615517
  C      -7.497224      7.515172      4.798913
  N      -8.385181      6.916783      4.032796
  C      -7.897411      6.364936      2.888356
  C      -8.788493      5.714139      2.010282
  C      -8.325815      5.165010      0.825668
  C      -6.955944      5.248335      0.490536
  C      -6.056759      5.862512      1.343347
  C      -6.504799      6.430784      2.563008
  C      -6.007269      2.881897      7.188860
  C      -6.604581      4.290652      7.127116
  C      -8.127827      4.339998      7.139324
  C      -8.824272      3.826044      5.906928
  N      -8.093817      3.427536      4.878003
  C      -8.740571      2.970089      3.780431
  N     -10.039631      2.844108      3.600639
  C     -10.820571      3.261826      4.635850
  C     -12.226403      3.191278      4.508772
  C     -13.039994      3.625142      5.537291
  C     -12.480233      4.141051      6.720307
  C     -11.103515      4.217318      6.869842
  C     -10.248264      3.781057      5.835709
  H      -2.328513      0.621281      2.743072
  H      -3.823355      1.516200      2.888108
  H      -3.934864     -0.393871      5.010460
  H      -3.321443     -1.297858      3.623653
  H      -5.710383     -1.512249      3.565669
  H      -5.963621      0.177022      4.024060
  H      -6.448757      2.627725      0.375457
  H      -5.557675     -0.776307     -2.557259
  H      -4.756032     -3.137741     -2.308085
  H      -4.345532     -4.083997     -0.035622
  H      -4.725881     -2.704177      1.988884
  H      -4.606461      5.990395      5.683354
  H      -3.263495      6.627425      6.622488
  H      -2.326660      7.514919      4.358198
  H      -3.744051      8.328212      5.046520
  H      -3.943522      7.875784      2.557060
  H      -3.818917      6.158636      2.892768
  H      -7.877139      7.990135      5.699757
  H      -9.841008      5.654556      2.297286
  H      -9.018370      4.660871      0.152594
  H      -6.596870      4.824905     -0.449076
  H      -5.002017      5.918943      1.070242
  H      -6.298183      2.397840      8.141066
  H      -6.440430      2.276886      6.378656
  H      -6.222386      4.879736      7.973288
  H      -6.241421      4.781822      6.213506
  H      -8.514707      3.800961      8.014838
  H      -8.446684      5.380523      7.282604
  H      -8.099191      2.663158      2.957910
  H     -12.637084      2.792305      3.582320
  H     -14.126678      3.572196      5.431192
  H     -13.133684      4.488459      7.523429
  H     -10.679295      4.625058      7.786846
  N      -5.271511      3.419849      3.956786
  H      -6.171944      3.523731      4.416279
  H      -5.439281      2.646361      3.275771
  H      -5.163401      4.217706      3.398509
99
Coordinates from ORCA-job orca E -6204.938186403620
  N      -2.607352      1.678089      4.548958
  Mo     -3.553120      3.200464      5.419259
  N      -4.552306      2.847214      7.070448
  C      -3.795463      2.803710      8.324799
  C      -2.401751      2.264471      8.030902
  N      -1.845078      2.929764      6.816171
  C      -0.832827      2.077393      6.133844
  C      -1.533075      1.042930      5.272972
  C      -1.297080      4.285761      7.106409
  C      -1.404339      5.122263      5.826757
  N      -2.783090      5.039047      5.329291
  H      -0.816804      0.614135      4.575709
  H      -1.887172      0.213753      5.879947
  H      -0.243195      2.737738      5.491257
  H      -0.155828      1.618742      6.870405
  H      -1.115133      6.164066      6.040656
  H      -0.690070      4.757443      5.068018
  H      -1.927334      4.739120      7.882190
  H      -0.267445      4.212250      7.493767
  H      -4.280925      2.137531      9.062825
  H      -3.730535      3.800499      8.803281
  H      -2.475429      1.193323      7.802713
  H      -1.720278      2.393531      8.888351
  C      -3.140934      0.866385      3.459003
  C      -3.870715     -0.434925      3.912148
  C      -5.340557     -0.530682      3.417072
  C      -5.530874     -0.090414      1.992409
  N      -5.910085      1.201473      1.818240
  C      -6.077261      1.630598      0.543728
  N      -5.901157      0.927021     -0.584756
  C      -5.495650     -0.388268     -0.438808
  C      -5.280459     -1.193080     -1.598140
  C      -4.876476     -2.507106     -1.476273
  C      -4.669001     -3.064745     -0.196574
  C      -4.872610     -2.307201      0.956900
  C      -5.293669     -0.956213      0.863848
  C      -3.569054      6.239338      5.619928
  C      -3.423786      7.369303      4.592595
  C      -4.206733      7.088804      3.313766
  C      -5.710616      7.037319      3.495747
  N      -6.240729      7.593492      4.596031
  C      -7.579910      7.500209      4.759191
  N      -8.451882      6.892083      3.977165
  C      -7.936664      6.330977      2.830646
  C      -8.797779      5.670808      1.933684
  C      -8.310518      5.133019      0.751672
  C      -6.951162      5.236427      0.434293
  C      -6.074951      5.851610      1.302767
  C      -6.543127      6.406856      2.523360
  C      -6.013952      2.865377      7.209196
  C      -6.590598      4.282327      7.161381
  C      -8.120028      4.357638      7.199339
  C      -8.827619      3.840408      5.972618
  N      -8.096401      3.393077      4.946346
  C      -8.746171      2.935553      3.842957
  N     -10.049963      2.853782      3.656620
  C     -10.829773      3.314124      4.688319
  C     -12.234958      3.281421      4.553172
  C     -13.043707      3.738523      5.572077
  C     -12.479162      4.245705      6.757832
  C     -11.106363      4.295315      6.917586
  C     -10.253746      3.831275      5.893469
  H      -2.329189      0.611242      2.749448
  H      -3.847266      1.491420      2.886072
  H      -3.912747     -0.440810      5.012452
  H      -3.296666     -1.332566      3.610069
  H      -5.703723     -1.569663      3.564019
  H      -5.978357      0.130769      4.045324
  H      -6.405348      2.690336      0.451892
  H      -5.448167     -0.743227     -2.578150
  H      -4.717481     -3.115388     -2.375746
  H      -4.351244     -4.097405     -0.115575
  H      -4.713873     -2.742524      1.943056
  H      -4.625976      5.966963      5.700310
  H      -3.287851      6.631206      6.611955
  H      -2.354604      7.498891      4.343830
  H      -3.774475      8.306100      5.043016
  H      -3.966783      7.850570      2.552517
  H      -3.858474      6.131967      2.883530
  H      -7.982894      7.984867      5.661088
  H      -9.847330      5.601624      2.202842
  H      -8.981395      4.624878      0.062619
  H      -6.576472      4.825108     -0.504455
  H      -5.027318      5.922823      1.042777
  H      -6.311299      2.382880      8.157845
  H      -6.459761      2.269589      6.404097
  H      -6.183119      4.861949      7.999038
  H      -6.229694      4.768165      6.245720
  H      -8.517327      3.830067      8.089899
  H      -8.422160      5.413191      7.334638
  H      -8.099735      2.589900      3.022385
  H     -12.649729      2.886076      3.626042
  H     -14.127033      3.708588      5.460655
  H     -13.129268      4.601638      7.548563
  H     -10.678218      4.695056      7.834838
  N      -5.287260      3.429419      3.963496
  H      -6.225090      3.524491      4.395124
  H      -5.424908      2.659970      3.293564
  H      -5.186374      4.293208      3.380849
99
Coordinates from ORCA-job orca E -6204.938938743436
  N      -2.597089      1.683088      4.523474
  Mo     -3.533762      3.215773      5.401932
  N      -4.551562      2.857175      7.053528
  C      -3.804175      2.805826      8.307628
  C      -2.408793      2.261922      8.023292
  N      -1.835414      2.923207      6.817446
  C      -0.820358      2.059544      6.149369
  C      -1.516866      1.022889      5.279446
  C      -1.278638      4.272839      7.117776
  C      -1.368796      5.112691      5.842531
  N      -2.745462      5.047541      5.334242
  H      -0.762403      0.574252      4.578843
  H      -1.905033      0.172266      5.915917
  H      -0.204212      2.709697      5.504680
  H      -0.156999      1.593383      6.907702
  H      -1.072583      6.155332      6.062468
  H      -0.654675      4.738548      5.083989
  H      -1.916730      4.730301      7.893929
  H      -0.246238      4.182907      7.517452
  H      -4.302055      2.136909      9.037431
  H      -3.741695      3.803196      8.793310
  H      -2.485021      1.187841      7.790151
  H      -1.730738      2.385232      8.890063
  C      -3.125889      0.897329      3.426113
  C      -3.890866     -0.365177      3.873529
  C      -5.349647     -0.417724      3.379037
  C      -5.545532     -0.022050      1.953256
  N      -5.896574      1.252834      1.726509
  C      -6.064262      1.627392      0.445609
  N      -5.915794      0.884099     -0.638793
  C      -5.539865     -0.416880     -0.435145
  C      -5.339314     -1.266531     -1.541836
  C      -4.932099     -2.571958     -1.356574
  C      -4.721506     -3.075366     -0.069746
  C      -4.924323     -2.269527      1.032302
  C      -5.336953     -0.927590      0.876396
  C      -3.530586      6.247476      5.634280
  C      -3.384155      7.378550      4.601714
  C      -4.169739      7.106272      3.309459
  C      -5.672303      7.054604      3.505279
  N      -6.178409      7.602901      4.615482
  C      -7.518776      7.512223      4.799222
  N      -8.415141      6.910059      4.023870
  C      -7.929013      6.358723      2.865916
  C      -8.822598      5.710291      1.974032
  C      -8.360101      5.186056      0.788378
  C      -6.991757      5.282672      0.460026
  C      -6.087353      5.886889      1.320771
  C      -6.532056      6.432865      2.543785
  C      -6.010994      2.865352      7.184449
  C      -6.603991      4.281927      7.132862
  C      -8.130799      4.340088      7.156823
  C      -8.829137      3.827007      5.923928
  N      -8.090050      3.412181      4.882772
  C      -8.737131      2.946618      3.777676
  N     -10.039182      2.830787      3.600533
  C     -10.828573      3.262502      4.645116
  C     -12.233789      3.192083      4.517085
  C     -13.054257      3.622957      5.550940
  C     -12.495395      4.139936      6.743032
  C     -11.122734      4.223359      6.895240
  C     -10.258455      3.786427      5.856130
  H      -2.310900      0.626058      2.723246
  H      -3.791436      1.545126      2.859264
  H      -3.928878     -0.372143      4.973326
  H      -3.358057     -1.271312      3.578720
  H      -5.743099     -1.421127      3.541166
  H      -5.947951      0.261180      3.989088
  H      -6.366631      2.677121      0.303426
  H      -5.507160     -0.855479     -2.532119
  H      -4.771898     -3.217934     -2.215560
  H      -4.392976     -4.106001      0.061594
  H      -4.756942     -2.668326      2.025830
  H      -4.598083      5.981083      5.703756
  H      -3.252142      6.624222      6.640622
  H      -2.318377      7.510131      4.358863
  H      -3.743487      8.311705      5.053898
  H      -3.947043      7.873337      2.545015
  H      -3.817289      6.154782      2.872986
  H      -7.895356      7.988803      5.713820
  H      -9.873661      5.639813      2.251779
  H      -9.054186      4.688648      0.106463
  H      -6.636136      4.877236     -0.482756
  H      -5.027973      5.954772      1.052293
  H      -6.302761      2.378186      8.135298
  H      -6.450739      2.263061      6.372620
  H      -6.208038      4.868352      7.981306
  H      -6.247858      4.779733      6.218917
  H      -8.516468      3.798873      8.039321
  H      -8.447969      5.388829      7.304188
  H      -8.085526      2.631001      2.948220
  H     -12.643603      2.790901      3.585635
  H     -14.137682      3.564064      5.445932
  H     -13.153007      4.474529      7.544980
  H     -10.701550      4.628506      7.818250
  N      -5.272096      3.451918      3.978013
  H      -6.223782      3.556940      4.485059
  H      -5.428429      2.698198      3.287193
  H      -5.175480      4.315418      3.383413
99
Coordinates from ORCA-job orca E -6204.939485533891
  N      -2.581258      1.684490      4.546726
  Mo     -3.529308      3.209787      5.416518
  N      -4.555110      2.847298      7.057490
  C      -3.809985      2.811439      8.320145
  C      -2.410552      2.278706      8.047518
  N      -1.839705      2.939433      6.837705
  C      -0.823208      2.077129      6.172591
  C      -1.515174      1.040053      5.302413
  C      -1.290193      4.296552      7.128857
  C      -1.380448      5.128358      5.853460
  N      -2.750881      5.049366      5.339015
  H      -0.767467      0.597472      4.620104
  H      -1.897371      0.205666      5.920935
  H      -0.217224      2.730528      5.536137
  H      -0.161832      1.615202      6.922226
  H      -1.091012      6.168920      6.070629
  H      -0.664555      4.760600      5.105423
  H      -1.928060      4.751088      7.896238
  H      -0.265458      4.217618      7.528855
  H      -4.302609      2.144785      9.049726
  H      -3.759002      3.810304      8.797388
  H      -2.480208      1.206303      7.821967
  H      -1.738468      2.410823      8.911370
  C      -3.098657      0.874029      3.448835
  C      -3.854119     -0.402907      3.896275
  C      -5.324025     -0.467483      3.415262
  C      -5.553200     -0.047993      1.991939
  N      -5.904473      1.216188      1.793093
  C      -6.106883      1.622597      0.514083
  N      -6.001682      0.929026     -0.594406
  C      -5.619751     -0.360017     -0.423985
  C      -5.442280     -1.163981     -1.563385
  C      -4.997158     -2.475002     -1.421202
  C      -4.733531     -3.020855     -0.136192
  C      -4.921205     -2.255751      1.000268
  C      -5.364882     -0.913399      0.885447
  C      -3.542231      6.252268      5.619799
  C      -3.387964      7.377173      4.583061
  C      -4.164882      7.088277      3.305536
  C      -5.659506      7.046110      3.498212
  N      -6.168410      7.603783      4.602299
  C      -7.508317      7.519808      4.787003
  N      -8.400450      6.920011      4.018246
  C      -7.910924      6.356967      2.869556
  C      -8.805462      5.701865      1.989051
  C      -8.341344      5.139302      0.798092
  C      -6.967057      5.217497      0.454074
  C      -6.064358      5.837393      1.311682
  C      -6.511646      6.415450      2.540402
  C      -6.018313      2.868358      7.185113
  C      -6.607884      4.287519      7.116981
  C      -8.129577      4.345408      7.136535
  C      -8.820218      3.815368      5.906039
  N      -8.081346      3.394323      4.876702
  C      -8.722836      2.926407      3.776910
  N     -10.021779      2.804556      3.598964
  C     -10.811342      3.238973      4.636031
  C     -12.216515      3.166286      4.510454
  C     -13.040365      3.625400      5.541376
  C     -12.488383      4.165084      6.724744
  C     -11.112641      4.239220      6.873121
  C     -10.246597      3.777405      5.836557
  H      -2.273579      0.600433      2.760259
  H      -3.776501      1.511965      2.857526
  H      -3.892357     -0.417808      4.996706
  H      -3.304345     -1.301109      3.586695
  H      -5.699636     -1.487236      3.575873
  H      -5.927859      0.201127      4.044280
  H      -6.382763      2.648176      0.399788
  H      -5.644059     -0.722441     -2.548822
  H      -4.842589     -3.090435     -2.309772
  H      -4.373399     -4.055135     -0.040260
  H      -4.711187     -2.684628      1.991345
  H      -4.604973      5.985863      5.686127
  H      -3.272665      6.634547      6.623601
  H      -2.323893      7.504197      4.338319
  H      -3.741274      8.323303      5.024469
  H      -3.927812      7.844872      2.531133
  H      -3.822508      6.127315      2.886202
  H      -7.889958      8.000459      5.690425
  H      -9.861375      5.649478      2.278030
  H      -9.038350      4.630197      0.123558
  H      -6.610615      4.783452     -0.494809
  H      -5.005456      5.888742      1.032802
  H      -6.320711      2.387443      8.138053
  H      -6.451464      2.264177      6.376601
  H      -6.221008      4.885990      7.959200
  H      -6.240460      4.772025      6.195754
  H      -8.518861      3.814058      8.024286
  H      -8.447260      5.396594      7.269471
  H      -8.076825      2.613906      2.953247
  H     -12.621767      2.750034      3.584564
  H     -14.125979      3.572300      5.436168
  H     -13.149855      4.532418      7.529149
  H     -10.695263      4.664250      7.789928
  N      -5.271064      3.433295      3.964223
  H      -6.204662      3.522292      4.411554
  H      -5.409944      2.651342      3.282449
  H      -5.169484      4.270172      3.404994
99
Coordinates from ORCA-job orca E -6204.939338893450
  N      -2.571938      1.700488      4.532250
  Mo     -3.534580      3.208478      5.413124
  N      -4.543238      2.834177      7.049251
  C      -3.798676      2.788820      8.303742
  C      -2.400095      2.264299      8.020043
  N      -1.840226      2.941183      6.820387
  C      -0.815854      2.101542      6.140873
  C      -1.498577      1.061469      5.267645
  C      -1.308184      4.295516      7.126357
  C      -1.413867      5.132750      5.858871
  N      -2.778259      5.046136      5.351949
  H      -0.758979      0.629400      4.568697
  H      -1.860827      0.216702      5.881035
  H      -0.220007      2.766177      5.501926
  H      -0.143002      1.643250      6.885882
  H      -1.134615      6.177064      6.087462
  H      -0.693651      4.776907      5.102968
  H      -1.946035      4.741159      7.899747
  H      -0.279753      4.228735      7.518191
  H      -4.282340      2.116408      9.031752
  H      -3.746989      3.783611      8.788026
  H      -2.462617      1.194442      7.782540
  H      -1.728147      2.392569      8.886393
  C      -3.088185      0.897748      3.438784
  C      -3.863571     -0.376860      3.892311
  C      -5.347285     -0.438184      3.413966
  C      -5.563650     -0.036850      1.979409
  N      -5.931243      1.250183      1.749708
  C      -6.115881      1.641679      0.460908
  N      -5.964493      0.904429     -0.626713
  C      -5.566327     -0.410167     -0.426191
  C      -5.361881     -1.257921     -1.544143
  C      -4.963770     -2.582077     -1.370650
  C      -4.763773     -3.100632     -0.075082
  C      -4.954057     -2.299188      1.039425
  C      -5.358039     -0.939924      0.893296
  C      -3.569527      6.240633      5.642694
  C      -3.421404      7.372757      4.622455
  C      -4.191630      7.093515      3.342110
  C      -5.683997      7.044203      3.523069
  N      -6.199906      7.585448      4.625200
  C      -7.536162      7.497636      4.794553
  N      -8.419050      6.908576      4.013496
  C      -7.919289      6.362007      2.866013
  C      -8.801639      5.721649      1.971306
  C      -8.328182      5.192109      0.783586
  C      -6.959579      5.286149      0.461650
  C      -6.067405      5.887345      1.330236
  C      -6.523836      6.431600      2.554260
  C      -5.995942      2.840456      7.168734
  C      -6.581884      4.255274      7.116366
  C      -8.106276      4.315943      7.132576
  C      -8.808931      3.808961      5.902467
  N      -8.082582      3.394766      4.878494
  C      -8.741105      2.953011      3.787499
  N     -10.049926      2.852717      3.608834
  C     -10.825171      3.280654      4.637387
  C     -12.237834      3.228469      4.514149
  C     -13.040544      3.660747      5.539063
  C     -12.464338      4.158938      6.714183
  C     -11.082422      4.222099      6.860444
  C     -10.237150      3.784439      5.830869
  H      -2.261846      0.619675      2.755945
  H      -3.752926      1.537756      2.847984
  H      -3.886685     -0.384161      4.993998
  H      -3.327924     -1.294214      3.580677
  H      -5.733460     -1.464140      3.590747
  H      -5.952481      0.249592      4.030791
  H      -6.432041      2.692958      0.322850
  H      -5.526041     -0.838299     -2.535205
  H      -4.810584     -3.227074     -2.239726
  H      -4.459229     -4.139644      0.044305
  H      -4.799484     -2.705139      2.038311
  H      -4.632339      5.970075      5.711823
  H      -3.294663      6.633702      6.643576
  H      -2.356052      7.503472      4.386509
  H      -3.780021      8.312724      5.068268
  H      -3.959041      7.854021      2.580104
  H      -3.836654      6.139380      2.915554
  H      -7.926479      7.969324      5.699768
  H      -9.856387      5.660280      2.247907
  H      -9.013492      4.698862      0.095558
  H      -6.595484      4.881969     -0.476692
  H      -5.015302      5.951913      1.067622
  H      -6.297605      2.346522      8.112805
  H      -6.429917      2.247750      6.347873
  H      -6.188801      4.834282      7.962693
  H      -6.214462      4.744270      6.205630
  H      -8.494720      3.777901      8.006690
  H      -8.418559      5.356566      7.276511
  H      -8.102805      2.628016      2.969164
  H     -12.660847      2.840950      3.593461
  H     -14.131256      3.618787      5.437413
  H     -13.110086      4.500953      7.513812
  H     -10.644435      4.615233      7.771741
  N      -5.239655      3.442994      3.961153
  H      -6.167896      3.523575      4.388139
  H      -5.366760      2.688573      3.254449
  H      -5.128300      4.289196      3.421082
99
Coordinates from ORCA-job orca E -6204.940736878270
  N      -2.573716      1.686538      4.551222
  Mo     -3.524708      3.210397      5.418944
  N      -4.546823      2.851431      7.066865
  C      -3.804054      2.821376      8.329166
  C      -2.402012      2.285494      8.059134
  N      -1.828593      2.937510      6.845078
  C      -0.810846      2.070210      6.185309
  C      -1.505217      1.034581      5.318150
  C      -1.276214      4.293350      7.134536
  C      -1.368071      5.130183      5.850932
  N      -2.747768      5.052724      5.340331
  H      -0.754898      0.581829      4.631372
  H      -1.894719      0.202761      5.948435
  H      -0.200307      2.722804      5.545380
  H      -0.148994      1.609900      6.941748
  H      -1.077740      6.174014      6.060504
  H      -0.649018      4.756799      5.095170
  H      -1.919508      4.749311      7.906494
  H      -0.246846      4.207826      7.538539
  H      -4.300729      2.153271      9.062420
  H      -3.755187      3.823062      8.803727
  H      -2.468026      1.210062      7.837059
  H      -1.727306      2.423651      8.923430
  C      -3.088082      0.878368      3.448240
  C      -3.868811     -0.382744      3.889040
  C      -5.333909     -0.394659      3.419521
  C      -5.526193      0.018200      1.993420
  N      -5.836136      1.315442      1.792038
  C      -6.003635      1.718157      0.513233
  N      -5.895466      0.980199     -0.598211
  C      -5.564778     -0.341079     -0.423168
  C      -5.420521     -1.182899     -1.559609
  C      -5.065856     -2.505343     -1.405953
  C      -4.842493     -3.036312     -0.118619
  C      -4.989955     -2.240074      1.012717
  C      -5.358496     -0.880511      0.887825
  C      -3.540281      6.255961      5.614999
  C      -3.393382      7.373342      4.568547
  C      -4.179337      7.077789      3.286232
  C      -5.684542      7.018568      3.476974
  N      -6.201490      7.562270      4.586308
  C      -7.540894      7.460153      4.760693
  N      -8.423232      6.851638      3.978302
  C      -7.921804      6.305477      2.820348
  C      -8.793210      5.657031      1.917818
  C      -8.321373      5.150725      0.730730
  C      -6.964004      5.264180      0.409422
  C      -6.076259      5.860279      1.280830
  C      -6.530971      6.391286      2.506504
  C      -6.007885      2.862644      7.198875
  C      -6.597716      4.267833      7.145662
  C      -8.126121      4.321519      7.172099
  C      -8.822313      3.804393      5.939330
  N      -8.079447      3.378633      4.907757
  C      -8.717246      2.907032      3.797496
  N     -10.017265      2.799455      3.609655
  C     -10.808976      3.239557      4.648413
  C     -12.211627      3.174172      4.511589
  C     -13.034365      3.608219      5.535556
  C     -12.484804      4.123719      6.729350
  C     -11.115072      4.204404      6.890896
  C     -10.248287      3.764606      5.860724
  H      -2.254928      0.583998      2.777079
  H      -3.747145      1.514265      2.841293
  H      -3.891504     -0.413967      4.989016
  H      -3.351890     -1.291118      3.559090
  H      -5.748272     -1.392765      3.585967
  H      -5.911853      0.299218      4.043957
  H      -6.267830      2.785521      0.398046
  H      -5.595368     -0.753102     -2.547970
  H      -4.953519     -3.141685     -2.287581
  H      -4.553375     -4.077934     -0.011497
  H      -4.816445     -2.658096      2.005035
  H      -4.601062      5.981328      5.684372
  H      -3.272975      6.647310      6.612544
  H      -2.325006      7.506984      4.318929
  H      -3.750980      8.309521      5.009634
  H      -3.948124      7.832720      2.512749
  H      -3.828340      6.119515      2.862403
  H      -7.929885      7.935504      5.673422
  H      -9.838524      5.577184      2.186780
  H      -9.001677      4.656908      0.039526
  H      -6.603658      4.879517     -0.536886
  H      -5.026796      5.940623      1.018963
  H      -6.300293      2.382210      8.146285
  H      -6.444436      2.258378      6.394502
  H      -6.201625      4.852308      7.986198
  H      -6.244792      4.761154      6.237035
  H      -8.516851      3.783858      8.054239
  H      -8.444356      5.367710      7.315145
  H      -8.058710      2.580603      2.973307
  H     -12.614485      2.772803      3.579432
  H     -14.115189      3.552488      5.422589
  H     -13.144062      4.459218      7.523985
  H     -10.700839      4.609195      7.814705
  N      -5.275585      3.430019      3.985450
  H      -6.214803      3.516115      4.459518
  H      -5.422226      2.672690      3.303006
  H      -5.198099      4.291309      3.399327
99
Coordinates from ORCA-job orca E -6204.940488219409
  N      -2.560492      1.695890      4.518027
  Mo     -3.526312      3.202693      5.415103
  N      -4.544563      2.815425      7.053617
  C      -3.798526      2.769961      8.310659
  C      -2.398604      2.245979      8.026094
  N      -1.831820      2.928924      6.828773
  C      -0.809215      2.092449      6.142402
  C      -1.491366      1.059865      5.256691
  C      -1.294617      4.284438      7.141294
  C      -1.399491      5.130468      5.878971
  N      -2.768996      5.042003      5.370349
  H      -0.756331      0.645248      4.567399
  H      -1.855598      0.210718      5.853327
  H      -0.212557      2.762362      5.510676
  H      -0.136277      1.623226      6.881866
  H      -1.119530      6.173012      6.114278
  H      -0.679017      4.779939      5.124559
  H      -1.929021      4.725411      7.919240
  H      -0.263952      4.214360      7.530472
  H      -4.284949      2.096947      9.039468
  H      -3.746595      3.766943      8.795736
  H      -2.463122      1.174093      7.786769
  H      -1.729186      2.370163      8.896220
  C      -3.066565      0.901299      3.414332
  C      -3.855975     -0.357848      3.863146
  C      -5.339421     -0.380036      3.414750
  C      -5.566051      0.005897      1.986598
  N      -5.898108      1.279647      1.753705
  C      -6.090728      1.647882      0.471523
  N      -5.981422      0.900437     -0.608371
  C      -5.620707     -0.402502     -0.401097
  C      -5.449559     -1.259659     -1.507691
  C      -5.048363     -2.573481     -1.322740
  C      -4.821475     -3.074541     -0.034306
  C      -4.996065     -2.260117      1.068783
  C      -5.395548     -0.910281      0.913012
  C      -3.559748      6.241009      5.649694
  C      -3.406819      7.366231      4.614257
  C      -4.174812      7.086201      3.323781
  C      -5.673795      7.047572      3.505655
  N      -6.190667      7.594265      4.613150
  C      -7.533102      7.518736      4.785151
  N      -8.423896      6.938052      4.000933
  C      -7.928199      6.388105      2.848060
  C      -8.820193      5.754958      1.949512
  C      -8.341353      5.208121      0.759913
  C      -6.960424      5.276799      0.438016
  C      -6.060938      5.874567      1.309757
  C      -6.522055      6.438572      2.535120
  C      -6.009446      2.835768      7.181608
  C      -6.597437      4.270910      7.130118
  C      -8.126638      4.341791      7.149401
  C      -8.810491      3.827843      5.906028
  N      -8.063207      3.431518      4.865266
  C      -8.694524      2.973371      3.748810
  N      -9.987710      2.834280      3.561183
  C     -10.786938      3.240183      4.606766
  C     -12.184702      3.142750      4.471115
  C     -13.015800      3.561222      5.508215
  C     -12.475687      4.090242      6.709151
  C     -11.108799      4.194751      6.869040
  C     -10.234034      3.771077      5.827825
  H      -2.227686      0.611578      2.747741
  H      -3.704859      1.554906      2.811291
  H      -3.859859     -0.389398      4.962865
  H      -3.349506     -1.271721      3.531017
  H      -5.749924     -1.380191      3.600557
  H      -5.912438      0.320021      4.036814
  H      -6.367051      2.693376      0.326214
  H      -5.629212     -0.850431     -2.498394
  H      -4.906033     -3.228500     -2.182594
  H      -4.499794     -4.112138      0.095316
  H      -4.813773     -2.657704      2.062857
  H      -4.624264      5.973492      5.715634
  H      -3.288915      6.633875      6.652436
  H      -2.343612      7.498556      4.380900
  H      -3.770354      8.304707      5.054867
  H      -3.941196      7.845798      2.556769
  H      -3.823201      6.131864      2.900793
  H      -7.917077      7.986937      5.696167
  H      -9.880931      5.704277      2.224046
  H      -9.031754      4.714422      0.070711
  H      -6.591946      4.847186     -0.508627
  H      -4.992609      5.915416      1.047839
  H      -6.315053      2.343498      8.134132
  H      -6.447744      2.239029      6.363020
  H      -6.203803      4.860124      7.983509
  H      -6.225386      4.768566      6.207626
  H      -8.523486      3.796364      8.036627
  H      -8.441968      5.402084      7.294491
  H      -8.040386      2.690236      2.917998
  H     -12.580861      2.735102      3.531836
  H     -14.095376      3.484563      5.397347
  H     -13.142990      4.418761      7.514558
  H     -10.701162      4.607750      7.799418
  N      -5.233852      3.444800      3.986327
  H      -6.187244      3.526678      4.467272
  H      -5.365457      2.705133      3.261842
  H      -5.130741      4.307088      3.436739
99
Coordinates from ORCA-job orca E -6204.940573833198
  N      -2.535825      1.708110      4.539393
  Mo     -3.505476      3.216587      5.414497
  N      -4.538563      2.829577      7.041764
  C      -3.807522      2.794635      8.307378
  C      -2.401562      2.277671      8.045673
  N      -1.826139      2.950497      6.849483
  C      -0.795129      2.101946      6.190925
  C      -1.468655      1.059552      5.315091
  C      -1.296275      4.307028      7.156799
  C      -1.387606      5.145550      5.886007
  N      -2.750786      5.059715      5.363442
  H      -0.696638      0.603081      4.631779
  H      -1.860259      0.218652      5.948669
  H      -0.182633      2.760524      5.558420
  H      -0.138133      1.643464      6.951291
  H      -1.113495      6.188679      6.116461
  H      -0.658810      4.791556      5.137268
  H      -1.946758      4.751709      7.925219
  H      -0.270624      4.236779      7.563131
  H      -4.299437      2.120908      9.029791
  H      -3.770450      3.790854      8.789719
  H      -2.457394      1.207124      7.810359
  H      -1.740769      2.411010      8.919723
  C      -3.033074      0.893872      3.439170
  C      -3.837972     -0.362388      3.879263
  C      -5.326344     -0.371281      3.425675
  C      -5.556854      0.024895      1.991472
  N      -5.866685      1.303498      1.752162
  C      -6.055408      1.684932      0.462506
  N      -5.970701      0.950487     -0.619502
  C      -5.632712     -0.355641     -0.409436
  C      -5.487336     -1.202971     -1.520116
  C      -5.115345     -2.529767     -1.339959
  C      -4.894586     -3.046620     -0.043001
  C      -5.040498     -2.240522      1.066151
  C      -5.408526     -0.881710      0.912685
  C      -3.552567      6.254222      5.638628
  C      -3.402646      7.379545      4.606807
  C      -4.175108      7.088107      3.326080
  C      -5.669520      7.039297      3.509216
  N      -6.183197      7.574989      4.618952
  C      -7.520285      7.480245      4.794909
  N      -8.406280      6.888412      4.012007
  C      -7.912465      6.348765      2.858232
  C      -8.803529      5.702837      1.964686
  C      -8.337765      5.168449      0.765084
  C      -6.965486      5.269468      0.427388
  C      -6.065413      5.879193      1.298676
  C      -6.515134      6.424774      2.536537
  C      -5.994471      2.829606      7.149991
  C      -6.590208      4.238296      7.084253
  C      -8.110546      4.285235      7.099628
  C      -8.805814      3.759732      5.873822
  N      -8.072584      3.337240      4.850501
  C      -8.726772      2.883478      3.759908
  N     -10.035512      2.777921      3.586127
  C     -10.819060      3.211893      4.618852
  C     -12.236007      3.154664      4.502366
  C     -13.050544      3.605258      5.533044
  C     -12.479544      4.122008      6.705965
  C     -11.093797      4.184997      6.844544
  C     -10.237512      3.731132      5.808755
  H      -2.187939      0.586934      2.795003
  H      -3.670673      1.536451      2.817191
  H      -3.846858     -0.396546      4.980397
  H      -3.332599     -1.281429      3.538757
  H      -5.740183     -1.381671      3.613433
  H      -5.898541      0.334203      4.051103
  H      -6.303936      2.724241      0.316706
  H      -5.662432     -0.782597     -2.514345
  H      -4.994082     -3.178698     -2.206729
  H      -4.603705     -4.090717      0.082651
  H      -4.867868     -2.647125      2.066718
  H      -4.614784      5.981433      5.701434
  H      -3.287373      6.644116      6.642214
  H      -2.335757      7.508887      4.369344
  H      -3.761768      8.326328      5.048912
  H      -3.938308      7.842280      2.551744
  H      -3.824129      6.125459      2.907968
  H      -7.907947      7.945590      5.703205
  H      -9.859438      5.637788      2.250876
  H      -9.031825      4.668862      0.079216
  H      -6.608589      4.860551     -0.524942
  H      -5.009361      5.947403      1.026307
  H      -6.298697      2.338719      8.094676
  H      -6.416785      2.229221      6.330976
  H      -6.206095      4.832123      7.925563
  H      -6.225461      4.721693      6.167592
  H      -8.494255      3.751420      7.978229
  H      -8.432385      5.326259      7.236005
  H      -8.084833      2.556665      2.942656
  H     -12.655225      2.754564      3.584321
  H     -14.144679      3.562207      5.435722
  H     -13.133833      4.481243      7.511360
  H     -10.661091      4.593182      7.753895
  N      -5.218552      3.462072      3.942608
  H      -6.153343      3.538022      4.342414
  H      -5.329425      2.703555      3.234294
  H      -5.103541      4.327771      3.417337
99
Coordinates from ORCA-job orca E -6204.941901956652
  N      -2.549743      1.695605      4.556666
  Mo     -3.519321      3.201229      5.428346
  N      -4.544527      2.825231      7.065342
  C      -3.804285      2.794787      8.328202
  C      -2.398120      2.272010      8.059188
  N      -1.825549      2.942823      6.856365
  C      -0.798235      2.096887      6.186886
  C      -1.478631      1.060061      5.307511
  C      -1.291520      4.301775      7.156045
  C      -1.392852      5.143019      5.880411
  N      -2.765595      5.050338      5.368628
  H      -0.732584      0.631289      4.617300
  H      -1.848381      0.218586      5.917245
  H      -0.198611      2.762917      5.554706
  H      -0.131771      1.637681      6.935324
  H      -1.116698      6.188144      6.103153
  H      -0.666572      4.787478      5.126440
  H      -1.934464      4.746734      7.928570
  H      -0.262327      4.231633      7.552753
  H      -4.293667      2.122498      9.059151
  H      -3.762088      3.795661      8.803674
  H      -2.455637      1.199666      7.826457
  H      -1.731393      2.406883      8.929069
  C      -3.048609      0.886065      3.446270
  C      -3.855182     -0.362362      3.882473
  C      -5.330273     -0.333852      3.440929
  C      -5.540229      0.057266      2.008464
  N      -5.836467      1.353340      1.781914
  C      -6.022703      1.742553      0.494123
  N      -5.942917      0.991438     -0.601528
  C      -5.622377     -0.332285     -0.403145
  C      -5.503973     -1.192848     -1.527280
  C      -5.159370     -2.529828     -1.355930
  C      -4.921835     -3.052129     -0.057573
  C      -5.044339     -2.234894      1.063016
  C      -5.400928     -0.861142      0.918460
  C      -3.559071      6.257971      5.626548
  C      -3.404098      7.368698      4.573647
  C      -4.177578      7.060695      3.292097
  C      -5.678843      7.004923      3.476546
  N      -6.197694      7.541170      4.585588
  C      -7.536765      7.445320      4.753453
  N      -8.416545      6.851930      3.964344
  C      -7.912418      6.314162      2.806520
  C      -8.783518      5.684117      1.895932
  C      -8.309449      5.188166      0.705697
  C      -6.949298      5.292997      0.391903
  C      -6.063197      5.873228      1.272618
  C      -6.520866      6.392936      2.500068
  C      -6.003424      2.838369      7.187332
  C      -6.588867      4.245354      7.146542
  C      -8.114470      4.299719      7.154847
  C      -8.801689      3.795903      5.913505
  N      -8.056305      3.394472      4.885999
  C      -8.691917      2.936880      3.778252
  N      -9.993986      2.813278      3.588095
  C     -10.787320      3.228551      4.621417
  C     -12.191821      3.145990      4.484937
  C     -13.013254      3.554674      5.508884
  C     -12.464284      4.061845      6.699614
  C     -11.091645      4.157704      6.860099
  C     -10.226492      3.742807      5.830629
  H      -2.201778      0.579373      2.797903
  H      -3.685386      1.528079      2.816009
  H      -3.853600     -0.408706      4.982947
  H      -3.370255     -1.281527      3.524693
  H      -5.771257     -1.315173      3.634183
  H      -5.870117      0.388225      4.062112
  H      -6.275933      2.805519      0.359811
  H      -5.688911     -0.771258     -2.521718
  H      -5.067769     -3.183450     -2.228752
  H      -4.643155     -4.104831      0.061633
  H      -4.861136     -2.644960      2.063582
  H      -4.621128      5.988802      5.696558
  H      -3.293951      6.666626      6.620512
  H      -2.333174      7.500814      4.329493
  H      -3.766106      8.314757      5.003635
  H      -3.943351      7.809469      2.513478
  H      -3.821688      6.100436      2.876165
  H      -7.928298      7.910211      5.667718
  H      -9.831321      5.610932      2.161511
  H      -8.989073      4.709043      0.006479
  H      -6.588400      4.916279     -0.552207
  H      -5.015646      5.947342      1.017848
  H      -6.303459      2.343453      8.124551
  H      -6.438293      2.250227      6.370029
  H      -6.198649      4.814491      7.996955
  H      -6.224641      4.745539      6.250610
  H      -8.508781      3.753405      8.023302
  H      -8.433772      5.338878      7.304016
  H      -8.032321      2.625980      2.954047
  H     -12.594140      2.751308      3.553674
  H     -14.095615      3.486059      5.396208
  H     -13.123654      4.380065      7.497063
  H     -10.675857      4.555719      7.783008
  N      -5.243859      3.430215      3.993914
  H      -6.176409      3.505354      4.463371
  H      -5.385857      2.691522      3.276489
  H      -5.159719      4.277882      3.435549
99
Coordinates from ORCA-job orca E -6204.942182631698
  N      -2.516386      1.715741      4.521894
  Mo     -3.498284      3.217012      5.422436
  N      -4.521612      2.815626      7.056276
  C      -3.786263      2.783205      8.321255
  C      -2.379412      2.264820      8.049031
  N      -1.810339      2.943997      6.850115
  C      -0.779224      2.104392      6.175417
  C      -1.454832      1.071115      5.291818
  C      -1.277606      4.300884      7.165519
  C      -1.385500      5.156124      5.904686
  N      -2.756929      5.063143      5.389880
  H      -0.702238      0.632170      4.611028
  H      -1.841125      0.231392      5.907196
  H      -0.176110      2.773149      5.544077
  H      -0.110478      1.640136      6.926351
  H      -1.115142      6.199975      6.141391
  H      -0.660548      4.813770      5.146146
  H      -1.918343      4.734615      7.947229
  H      -0.246688      4.225532      7.560606
  H      -4.276590      2.109346      9.049403
  H      -3.747490      3.782911      8.802283
  H      -2.433433      1.191115      7.811733
  H      -1.712171      2.396713      8.921473
  C      -3.014076      0.909746      3.421458
  C      -3.832666     -0.338073      3.863074
  C      -5.321809     -0.300080      3.444525
  C      -5.545849      0.078876      2.009717
  N      -5.812091      1.377400      1.763365
  C      -5.992437      1.742817      0.475595
  N      -5.929319      0.962607     -0.603329
  C      -5.643872     -0.363255     -0.383837
  C      -5.541209     -1.250369     -1.487321
  C      -5.240246     -2.577026     -1.290980
  C      -5.038950     -3.066352      0.006470
  C      -5.138466     -2.227652      1.106933
  C      -5.441256     -0.862934      0.939594
  C      -3.564332      6.247805      5.658275
  C      -3.424917      7.369672      4.625399
  C      -4.181310      7.086342      3.334070
  C      -5.682361      7.026555      3.501421
  N      -6.207233      7.550587      4.612687
  C      -7.550204      7.458594      4.774778
  N      -8.433430      6.877119      3.975355
  C      -7.926866      6.348340      2.817519
  C      -8.806623      5.720727      1.902652
  C      -8.322752      5.213154      0.709260
  C      -6.947778      5.311914      0.397544
  C      -6.056152      5.895933      1.283721
  C      -6.522902      6.422850      2.514931
  C      -5.984249      2.820019      7.176250
  C      -6.584213      4.236302      7.106665
  C      -8.114011      4.289539      7.124230
  C      -8.798594      3.767294      5.884106
  N      -8.053186      3.365529      4.850529
  C      -8.684653      2.905215      3.733071
  N      -9.976872      2.776919      3.540024
  C     -10.773533      3.184088      4.582189
  C     -12.171844      3.092722      4.443717
  C     -13.003458      3.514822      5.474469
  C     -12.464997      4.041909      6.674622
  C     -11.097846      4.140383      6.837112
  C     -10.222220      3.712681      5.801630
  H      -2.165651      0.590642      2.789200
  H      -3.632752      1.554397      2.792456
  H      -3.814322     -0.402200      4.961477
  H      -3.361117     -1.257495      3.494378
  H      -5.768099     -1.284894      3.649936
  H      -5.861769      0.428347      4.069767
  H      -6.215295      2.812927      0.324250
  H      -5.703261     -0.850204     -2.484570
  H      -5.159786     -3.249954     -2.148655
  H      -4.801186     -4.110828      0.146404
  H      -4.979859     -2.616971      2.107061
  H      -4.621676      5.959408      5.715508
  H      -3.307805      6.641460      6.658997
  H      -2.369050      7.521327      4.404829
  H      -3.804325      8.286815      5.060009
  H      -3.949063      7.847131      2.573618
  H      -3.817617      6.137486      2.914560
  H      -7.942295      7.917371      5.690396
  H      -9.864687      5.651689      2.166248
  H      -9.005925      4.730439      0.007642
  H      -6.576857      4.920644     -0.554007
  H      -4.990581      5.960340      1.029955
  H      -6.288180      2.339609      8.130136
  H      -6.407642      2.207442      6.365311
  H      -6.198331      4.836735      7.949568
  H      -6.222628      4.725970      6.183551
  H      -8.506940      3.746563      8.009557
  H      -8.437726      5.341173      7.266591
  H      -8.030365      2.616246      2.909795
  H     -12.566927      2.687394      3.505617
  H     -14.083465      3.443281      5.361637
  H     -13.133082      4.374131      7.475043
  H     -10.692465      4.552881      7.766635
  N      -5.220343      3.462128      3.965159
  H      -6.181269      3.522716      4.398008
  H      -5.319517      2.724264      3.246201
  H      -5.125656      4.354200      3.438123
99
Coordinates from ORCA-job orca E -6204.942096481976
  N      -2.548809      1.710939      4.536436
  Mo     -3.517080      3.205243      5.420594
  N      -4.546354      2.813004      7.045652
  C      -3.812276      2.778735      8.306068
  C      -2.410540      2.262596      8.041692
  N      -1.833491      2.939015      6.850355
  C      -0.810383      2.095158      6.182830
  C      -1.489359      1.055925      5.308883
  C      -1.299143      4.293213      7.156629
  C      -1.393099      5.136883      5.889133
  N      -2.758359      5.047920      5.377585
  H      -0.725902      0.607226      4.633771
  H      -1.882597      0.213063      5.930731
  H      -0.208922      2.759166      5.555369
  H      -0.147968      1.631974      6.928237
  H      -1.114609      6.179010      6.120491
  H      -0.667483      4.784834      5.141834
  H      -1.940448      4.736731      7.926586
  H      -0.272595      4.227544      7.551580
  H      -4.301488      2.104291      9.030728
  H      -3.770878      3.774894      8.785707
  H      -2.471696      1.193308      7.805975
  H      -1.753459      2.392139      8.914012
  C      -3.022991      0.900127      3.419352
  C      -3.850068     -0.339308      3.849390
  C      -5.340560     -0.304450      3.429575
  C      -5.565658      0.080712      2.000974
  N      -5.860197      1.360978      1.762349
  C      -6.047399      1.728668      0.479883
  N      -5.972617      0.977996     -0.595944
  C      -5.646129     -0.333059     -0.384453
  C      -5.508018     -1.196176     -1.486507
  C      -5.132940     -2.524243     -1.300633
  C      -4.908133     -3.028851     -0.011681
  C      -5.054862     -2.206404      1.087565
  C      -5.423794     -0.844460      0.929143
  C      -3.539955      6.260227      5.636996
  C      -3.375411      7.369612      4.578873
  C      -4.166212      7.060553      3.297456
  C      -5.667120      7.026261      3.482419
  N      -6.186846      7.557383      4.597376
  C      -7.523551      7.461686      4.767666
  N      -8.405283      6.878050      3.978538
  C      -7.905032      6.345827      2.818352
  C      -8.783935      5.703556      1.915110
  C      -8.307646      5.173638      0.714690
  C      -6.941560      5.277160      0.383828
  C      -6.049721      5.881026      1.262754
  C      -6.508455      6.421339      2.502015
  C      -6.007600      2.824498      7.160282
  C      -6.601736      4.247993      7.112680
  C      -8.124818      4.295143      7.143276
  C      -8.811144      3.766953      5.907852
  N      -8.063211      3.354664      4.870887
  C      -8.700972      2.905259      3.759260
  N     -10.005648      2.789186      3.577010
  C     -10.802728      3.205091      4.622475
  C     -12.210954      3.125934      4.495366
  C     -13.037290      3.542658      5.532052
  C     -12.485036      4.051574      6.725270
  C     -11.110297      4.143952      6.877130
  C     -10.240459      3.721333      5.835463
  H      -2.152060      0.573134      2.807120
  H      -3.621798      1.552978      2.765316
  H      -3.833873     -0.400034      4.947300
  H      -3.378722     -1.260309      3.474422
  H      -5.783280     -1.297751      3.629074
  H      -5.883259      0.423176      4.057820
  H      -6.291694      2.777162      0.331486
  H      -5.684985     -0.784602     -2.476496
  H      -5.012648     -3.185254     -2.156988
  H      -4.607176     -4.077488      0.119299
  H      -4.876882     -2.604955      2.082572
  H      -4.606004      6.005374      5.716084
  H      -3.261946      6.666783      6.629144
  H      -2.294064      7.475179      4.321034
  H      -3.714907      8.342395      5.018158
  H      -3.924408      7.799943      2.507178
  H      -3.824646      6.087096      2.887390
  H      -7.915221      7.915901      5.680420
  H      -9.836243      5.634840      2.194396
  H      -8.991859      4.674388      0.018948
  H      -6.579871      4.868148     -0.573624
  H      -4.994645      5.946578      0.995126
  H      -6.314359      2.326693      8.105749
  H      -6.436716      2.229902      6.338181
  H      -6.206921      4.840574      7.961309
  H      -6.240701      4.741240      6.189030
  H      -8.510000      3.754888      8.031898
  H      -8.449602      5.347260      7.282161
  H      -8.045160      2.599579      2.929283
  H     -12.616558      2.731245      3.563219
  H     -14.123307      3.477273      5.426325
  H     -13.148285      4.374981      7.530792
  H     -10.692150      4.542541      7.800384
  N      -5.221176      3.456842      3.990013
  H      -6.165595      3.527356      4.442217
  H      -5.354711      2.731162      3.254340
  H      -5.114677      4.333101      3.464070
99
Coordinates from ORCA-job orca E -6204.942641422576
  N      -2.477644      1.715090      4.549841
  Mo     -3.481052      3.207581      5.431695
  N      -4.529054      2.804952      7.052367
  C      -3.807480      2.774082      8.329160
  C      -2.389978      2.270220      8.078030
  N      -1.807986      2.956177      6.887136
  C      -0.760721      2.126889      6.223000
  C      -1.415919      1.092675      5.316178
  C      -1.295991      4.319286      7.208081
  C      -1.386639      5.162055      5.934615
  N      -2.750314      5.060290      5.397970
  H      -0.659256      0.676845      4.636663
  H      -1.786895      0.246744      5.911419
  H      -0.150945      2.804708      5.603646
  H      -0.101632      1.663126      6.982937
  H      -1.129538      6.210121      6.170711
  H      -0.640815      4.818141      5.189367
  H      -1.961792      4.753280      7.975600
  H      -0.268745      4.255470      7.626341
  H      -4.301151      2.093284      9.047486
  H      -3.785151      3.773259      8.814315
  H      -2.430362      1.198041      7.835273
  H      -1.736130      2.405948      8.962042
  C      -2.950976      0.903859      3.434981
  C      -3.795749     -0.330009      3.858964
  C      -5.288123     -0.251322      3.459531
  C      -5.542523      0.120420      2.023342
  N      -5.795800      1.408266      1.762428
  C      -6.006855      1.772517      0.467861
  N      -5.994591      1.007396     -0.602406
  C      -5.717084     -0.310495     -0.370713
  C      -5.658549     -1.190431     -1.469797
  C      -5.352248     -2.530539     -1.269133
  C      -5.103908     -3.031935      0.037261
  C      -5.167963     -2.193260      1.135628
  C      -5.475179     -0.817784      0.960897
  C      -3.566649      6.257488      5.638715
  C      -3.409848      7.361784      4.582247
  C      -4.167044      7.043551      3.300943
  C      -5.665271      6.991771      3.481051
  N      -6.180230      7.517905      4.593280
  C      -7.520405      7.428257      4.763198
  N      -8.405648      6.851283      3.969221
  C      -7.910029      6.323873      2.811125
  C      -8.800759      5.711626      1.899775
  C      -8.333384      5.214433      0.698958
  C      -6.958825      5.307517      0.378056
  C      -6.059524      5.876862      1.264220
  C      -6.511826      6.393474      2.501067
  C      -5.988379      2.803940      7.151057
  C      -6.584716      4.206802      7.101352
  C      -8.108652      4.255053      7.093516
  C      -8.789961      3.757359      5.851065
  N      -8.041882      3.368796      4.824193
  C      -8.676632      2.917561      3.718301
  N      -9.979307      2.785881      3.530664
  C     -10.778430      3.186079      4.566425
  C     -12.186693      3.089073      4.436281
  C     -13.013089      3.489192      5.469332
  C     -12.463322      3.996899      6.658718
  C     -11.086030      4.100360      6.810724
  C     -10.217244      3.696791      5.772962
  H      -2.086474      0.575196      2.829342
  H      -3.550879      1.549939      2.776857
  H      -3.762517     -0.411813      4.957955
  H      -3.351283     -1.254311      3.463253
  H      -5.753885     -1.216595      3.681917
  H      -5.785509      0.493387      4.086379
  H      -6.213105      2.824608      0.306207
  H      -5.851657     -0.783068     -2.471727
  H      -5.301161     -3.203105     -2.126979
  H      -4.860237     -4.087692      0.179081
  H      -4.976324     -2.588574      2.142851
  H      -4.630247      5.978937      5.690587
  H      -3.319686      6.671071      6.642063
  H      -2.343141      7.495044      4.352499
  H      -3.780192      8.311295      4.999956
  H      -3.927798      7.784716      2.512197
  H      -3.808238      6.076792      2.900448
  H      -7.906254      7.883684      5.678571
  H      -9.858853      5.652243      2.171813
  H      -9.026344      4.748557     -0.000341
  H      -6.602217      4.929398     -0.575728
  H      -5.001125      5.941353      1.006169
  H      -6.296669      2.301562      8.081984
  H      -6.406402      2.217234      6.322720
  H      -6.208761      4.780440      7.953839
  H      -6.214210      4.707155      6.205708
  H      -8.501628      3.702535      7.952255
  H      -8.434459      5.288827      7.247892
  H      -8.015107      2.610254      2.896524
  H     -12.588469      2.693226      3.505019
  H     -14.099076      3.411815      5.362293
  H     -13.125945      4.312338      7.465811
  H     -10.669976      4.499017      7.734103
  N      -5.189113      3.448416      3.971685
  H      -6.131844      3.497177      4.404652
  H      -5.293894      2.714305      3.233757
  H      -5.101850      4.318304      3.458346
99
Coordinates from ORCA-job orca E -6204.943012724621
  N      -2.520841      1.711416      4.550695
  Mo     -3.500851      3.204581      5.435125
  N      -4.526180      2.811346      7.065735
  C      -3.790874      2.790870      8.328736
  C      -2.383839      2.272400      8.064630
  N      -1.812508      2.945715      6.863849
  C      -0.783641      2.101633      6.195158
  C      -1.462791      1.058082      5.330781
  C      -1.280420      4.304965      7.167048
  C      -1.393888      5.157662      5.905529
  N      -2.763072      5.056505      5.397740
  H      -0.700686      0.596249      4.655036
  H      -1.857752      0.225758      5.963274
  H      -0.191651      2.766823      5.557863
  H      -0.110979      1.649100      6.940830
  H      -1.124007      6.201417      6.137819
  H      -0.671917      4.816320      5.147967
  H      -1.914341      4.741857      7.945745
  H      -0.251898      4.236850      7.552758
  H      -4.278472      2.121079      9.061923
  H      -3.753564      3.792980      8.797980
  H      -2.437858      1.199952      7.833702
  H      -1.721276      2.410165      8.935019
  C      -3.000922      0.894466      3.438152
  C      -3.838703     -0.338740      3.865076
  C      -5.323107     -0.253452      3.469011
  C      -5.544971      0.125756      2.035775
  N      -5.801197      1.432296      1.796714
  C      -5.992767      1.812441      0.508406
  N      -5.950842      1.038917     -0.578216
  C      -5.673514     -0.296152     -0.367984
  C      -5.598720     -1.176942     -1.481527
  C      -5.308711     -2.519178     -1.298170
  C      -5.086944     -3.028127      0.001370
  C      -5.162974     -2.193135      1.111922
  C      -5.458319     -0.813394      0.955687
  C      -3.566140      6.251908      5.641367
  C      -3.427184      7.361408      4.591542
  C      -4.177530      7.059984      3.305244
  C      -5.673386      6.995376      3.468558
  N      -6.201056      7.520135      4.583823
  C      -7.543883      7.424719      4.745724
  N      -8.422463      6.841889      3.942497
  C      -7.908237      6.314698      2.777462
  C      -8.775813      5.690899      1.855385
  C      -8.291249      5.197737      0.658498
  C      -6.925125      5.305808      0.346692
  C      -6.041912      5.883371      1.238538
  C      -6.509070      6.395574      2.475284
  C      -5.987423      2.822462      7.181833
  C      -6.581235      4.233963      7.123577
  C      -8.108922      4.276556      7.137161
  C      -8.784375      3.745728      5.896403
  N      -8.033570      3.352326      4.874715
  C      -8.658743      2.891017      3.760613
  N      -9.952460      2.748093      3.561621
  C     -10.751782      3.145456      4.592407
  C     -12.153077      3.045461      4.450197
  C     -12.988910      3.467534      5.469940
  C     -12.455885      4.001025      6.663192
  C     -11.085512      4.105866      6.829862
  C     -10.206552      3.679599      5.805080
  H      -2.135969      0.557895      2.831601
  H      -3.603176      1.535799      2.778692
  H      -3.804193     -0.423367      4.961870
  H      -3.396834     -1.260377      3.461445
  H      -5.796375     -1.219252      3.684797
  H      -5.824178      0.495184      4.097496
  H      -6.212150      2.887691      0.365352
  H      -5.774926     -0.764194     -2.477621
  H      -5.251166     -3.187365     -2.163031
  H      -4.855782     -4.084330      0.130908
  H      -4.992732     -2.594203      2.113378
  H      -4.620468      5.965616      5.708285
  H      -3.310026      6.667284      6.630157
  H      -2.371770      7.516833      4.365499
  H      -3.807716      8.282178      5.013821
  H      -3.943532      7.811921      2.539100
  H      -3.811615      6.111852      2.894200
  H      -7.942256      7.882103      5.666480
  H      -9.827833      5.618316      2.117388
  H      -8.967949      4.720239     -0.049780
  H      -6.557547      4.930438     -0.604638
  H      -4.988480      5.957738      0.985549
  H      -6.296069      2.335542      8.127006
  H      -6.412616      2.220823      6.367181
  H      -6.194502      4.820137      7.967961
  H      -6.220435      4.726740      6.214449
  H      -8.500841      3.736028      8.019783
  H      -8.440951      5.321331      7.270143
  H      -8.000641      2.612189      2.943554
  H     -12.545101      2.637822      3.517436
  H     -14.071341      3.393522      5.352739
  H     -13.129259      4.336872      7.456235
  H     -10.682326      4.526196      7.753672
  N      -5.208720      3.459225      3.996883
  H      -6.148684      3.526989      4.433856
  H      -5.335761      2.741395      3.255022
  H      -5.112630      4.332334      3.463883
99
Coordinates from ORCA-job orca E -6204.943503951474
  N      -2.491728      1.728071      4.523073
  Mo     -3.485809      3.215387      5.428956
  N      -4.523464      2.791650      7.046208
  C      -3.798035      2.762580      8.315661
  C      -2.384691      2.258442      8.056675
  N      -1.806591      2.948135      6.871770
  C      -0.768518      2.120330      6.198355
  C      -1.431412      1.089482      5.300206
  C      -1.284842      4.303294      7.198155
  C      -1.390204      5.163531      5.939577
  N      -2.758084      5.065809      5.418725
  H      -0.667941      0.660830      4.625745
  H      -1.817433      0.242977      5.907719
  H      -0.163680      2.797829      5.578295
  H      -0.104051      1.651966      6.949358
  H      -1.128025      6.207254      6.185097
  H      -0.655709      4.830189      5.185394
  H      -1.931155      4.729284      7.979373
  H      -0.253723      4.235798      7.594863
  H      -4.288784      2.082511      9.037209
  H      -3.771733      3.761647      8.798831
  H      -2.429160      1.186615      7.812101
  H      -1.730590      2.390044      8.938483
  C      -2.965800      0.921869      3.408152
  C      -3.806711     -0.318301      3.828930
  C      -5.309331     -0.227986      3.457938
  C      -5.555055      0.140253      2.022466
  N      -5.784927      1.436909      1.758079
  C      -5.967282      1.784312      0.468706
  N      -5.941943      0.988373     -0.594099
  C      -5.697038     -0.337592     -0.356642
  C      -5.630523     -1.245086     -1.443987
  C      -5.350759     -2.581956     -1.231247
  C      -5.142425     -3.057867      0.067844
  C      -5.212562     -2.196139      1.153025
  C      -5.489394     -0.821767      0.968064
  C      -3.559192      6.263385      5.665816
  C      -3.396757      7.367304      4.608286
  C      -4.176738      7.056979      3.317348
  C      -5.689839      7.018636      3.485274
  N      -6.220686      7.528914      4.599018
  C      -7.560893      7.428689      4.751286
  N      -8.436397      6.853997      3.942855
  C      -7.925691      6.344733      2.782411
  C      -8.796205      5.721678      1.856260
  C      -8.306562      5.226193      0.660906
  C      -6.935860      5.335227      0.357998
  C      -6.051086      5.914195      1.256164
  C      -6.524893      6.427319      2.489399
  C      -5.985248      2.795158      7.158303
  C      -6.584222      4.215916      7.111524
  C      -8.113688      4.265160      7.123691
  C      -8.791492      3.755288      5.873827
  N      -8.037670      3.366834      4.831913
  C      -8.665178      2.917255      3.708662
  N      -9.962658      2.789426      3.516458
  C     -10.766490      3.182613      4.565864
  C     -12.167511      3.082377      4.429417
  C     -12.999396      3.461685      5.468541
  C     -12.460338      3.958253      6.675795
  C     -11.093429      4.075191      6.837137
  C     -10.216537      3.688260      5.792824
  H      -2.095894      0.588167      2.808958
  H      -3.554617      1.574888      2.753597
  H      -3.752846     -0.429193      4.922001
  H      -3.370753     -1.235464      3.405124
  H      -5.785449     -1.199365      3.688541
  H      -5.808090      0.528743      4.090358
  H      -6.147326      2.848093      0.301116
  H      -5.794497     -0.855378     -2.442437
  H      -5.292814     -3.273799     -2.075844
  H      -4.918510     -4.112508      0.220489
  H      -5.047867     -2.576458      2.155229
  H      -4.621846      5.991490      5.726518
  H      -3.302190      6.674560      6.661349
  H      -2.317280      7.486402      4.367688
  H      -3.753946      8.326577      5.040703
  H      -3.930272      7.799967      2.534939
  H      -3.825419      6.082969      2.905280
  H      -7.957666      7.866704      5.668865
  H      -9.851099      5.643541      2.112298
  H      -8.983180      4.744726     -0.050791
  H      -6.562775      4.951091     -0.596039
  H      -4.987897      5.983619      1.010550
  H      -6.291639      2.296781      8.103098
  H      -6.408343      2.198812      6.335209
  H      -6.201600      4.803457      7.968389
  H      -6.215828      4.721550      6.196916
  H      -8.507311      3.706768      7.999980
  H      -8.441354      5.315196      7.281117
  H      -8.002123      2.629860      2.878780
  H     -12.562491      2.696260      3.486707
  H     -14.079280      3.375632      5.356700
  H     -13.126813      4.248253      7.482694
  H     -10.687041      4.461309      7.772162
  N      -5.200232      3.479724      3.981674
  H      -6.161715      3.517951      4.415735
  H      -5.286899      2.758027      3.241365
  H      -5.104373      4.383917      3.486068
99
Coordinates from ORCA-job orca E -6204.944373443532
  N      -2.490939      1.730933      4.540134
  Mo     -3.486959      3.211458      5.433625
  N      -4.530377      2.802686      7.052787
  C      -3.807291      2.767128      8.325080
  C      -2.397269      2.262521      8.070299
  N      -1.815104      2.951550      6.883971
  C      -0.777627      2.120501      6.218149
  C      -1.440865      1.087235      5.322229
  C      -1.296848      4.312407      7.205116
  C      -1.385692      5.163422      5.938863
  N      -2.747339      5.062392      5.406865
  H      -0.677356      0.655164      4.656375
  H      -1.832241      0.244742      5.924328
  H      -0.173786      2.795988      5.601017
  H      -0.118052      1.654200      6.967981
  H      -1.124789      6.208576      6.178891
  H      -0.644195      4.824036      5.196420
  H      -1.955400      4.743932      7.972691
  H      -0.271784      4.248185      7.616526
  H      -4.298923      2.084875      9.042522
  H      -3.779407      3.762735      8.811180
  H      -2.445850      1.193179      7.826520
  H      -1.745586      2.391118      8.949484
  C      -2.939281      0.917394      3.414369
  C      -3.800366     -0.306196      3.825073
  C      -5.297299     -0.203168      3.454744
  C      -5.557847      0.150676      2.022857
  N      -5.819613      1.434779      1.752622
  C      -6.045322      1.781347      0.463145
  N      -6.037304      1.003623     -0.594418
  C      -5.745578     -0.313756     -0.352726
  C      -5.688306     -1.204406     -1.436075
  C      -5.375520     -2.535994     -1.221754
  C      -5.126092     -3.018678      0.079902
  C      -5.187721     -2.170026      1.162236
  C      -5.494876     -0.802783      0.974428
  C      -3.552420      6.264503      5.640493
  C      -3.395425      7.366767      4.578045
  C      -4.155625      7.050275      3.295666
  C      -5.650083      6.999072      3.472768
  N      -6.168802      7.511619      4.592020
  C      -7.504915      7.416536      4.760368
  N      -8.386454      6.849647      3.961361
  C      -7.887767      6.334385      2.797542
  C      -8.773353      5.720306      1.883521
  C      -8.302332      5.220821      0.673858
  C      -6.932881      5.322763      0.345953
  C      -6.037800      5.898034      1.235998
  C      -6.491405      6.409721      2.484179
  C      -5.991286      2.800681      7.155088
  C      -6.594933      4.206693      7.115761
  C      -8.117326      4.242330      7.118825
  C      -8.788095      3.737248      5.871020
  N      -8.026688      3.354579      4.841296
  C      -8.645266      2.905732      3.720053
  N      -9.942826      2.764029      3.522817
  C     -10.755950      3.151138      4.562609
  C     -12.158468      3.039327      4.421120
  C     -13.001475      3.434776      5.453025
  C     -12.472248      3.952068      6.654275
  C     -11.100995      4.067791      6.819310
  C     -10.214487      3.667855      5.782972
  H      -2.053330      0.569587      2.845418
  H      -3.503351      1.566252      2.727274
  H      -3.746559     -0.415600      4.919343
  H      -3.377698     -1.227127      3.396836
  H      -5.778353     -1.162389      3.692289
  H      -5.777403      0.558161      4.082773
  H      -6.276929      2.840092      0.292952
  H      -5.887951     -0.808956     -2.436107
  H      -5.324938     -3.216245     -2.065919
  H      -4.881268     -4.068026      0.233641
  H      -4.995726     -2.551680      2.166299
  H      -4.615955      5.991149      5.701341
  H      -3.298331      6.680549      6.637108
  H      -2.327624      7.496925      4.343956
  H      -3.761210      8.319471      4.997446
  H      -3.917199      7.787676      2.505106
  H      -3.799036      6.087469      2.897770
  H      -7.894942      7.861818      5.678401
  H      -9.829811      5.657274      2.160678
  H      -8.991264      4.748141     -0.029443
  H      -6.576771      4.940355     -0.619522
  H      -4.981046      5.964513      0.971941
  H      -6.298752      2.293444      8.085919
  H      -6.409269      2.214057      6.325218
  H      -6.216092      4.786321      7.970742
  H      -6.231612      4.711755      6.211545
  H      -8.506875      3.685996      7.983454
  H      -8.451741      5.278475      7.273005
  H      -7.974062      2.614421      2.896158
  H     -12.545380      2.638909      3.481641
  H     -14.083151      3.347030      5.336815
  H     -13.149019      4.264277      7.457376
  H     -10.701324      4.472913      7.750192
  N      -5.182914      3.473775      3.990410
  H      -6.131122      3.525231      4.436294
  H      -5.306132      2.766184      3.234084
  H      -5.090792      4.359548      3.481284
99
Coordinates from ORCA-job orca E -6204.943320222049
  N      -2.462397      1.699946      4.565515
  Mo     -3.468421      3.188177      5.434105
  N      -4.518626      2.779118      7.044250
  C      -3.802658      2.770865      8.317834
  C      -2.379976      2.273158      8.080959
  N      -1.796898      2.954109      6.893071
  C      -0.746901      2.124813      6.233080
  C      -1.396020      1.079462      5.338420
  C      -1.291278      4.315261      7.208548
  C      -1.399362      5.160166      5.940752
  N      -2.759598      5.044952      5.413045
  H      -0.621768      0.646421      4.658348
  H      -1.767665      0.231828      5.953021
  H      -0.139084      2.799392      5.609357
  H      -0.086369      1.667971      6.994998
  H      -1.151257      6.208550      6.183967
  H      -0.655785      4.826584      5.190005
  H      -1.945335      4.749519      7.983353
  H      -0.260730      4.262639      7.610236
  H      -4.294297      2.096666      9.042839
  H      -3.789787      3.775770      8.787916
  H      -2.413404      1.199581      7.845239
  H      -1.735809      2.420231      8.970527
  C      -2.929951      0.881980      3.450524
  C      -3.788364     -0.344345      3.855669
  C      -5.280450     -0.195422      3.511121
  C      -5.536052      0.188170      2.078464
  N      -5.731443      1.486680      1.833451
  C      -5.922916      1.862861      0.544319
  N      -5.944841      1.095563     -0.534412
  C      -5.730234     -0.236968     -0.319700
  C      -5.708586     -1.122303     -1.428911
  C      -5.449020     -2.482213     -1.247358
  C      -5.213590     -2.996695      0.050182
  C      -5.249351     -2.150591      1.158870
  C      -5.508696     -0.755589      1.002766
  C      -3.581817      6.239250      5.637179
  C      -3.439745      7.339737      4.576445
  C      -4.183064      7.013415      3.290721
  C      -5.683212      6.959009      3.450608
  N      -6.211716      7.487452      4.568905
  C      -7.560645      7.401412      4.729645
  N      -8.443268      6.828196      3.920270
  C      -7.929481      6.302369      2.749588
  C      -8.807634      5.701779      1.817787
  C      -8.322774      5.214918      0.616472
  C      -6.943580      5.307697      0.310007
  C      -6.053157      5.865738      1.211529
  C      -6.522707      6.371172      2.451204
  C      -5.979900      2.786204      7.141394
  C      -6.572090      4.204106      7.094367
  C      -8.100941      4.250425      7.096158
  C      -8.775452      3.735808      5.852158
  N      -8.024534      3.359538      4.823677
  C      -8.658043      2.911420      3.716201
  N      -9.961190      2.768291      3.526642
  C     -10.759632      3.149743      4.564033
  C     -12.170853      3.045430      4.435318
  C     -13.001442      3.440659      5.468955
  C     -12.453671      3.948832      6.660101
  C     -11.075067      4.059813      6.812426
  C     -10.202529      3.662544      5.773753
  H      -2.053222      0.540610      2.863036
  H      -3.521638      1.525559      2.781445
  H      -3.715477     -0.482022      4.945865
  H      -3.392333     -1.257246      3.393684
  H      -5.783020     -1.137412      3.747116
  H      -5.722289      0.573536      4.153260
  H      -6.070765      2.922615      0.393303
  H      -5.885880     -0.706111     -2.423232
  H      -5.421580     -3.161211     -2.111312
  H      -4.998161     -4.071201      0.176896
  H      -5.068089     -2.556596      2.159569
  H      -4.639262      5.951208      5.693376
  H      -3.340320      6.669229      6.630671
  H      -2.380196      7.492665      4.350243
  H      -3.824772      8.274568      4.987629
  H      -3.937353      7.753423      2.507213
  H      -3.819110      6.045431      2.898175
  H      -7.959110      7.854276      5.654361
  H      -9.869488      5.645148      2.076050
  H      -9.007289      4.759114     -0.098318
  H      -6.575795      4.939723     -0.640844
  H      -4.992389      5.932372      0.965964
  H      -6.296428      2.281649      8.078071
  H      -6.401472      2.199689      6.311072
  H      -6.192392      4.779409      7.948864
  H      -6.195542      4.703869      6.193605
  H      -8.496056      3.695904      7.965419
  H      -8.432968      5.294679      7.242461
  H      -7.999399      2.629301      2.896068
  H     -12.573460      2.653445      3.504179
  H     -14.090934      3.361905      5.362128
  H     -13.121825      4.261161      7.465988
  H     -10.659204      4.460601      7.735419
  N      -5.153355      3.461542      3.983138
  H      -6.102486      3.514968      4.395117
  H      -5.253018      2.744108      3.232650
  H      -5.041903      4.341044      3.490877
99
Coordinates from ORCA-job orca E -6204.944982904776
  N      -2.474079      1.746607      4.530152
  Mo     -3.475835      3.222159      5.442817
  N      -4.514028      2.787863      7.058168
  C      -3.787905      2.764801      8.329446
  C      -2.372532      2.263115      8.070889
  N      -1.797186      2.956485      6.883668
  C      -0.757212      2.132575      6.207650
  C      -1.420895      1.099644      5.317208
  C      -1.275858      4.314956      7.210724
  C      -1.393574      5.187450      5.963052
  N      -2.761629      5.081738      5.448187
  H      -0.654263      0.658463      4.649078
  H      -1.815722      0.260331      5.931423
  H      -0.165245      2.814058      5.585060
  H      -0.085535      1.671633      6.951489
  H      -1.136231      6.230777      6.213110
  H      -0.663121      4.866523      5.204218
  H      -1.913224      4.731496      7.996927
  H      -0.246121      4.246200      7.595572
  H      -4.275020      2.084997      9.053740
  H      -3.764699      3.764798      8.806888
  H      -2.412881      1.192086      7.826830
  H      -1.717680      2.396868      8.949218
  C      -2.933808      0.934291      3.407799
  C      -3.788685     -0.298847      3.814667
  C      -5.290503     -0.166109      3.475967
  C      -5.555395      0.172720      2.036397
  N      -5.774641      1.474519      1.746925
  C      -5.987059      1.811492      0.449557
  N      -5.997587      0.996653     -0.602585
  C      -5.768043     -0.333682     -0.341553
  C      -5.754594     -1.257810     -1.418588
  C      -5.509740     -2.600808     -1.185918
  C      -5.275266     -3.067265      0.127556
  C      -5.289943     -2.189363      1.203644
  C      -5.536193     -0.807153      0.996844
  C      -3.567246      6.274952      5.680596
  C      -3.408771      7.375967      4.624066
  C      -4.169002      7.064689      3.330794
  C      -5.677855      7.011918      3.486831
  N      -6.213045      7.505561      4.604762
  C      -7.554274      7.400959      4.751061
  N      -8.424757      6.833974      3.930941
  C      -7.906183      6.340258      2.765667
  C      -8.768013      5.729794      1.826843
  C      -8.276771      5.263682      0.626793
  C      -6.909446      5.383738      0.330290
  C      -6.031116      5.945975      1.240165
  C      -6.506960      6.431789      2.479268
  C      -5.974437      2.786919      7.167735
  C      -6.581460      4.194772      7.120991
  C      -8.108133      4.226336      7.113459
  C      -8.769224      3.716684      5.853623
  N      -8.009153      3.350908      4.823988
  C      -8.622904      2.902293      3.696084
  N      -9.913073      2.754711      3.488803
  C     -10.723078      3.125798      4.526292
  C     -12.121268      3.013314      4.376416
  C     -12.963478      3.388237      5.405159
  C     -12.439877      3.888003      6.614570
  C     -11.074010      4.010934      6.788398
  C     -10.188410      3.632711      5.754906
  H      -2.055360      0.588408      2.832125
  H      -3.506567      1.582790      2.729739
  H      -3.712214     -0.442999      4.903572
  H      -3.381832     -1.210967      3.350100
  H      -5.790774     -1.110515      3.741882
  H      -5.744294      0.618370      4.098265
  H      -6.159442      2.878540      0.266688
  H      -5.939950     -0.877246     -2.426318
  H      -5.498894     -3.303457     -2.023705
  H      -5.081551     -4.125229      0.295760
  H      -5.109701     -2.560691      2.216354
  H      -4.625017      5.992925      5.736225
  H      -3.320354      6.694483      6.671934
  H      -2.336636      7.513740      4.398573
  H      -3.782912      8.319248      5.046569
  H      -3.924291      7.809882      2.557476
  H      -3.805468      6.103586      2.917932
  H      -7.955068      7.824709      5.675352
  H      -9.818989      5.642392      2.076725
  H      -8.948509      4.794591     -0.094696
  H      -6.537369      5.025027     -0.625634
  H      -4.974041      6.025830      1.000051
  H      -6.281328      2.287418      8.107906
  H      -6.390041      2.191155      6.343641
  H      -6.213913      4.773803      7.981524
  H      -6.213909      4.707372      6.222365
  H      -8.502104      3.661144      7.979612
  H      -8.449881      5.264289      7.270965
  H      -7.955907      2.639200      2.875409
  H     -12.504652      2.628025      3.431369
  H     -14.042706      3.299154      5.282843
  H     -13.116378      4.180982      7.415618
  H     -10.679339      4.403186      7.725800
  N      -5.182991      3.503225      3.990184
  H      -6.133987      3.532047      4.413041
  H      -5.269353      2.796544      3.225107
  H      -5.093445      4.402123      3.504042
99
Coordinates from ORCA-job orca E -6204.944647594914
  N      -2.467492      1.725126      4.540439
  Mo     -3.472349      3.204184      5.432777
  N      -4.530633      2.778491      7.039176
  C      -3.817585      2.749513      8.316832
  C      -2.398409      2.256608      8.076184
  N      -1.807137      2.952215      6.899646
  C      -0.759955      2.128419      6.237860
  C      -1.408111      1.095961      5.326583
  C      -1.300455      4.312626      7.230334
  C      -1.389713      5.167297      5.962772
  N      -2.750084      5.059123      5.418773
  H      -0.631481      0.678437      4.658959
  H      -1.790229      0.243599      5.923810
  H      -0.146795      2.809002      5.629830
  H      -0.106722      1.656995      6.995134
  H      -1.139715      6.212807      6.211181
  H      -0.637706      4.835288      5.221928
  H      -1.966023      4.739570      8.000856
  H      -0.272102      4.255689      7.646632
  H      -4.312173      2.062322      9.030279
  H      -3.803203      3.746641      8.804871
  H      -2.436180      1.186516      7.827282
  H      -1.758626      2.387548      8.967603
  C      -2.905195      0.912730      3.407191
  C      -3.760334     -0.321438      3.798550
  C      -5.267726     -0.191180      3.474559
  C      -5.543441      0.171454      2.046189
  N      -5.776487      1.464799      1.783486
  C      -5.994970      1.813083      0.497412
  N      -6.004870      1.024960     -0.562696
  C      -5.751943     -0.303165     -0.327413
  C      -5.721569     -1.204555     -1.411903
  C      -5.449620     -2.540533     -1.201135
  C      -5.215507     -3.018064      0.095206
  C      -5.248000     -2.160888      1.177857
  C      -5.512364     -0.789763      0.994122
  C      -3.566224      6.261614      5.636423
  C      -3.410962      7.362627      4.567638
  C      -4.165662      7.042031      3.281334
  C      -5.664194      6.989806      3.449929
  N      -6.187614      7.487235      4.574727
  C      -7.523442      7.383323      4.739031
  N      -8.403594      6.825148      3.930107
  C      -7.901188      6.331040      2.757677
  C      -8.781982      5.727676      1.831286
  C      -8.301711      5.235663      0.619613
  C      -6.930049      5.338077      0.299547
  C      -6.040499      5.908118      1.198665
  C      -6.502875      6.411294      2.450380
  C      -5.993890      2.780054      7.137992
  C      -6.588784      4.193995      7.125195
  C      -8.116589      4.239080      7.131730
  C      -8.786706      3.749773      5.876926
  N      -8.020485      3.382229      4.837233
  C      -8.638221      2.942287      3.708868
  N      -9.937630      2.796645      3.511603
  C     -10.753628      3.168018      4.560363
  C     -12.154087      3.042755      4.418587
  C     -12.998509      3.411349      5.457193
  C     -12.473104      3.919138      6.668097
  C     -11.105254      4.051127      6.835072
  C     -10.215238      3.673564      5.791132
  H      -2.008952      0.570719      2.844746
  H      -3.471572      1.561454      2.722826
  H      -3.672238     -0.478558      4.883598
  H      -3.357556     -1.226812      3.317470
  H      -5.762037     -1.149214      3.720952
  H      -5.723280      0.582665      4.120519
  H      -6.203173      2.883993      0.330426
  H      -5.910166     -0.811085     -2.408180
  H      -5.421117     -3.228538     -2.043686
  H      -5.004111     -4.069790      0.246796
  H      -5.067732     -2.540678      2.177726
  H      -4.628027      5.983166      5.690187
  H      -3.324592      6.684987      6.632973
  H      -2.342504      7.499397      4.333201
  H      -3.783147      8.313304      4.984188
  H      -3.923165      7.781841      2.492391
  H      -3.806777      6.077089      2.884673
  H      -7.916022      7.812807      5.665099
  H      -9.840375      5.661743      2.101585
  H      -8.985801      4.766669     -0.092040
  H      -6.566060      4.956103     -0.668575
  H      -4.977718      5.971654      0.941139
  H      -6.303817      2.257991      8.060286
  H      -6.417663      2.209764      6.299769
  H      -6.204489      4.757848      7.990664
  H      -6.218470      4.714002      6.229942
  H      -8.513108      3.668424      7.989854
  H      -8.446507      5.280894      7.301358
  H      -7.963976      2.665174      2.879109
  H     -12.538822      2.649161      3.472632
  H     -14.076895      3.309069      5.340360
  H     -13.150201      4.204855      7.474411
  H     -10.707877      4.444707      7.772802
  N      -5.163634      3.494528      4.002944
  H      -6.120367      3.547429      4.451111
  H      -5.281303      2.797410      3.246787
  H      -5.062770      4.392965      3.501567
99
Coordinates from ORCA-job orca E -6204.945331157593
  N      -2.460407      1.743675      4.530306
  Mo     -3.469568      3.212252      5.434690
  N      -4.508066      2.783170      7.046399
  C      -3.787868      2.753369      8.317747
  C      -2.375218      2.255752      8.062551
  N      -1.798641      2.950046      6.880128
  C      -0.758845      2.127977      6.207152
  C      -1.418951      1.095645      5.313419
  C      -1.284297      4.308199      7.208974
  C      -1.387544      5.172179      5.955487
  N      -2.748121      5.065337      5.432797
  H      -0.657536      0.659021      4.651438
  H      -1.813361      0.253721      5.914899
  H      -0.160544      2.808113      5.589362
  H      -0.092823      1.661973      6.953235
  H      -1.134903      6.217640      6.205262
  H      -0.648921      4.846186      5.205567
  H      -1.935063      4.730242      7.986653
  H      -0.257012      4.243328      7.608948
  H      -4.275443      2.069740      9.035530
  H      -3.767077      3.749804      8.802242
  H      -2.416967      1.186126      7.817259
  H      -1.724427      2.386576      8.942818
  C      -2.903502      0.929424      3.410695
  C      -3.786618     -0.280546      3.811956
  C      -5.282568     -0.100821      3.494541
  C      -5.553933      0.234612      2.060705
  N      -5.741009      1.520382      1.766383
  C      -5.957182      1.844616      0.474821
  N      -6.005010      1.040697     -0.563161
  C      -5.789701     -0.282054     -0.297249
  C      -5.786457     -1.204756     -1.360573
  C      -5.528235     -2.551309     -1.124928
  C      -5.286212     -3.016381      0.178863
  C      -5.303754     -2.133856      1.242931
  C      -5.552501     -0.749880      1.032984
  C      -3.559879      6.253936      5.664970
  C      -3.414765      7.355610      4.608750
  C      -4.169917      7.039176      3.319599
  C      -5.670533      6.981395      3.479020
  N      -6.204963      7.482242      4.600205
  C      -7.547053      7.385983      4.751509
  N      -8.419885      6.824810      3.933083
  C      -7.902829      6.321408      2.765363
  C      -8.774896      5.721286      1.829125
  C      -8.286923      5.251933      0.621061
  C      -6.914890      5.367112      0.315396
  C      -6.030865      5.923160      1.224900
  C      -6.501327      6.406111      2.471438
  C      -5.968398      2.774943      7.147379
  C      -6.584090      4.180202      7.103727
  C      -8.108869      4.203605      7.099320
  C      -8.771332      3.699002      5.843747
  N      -8.005069      3.331832      4.813734
  C      -8.617822      2.890907      3.685690
  N      -9.912512      2.746091      3.480095
  C     -10.730845      3.116626      4.519512
  C     -12.132927      3.002292      4.370228
  C     -12.981990      3.378355      5.402157
  C     -12.459598      3.879527      6.612049
  C     -11.089864      4.000379      6.784791
  C     -10.196811      3.620019      5.748488
  H      -2.015367      0.564412      2.867329
  H      -3.439729      1.576384      2.709772
  H      -3.692119     -0.442401      4.897126
  H      -3.420229     -1.194321      3.327551
  H      -5.808158     -1.024308      3.765214
  H      -5.698543      0.696154      4.120844
  H      -6.118176      2.905639      0.284877
  H      -5.974293     -0.824397     -2.362773
  H      -5.513199     -3.258433     -1.954344
  H      -5.076429     -4.081544      0.349308
  H      -5.116047     -2.504617      2.248947
  H      -4.619433      5.966759      5.723032
  H      -3.310812      6.673925      6.658842
  H      -2.348940      7.497198      4.383724
  H      -3.792670      8.296518      5.029845
  H      -3.929989      7.778887      2.536551
  H      -3.804273      6.078438      2.920074
  H      -7.950551      7.823248      5.673977
  H      -9.834788      5.651265      2.087651
  H      -8.966342      4.797153     -0.099524
  H      -6.547816      5.015499     -0.646860
  H      -4.973043      6.003855      0.978835
  H      -6.277371      2.268784      8.083105
  H      -6.379022      2.180718      6.317029
  H      -6.218089      4.764525      7.963454
  H      -6.218340      4.691120      6.199419
  H      -8.498466      3.636053      7.959080
  H      -8.452854      5.237546      7.260443
  H      -7.943125      2.608185      2.865094
  H     -12.514650      2.614927      3.424546
  H     -14.063738      3.288084      5.280238
  H     -13.141362      4.175593      7.414964
  H     -10.695717      4.393155      7.722218
  N      -5.164208      3.496771      3.966291
  H      -6.121855      3.523677      4.385351
  H      -5.262794      2.803483      3.195129
  H      -5.063372      4.406145      3.496597
99
Coordinates from ORCA-job orca E -6204.943668052664
  N      -2.433085      1.734011      4.556794
  Mo     -3.451406      3.205267      5.448147
  N      -4.510197      2.769676      7.050683
  C      -3.795134      2.760848      8.329113
  C      -2.367627      2.274048      8.092265
  N      -1.785455      2.969157      6.909221
  C      -0.727392      2.152336      6.245151
  C      -1.368376      1.108515      5.344508
  C      -1.284817      4.333850      7.238238
  C      -1.399372      5.196250      5.983473
  N      -2.759335      5.075308      5.451456
  H      -0.582934      0.675724      4.672045
  H      -1.747543      0.260596      5.960259
  H      -0.130593      2.838207      5.627898
  H      -0.062037      1.698738      7.000825
  H      -1.157466      6.243961      6.234273
  H      -0.656299      4.876438      5.230966
  H      -1.936475      4.749982      8.018307
  H      -0.256778      4.277986      7.635793
  H      -4.283126      2.078101      9.048972
  H      -3.791669      3.763195      8.803315
  H      -2.391627      1.201807      7.849106
  H      -1.725187      2.418690      8.981046
  C      -2.878544      0.915686      3.424847
  C      -3.727952     -0.324403      3.811909
  C      -5.236300     -0.161986      3.525031
  C      -5.541377      0.192472      2.091170
  N      -5.755048      1.501460      1.816566
  C      -6.001059      1.860812      0.520419
  N      -6.051163      1.061297     -0.543392
  C      -5.835762     -0.276419     -0.299233
  C      -5.875449     -1.184635     -1.391356
  C      -5.657071     -2.537122     -1.178596
  C      -5.388254     -3.027559      0.134115
  C      -5.347688     -2.164385      1.225717
  C      -5.571042     -0.773434      1.037470
  C      -3.581361      6.269740      5.663719
  C      -3.418414      7.366022      4.599244
  C      -4.167349      7.041067      3.305850
  C      -5.675458      6.988891      3.458881
  N      -6.211056      7.484417      4.580573
  C      -7.557121      7.383246      4.729623
  N      -8.429759      6.820209      3.906259
  C      -7.908413      6.327225      2.734319
  C      -8.770790      5.726782      1.789825
  C      -8.277600      5.263832      0.589646
  C      -6.902710      5.374397      0.295579
  C      -6.025315      5.928934      1.209020
  C      -6.505140      6.413179      2.448131
  C      -5.970124      2.765693      7.150921
  C      -6.582178      4.178252      7.111306
  C      -8.109155      4.203210      7.093800
  C      -8.759804      3.701031      5.825463
  N      -7.996541      3.366889      4.796653
  C      -8.607871      2.932540      3.669621
  N      -9.900345      2.772251      3.459888
  C     -10.711208      3.113069      4.495742
  C     -12.115251      2.993894      4.345928
  C     -12.960968      3.350421      5.377245
  C     -12.436371      3.832414      6.587320
  C     -11.064673      3.958058      6.760457
  C     -10.177997      3.603163      5.724756
  H      -1.990423      0.576627      2.855045
  H      -3.460987      1.558837      2.738312
  H      -3.614170     -0.512333      4.892003
  H      -3.347294     -1.218111      3.293288
  H      -5.743120     -1.095208      3.803859
  H      -5.646765      0.628597      4.166338
  H      -6.150907      2.920733      0.348469
  H      -6.086122     -0.786002     -2.396148
  H      -5.690689     -3.228311     -2.028598
  H      -5.216847     -4.091882      0.286408
  H      -5.145263     -2.552564      2.237713
  H      -4.639502      5.983962      5.708584
  H      -3.350057      6.699019      6.658371
  H      -2.345554      7.508505      4.376632
  H      -3.799446      8.314111      5.012526
  H      -3.917372      7.783393      2.526887
  H      -3.802096      6.072399      2.899432
  H      -7.958715      7.803282      5.658411
  H      -9.824316      5.644442      2.036964
  H      -8.950194      4.801637     -0.133788
  H      -6.527471      5.015217     -0.655371
  H      -4.965164      6.003370      0.973276
  H      -6.280819      2.253195      8.088359
  H      -6.379418      2.176591      6.315295
  H      -6.224815      4.752391      7.980629
  H      -6.207211      4.699699      6.218914
  H      -8.507171      3.627177      7.954689
  H      -8.458606      5.240949      7.255637
  H      -7.942791      2.698477      2.852495
  H     -12.499380      2.623719      3.400276
  H     -14.046035      3.261637      5.254174
  H     -13.116268      4.115502      7.393142
  H     -10.668832      4.341285      7.699008
  N      -5.135464      3.505963      4.006178
  H      -6.081603      3.533458      4.427583
  H      -5.228460      2.799061      3.232114
  H      -5.040086      4.390094      3.525722
99
Coordinates from ORCA-job orca E -6204.946368739895
  N      -2.442448      1.750820      4.528247
  Mo     -3.460843      3.216467      5.437180
  N      -4.512720      2.770379      7.041112
  C      -3.797194      2.742705      8.319407
  C      -2.373715      2.256961      8.073950
  N      -1.793486      2.961939      6.896815
  C      -0.740734      2.149389      6.226459
  C      -1.388161      1.115360      5.321575
  C      -1.289360      4.322263      7.236239
  C      -1.398294      5.194225      5.984552
  N      -2.760952      5.080196      5.451007
  H      -0.609760      0.685199      4.656640
  H      -1.776635      0.269243      5.928317
  H      -0.144122      2.837948      5.613186
  H      -0.074938      1.686490      6.976585
  H      -1.152845      6.238514      6.241458
  H      -0.653880      4.877733      5.233211
  H      -1.944009      4.733759      8.017253
  H      -0.260131      4.263664      7.637720
  H      -4.286414      2.051317      9.032751
  H      -3.788381      3.739659      8.807161
  H      -2.402588      1.186866      7.822693
  H      -1.729634      2.391269      8.961876
  C      -2.879165      0.936247      3.396446
  C      -3.744219     -0.294172      3.783606
  C      -5.253396     -0.118623      3.504516
  C      -5.552642      0.220217      2.071261
  N      -5.735247      1.519169      1.776465
  C      -5.961402      1.848917      0.482144
  N      -6.022540      1.031377     -0.560767
  C      -5.828703     -0.300349     -0.294188
  C      -5.858948     -1.233802     -1.361587
  C      -5.638685     -2.584141     -1.124051
  C      -5.395329     -3.043591      0.186169
  C      -5.372340     -2.153471      1.253597
  C      -5.585100     -0.767048      1.040782
  C      -3.579025      6.271462      5.671735
  C      -3.423801      7.377320      4.616784
  C      -4.165867      7.066415      3.321139
  C      -5.669475      7.004907      3.469027
  N      -6.208013      7.486439      4.592996
  C      -7.548346      7.373159      4.739602
  N      -8.416689      6.813669      3.912687
  C      -7.895285      6.334277      2.739745
  C      -8.757191      5.729252      1.794203
  C      -8.260166      5.261586      0.586997
  C      -6.887967      5.382162      0.289395
  C      -6.013470      5.948905      1.205529
  C      -6.494346      6.431012      2.453014
  C      -5.973332      2.761226      7.139331
  C      -6.581882      4.164759      7.123311
  C      -8.108943      4.190538      7.109220
  C      -8.764078      3.707889      5.841186
  N      -7.992909      3.356187      4.808165
  C      -8.600328      2.918724      3.673765
  N      -9.893417      2.766520      3.462535
  C     -10.713509      3.122315      4.503213
  C     -12.111355      2.993254      4.349411
  C     -12.959852      3.342448      5.382383
  C     -12.443539      3.834604      6.599502
  C     -11.079087      3.973398      6.777559
  C     -10.186273      3.618262      5.739911
  H      -1.982555      0.584406      2.846303
  H      -3.434569      1.583117      2.699470
  H      -3.625960     -0.487332      4.860417
  H      -3.377444     -1.191952      3.262033
  H      -5.771824     -1.048225      3.792462
  H      -5.659189      0.682977      4.139967
  H      -6.111633      2.918153      0.292800
  H      -6.049597     -0.857786     -2.367015
  H      -5.655276     -3.297505     -1.954858
  H      -5.220465     -4.108271      0.358711
  H      -5.185987     -2.519995      2.264110
  H      -4.636431      5.983393      5.716584
  H      -3.345812      6.693421      6.666833
  H      -2.356540      7.525550      4.399985
  H      -3.808904      8.314970      5.033546
  H      -3.921124      7.814272      2.549275
  H      -3.795071      6.108934      2.914680
  H      -7.952371      7.785541      5.668856
  H      -9.813021      5.642996      2.046593
  H      -8.930368      4.791990     -0.139368
  H      -6.510346      5.018999     -0.671746
  H      -4.952036      6.028238      0.965272
  H      -6.281347      2.239283      8.062092
  H      -6.387898      2.186835      6.301097
  H      -6.217016      4.722919      7.994734
  H      -6.210962      4.694818      6.241792
  H      -8.503407      3.605675      7.954605
  H      -8.455529      5.219969      7.287402
  H      -7.922460      2.655444      2.850599
  H     -12.488433      2.610827      3.398575
  H     -14.037152      3.237058      5.257067
  H     -13.124304      4.105130      7.403006
  H     -10.688647      4.356739      7.720698
  N      -5.145918      3.523745      3.989849
  H      -6.098987      3.550612      4.415255
  H      -5.234100      2.832120      3.214372
  H      -5.053261      4.431366      3.520941
99
Coordinates from ORCA-job orca E -6204.944404382943
  N      -2.433969      1.725537      4.547720
  Mo     -3.450762      3.195160      5.436993
  N      -4.511791      2.762078      7.036832
  C      -3.804879      2.746436      8.313778
  C      -2.386882      2.256974      8.080462
  N      -1.792584      2.949173      6.905577
  C      -0.745312      2.128013      6.244376
  C      -1.388735      1.092753      5.336441
  C      -1.289354      4.311431      7.233936
  C      -1.382852      5.167591      5.975541
  N      -2.734857      5.050748      5.434031
  H      -0.614619      0.672719      4.679020
  H      -1.775726      0.240526      5.926543
  H      -0.134203      2.809121      5.637304
  H      -0.090061      1.658521      6.999611
  H      -1.142511      6.215605      6.228470
  H      -0.629898      4.843749      5.236435
  H      -1.949157      4.736378      8.005776
  H      -0.264754      4.253166      7.643252
  H      -4.296707      2.065283      9.029294
  H      -3.797473      3.745026      8.792336
  H      -2.421534      1.186771      7.836768
  H      -1.752318      2.391635      8.972670
  C      -2.850335      0.912085      3.412956
  C      -3.728708     -0.304791      3.788910
  C      -5.230683     -0.101194      3.519294
  C      -5.533237      0.246767      2.095865
  N      -5.743608      1.537172      1.820231
  C      -5.987952      1.869888      0.536042
  N      -6.041903      1.074129     -0.509239
  C      -5.810614     -0.253498     -0.261456
  C      -5.833472     -1.159424     -1.330652
  C      -5.589489     -2.494839     -1.108850
  C      -5.324774     -2.970730      0.184522
  C      -5.304403     -2.108463      1.253029
  C      -5.548026     -0.731261      1.058934
  C      -3.559917      6.247259      5.636142
  C      -3.403714      7.334204      4.554820
  C      -4.169673      6.993621      3.273331
  C      -5.671229      6.946476      3.448064
  N      -6.198023      7.451056      4.573538
  C      -7.538206      7.363941      4.733350
  N      -8.417815      6.812463      3.920033
  C      -7.911488      6.310861      2.747880
  C      -8.794742      5.734241      1.814165
  C      -8.318074      5.274794      0.601215
  C      -6.945898      5.376130      0.287606
  C      -6.051653      5.904493      1.194655
  C      -6.511196      6.381485      2.445153
  C      -5.975337      2.756599      7.135915
  C      -6.589050      4.173294      7.108185
  C      -8.117255      4.204277      7.102820
  C      -8.769228      3.701360      5.838963
  N      -7.996831      3.375036      4.802740
  C      -8.601222      2.948139      3.665776
  N      -9.893216      2.780011      3.456975
  C     -10.719074      3.112695      4.502817
  C     -12.121497      2.984315      4.348552
  C     -12.985550      3.347280      5.385599
  C     -12.475023      3.843098      6.605650
  C     -11.103067      3.969844      6.783852
  C     -10.195368      3.605346      5.741816
  H      -1.947959      0.557863      2.880318
  H      -3.386676      1.557844      2.710671
  H      -3.603642     -0.518590      4.861852
  H      -3.382212     -1.195522      3.249671
  H      -5.762502     -1.021486      3.792025
  H      -5.618143      0.698343      4.169131
  H      -6.177190      2.939054      0.358982
  H      -6.044802     -0.767120     -2.325510
  H      -5.606640     -3.184852     -1.940655
  H      -5.133636     -4.024499      0.344618
  H      -5.104223     -2.486808      2.250859
  H      -4.622441      5.962548      5.688569
  H      -3.322546      6.681410      6.632262
  H      -2.329347      7.462035      4.313297
  H      -3.770799      8.297559      4.968487
  H      -3.925292      7.721729      2.468420
  H      -3.814404      6.019680      2.884353
  H      -7.936214      7.807888      5.657962
  H      -9.856356      5.677953      2.078514
  H      -9.006596      4.842675     -0.116283
  H      -6.589934      5.035567     -0.679722
  H      -4.992979      5.975158      0.944224
  H      -6.286463      2.237921      8.068977
  H      -6.387162      2.169635      6.297227
  H      -6.225925      4.754111      7.979577
  H      -6.212824      4.695679      6.203041
  H      -8.520368      3.630721      7.968814
  H      -8.458037      5.252630      7.266288
  H      -7.924427      2.706156      2.842416
  H     -12.495465      2.607567      3.395408
  H     -14.068808      3.253336      5.258770
  H     -13.168745      4.133002      7.412219
  H     -10.719549      4.360679      7.728958
  N      -5.141898      3.501951      3.990490
  H      -6.103806      3.527576      4.412905
  H      -5.251993      2.815756      3.221008
  H      -5.031551      4.414507      3.518620
99
Coordinates from ORCA-job orca E -6204.947063399271
  N      -2.424795      1.746368      4.536667
  Mo     -3.449355      3.207075      5.439873
  N      -4.508560      2.758183      7.036784
  C      -3.799177      2.736832      8.316055
  C      -2.375349      2.253859      8.078657
  N      -1.788526      2.958198      6.905909
  C      -0.733575      2.147665      6.239324
  C      -1.374082      1.113683      5.329797
  C      -1.290109      4.319786      7.245629
  C      -1.394039      5.190390      5.994013
  N      -2.751040      5.070839      5.453935
  H      -0.593767      0.690548      4.669082
  H      -1.760998      0.263071      5.928063
  H      -0.132694      2.837189      5.631723
  H      -0.071962      1.682615      6.991216
  H      -1.156169      6.236421      6.254105
  H      -0.642415      4.877576      5.247773
  H      -1.948758      4.731747      8.024000
  H      -0.262605      4.263479      7.650846
  H      -4.288874      2.047479      9.028778
  H      -3.795160      3.734160      8.800344
  H      -2.402580      1.184346      7.827685
  H      -1.738057      2.388321      8.970539
  C      -2.843821      0.931863      3.398937
  C      -3.716222     -0.294154      3.773055
  C      -5.224645     -0.092654      3.522671
  C      -5.543411      0.244490      2.094696
  N      -5.731627      1.538900      1.801322
  C      -5.982154      1.866992      0.510926
  N      -6.059710      1.054966     -0.528181
  C      -5.856565     -0.275259     -0.263476
  C      -5.901837     -1.203141     -1.328042
  C      -5.676753     -2.550843     -1.092926
  C      -5.413759     -3.012793      0.212354
  C      -5.375152     -2.127448      1.277238
  C      -5.591289     -0.743066      1.066929
  C      -3.576079      6.261258      5.661822
  C      -3.421790      7.361776      4.599831
  C      -4.166771      7.042700      3.305392
  C      -5.669208      6.981141      3.456015
  N      -6.207296      7.460951      4.582607
  C      -7.548342      7.353559      4.729798
  N      -8.417801      6.800972      3.901650
  C      -7.897493      6.322769      2.726671
  C      -8.763657      5.729756      1.779623
  C      -8.270979      5.273697      0.567904
  C      -6.898488      5.394757      0.267279
  C      -6.019496      5.946185      1.185964
  C      -6.496024      6.416422      2.437642
  C      -5.970505      2.748707      7.132162
  C      -6.585119      4.157208      7.115625
  C      -8.111717      4.179708      7.103255
  C      -8.763204      3.692058      5.833435
  N      -7.990475      3.356382      4.798021
  C      -8.595486      2.929899      3.659735
  N      -9.889164      2.775350      3.447319
  C     -10.711988      3.115925      4.490828
  C     -12.112797      2.991456      4.334744
  C     -12.966682      3.336056      5.370136
  C     -12.451482      3.815327      6.591217
  C     -11.083790      3.947240      6.771511
  C     -10.186128      3.599029      5.731463
  H      -1.939054      0.578842      2.865665
  H      -3.385810      1.576921      2.692357
  H      -3.579103     -0.516515      4.842510
  H      -3.372200     -1.180725      3.220733
  H      -5.753220     -1.010701      3.818702
  H      -5.602832      0.715445      4.165580
  H      -6.134942      2.930954      0.321837
  H      -6.109535     -0.823689     -2.330067
  H      -5.705756     -3.260225     -1.922024
  H      -5.236730     -4.075729      0.383068
  H      -5.174025     -2.495971      2.284085
  H      -4.633669      5.969717      5.704793
  H      -3.347921      6.689240      6.657649
  H      -2.353475      7.507771      4.379333
  H      -3.805384      8.304244      5.015900
  H      -3.922608      7.786346      2.525941
  H      -3.796386      6.083073      2.902831
  H      -7.952981      7.766828      5.659534
  H      -9.821406      5.648216      2.034034
  H      -8.945771      4.818380     -0.159787
  H      -6.526586      5.045940     -0.698100
  H      -4.959241      6.027666      0.944417
  H      -6.281173      2.223310      8.057428
  H      -6.380434      2.171904      6.289739
  H      -6.224132      4.722396      7.990485
  H      -6.212711      4.688959      6.227038
  H      -8.508000      3.594602      7.953389
  H      -8.459465      5.213846      7.279578
  H      -7.917750      2.679004      2.836236
  H     -12.489296      2.621773      3.380782
  H     -14.047075      3.238222      5.242410
  H     -13.136835      4.085530      7.396939
  H     -10.695289      4.323534      7.717581
  N      -5.135812      3.522062      3.992553
  H      -6.092652      3.542608      4.418484
  H      -5.234552      2.838711      3.209809
  H      -5.037679      4.431758      3.529731
99
Coordinates from ORCA-job orca E -6204.947008074481
  N      -2.415674      1.753506      4.529715
  Mo     -3.446036      3.213534      5.437112
  N      -4.508064      2.751161      7.029742
  C      -3.800983      2.727007      8.311850
  C      -2.374058      2.249991      8.076508
  N      -1.787052      2.963584      6.908376
  C      -0.727060      2.159844      6.239623
  C      -1.361257      1.125710      5.324086
  C      -1.292873      4.324457      7.257790
  C      -1.404660      5.203549      6.014802
  N      -2.760130      5.078830      5.473177
  H      -0.576134      0.706686      4.662043
  H      -1.744243      0.271350      5.922643
  H      -0.128000      2.854484      5.634679
  H      -0.064297      1.694967      6.991979
  H      -1.172668      6.247884      6.284798
  H      -0.653104      4.902611      5.266209
  H      -1.948509      4.727415      8.041019
  H      -0.264249      4.270567      7.658413
  H      -4.290156      2.033047      9.021393
  H      -3.801228      3.723519      8.799940
  H      -2.395722      1.181054      7.820176
  H      -1.739913      2.383163      8.971469
  C      -2.830451      0.944940      3.388426
  C      -3.703749     -0.284271      3.751169
  C      -5.214445     -0.063247      3.529523
  C      -5.550025      0.262244      2.102132
  N      -5.715657      1.557880      1.793075
  C      -5.966069      1.872997      0.500480
  N      -6.068745      1.045499     -0.527216
  C      -5.895769     -0.285030     -0.245857
  C      -5.974461     -1.228481     -1.297047
  C      -5.778531     -2.579205     -1.045574
  C      -5.509763     -3.029503      0.263173
  C      -5.438584     -2.128480      1.315298
  C      -5.628957     -0.739106      1.088305
  C      -3.586429      6.268225      5.674411
  C      -3.418313      7.367518      4.611910
  C      -4.159591      7.047377      3.313972
  C      -5.666680      6.991286      3.458031
  N      -6.211113      7.467542      4.585071
  C      -7.553745      7.358675      4.724757
  N      -8.419541      6.810674      3.887616
  C      -7.892438      6.339686      2.711108
  C      -8.753312      5.756588      1.753451
  C      -8.252148      5.307009      0.544046
  C      -6.875900      5.422761      0.255829
  C      -6.001930      5.964668      1.183516
  C      -6.487971      6.430668      2.432578
  C      -5.968863      2.737005      7.121842
  C      -6.582194      4.138415      7.132091
  C      -8.109998      4.159504      7.102010
  C      -8.751913      3.695845      5.822526
  N      -7.971806      3.380431      4.789471
  C      -8.567592      2.951525      3.647628
  N      -9.854417      2.769384      3.428597
  C     -10.683933      3.088343      4.468958
  C     -12.077507      2.928064      4.307714
  C     -12.940750      3.259619      5.341645
  C     -12.442560      3.760350      6.566626
  C     -11.080007      3.919579      6.751932
  C     -10.172667      3.583857      5.713508
  H      -1.923586      0.595732      2.855655
  H      -3.375862      1.593249      2.684953
  H      -3.548149     -0.535795      4.811428
  H      -3.377247     -1.159588      3.168556
  H      -5.751387     -0.970213      3.846275
  H      -5.568104      0.757624      4.168300
  H      -6.107126      2.943325      0.299542
  H      -6.183605     -0.859668     -2.302027
  H      -5.833659     -3.300784     -1.864322
  H      -5.353380     -4.096099      0.446656
  H      -5.234574     -2.487995      2.325223
  H      -4.644897      5.978123      5.707889
  H      -3.367502      6.698496      6.671181
  H      -2.343958      7.508328      4.394693
  H      -3.800176      8.316373      5.025861
  H      -3.906583      7.790358      2.535087
  H      -3.790424      6.082800      2.911654
  H      -7.963311      7.766364      5.657388
  H      -9.812611      5.676299      1.998499
  H      -8.921897      4.858866     -0.191352
  H      -6.497508      5.077544     -0.706494
  H      -4.938460      6.041686      0.951989
  H      -6.278199      2.195490      8.032133
  H      -6.380592      2.178289      6.271459
  H      -6.228549      4.676191      8.019195
  H      -6.203093      4.689850      6.267548
  H      -8.509145      3.557523      7.932225
  H      -8.464162      5.183735      7.294164
  H      -7.885321      2.722469      2.825879
  H     -12.441606      2.542957      3.350776
  H     -14.016258      3.135809      5.210527
  H     -13.136539      4.022316      7.371161
  H     -10.703346      4.308971      7.701272
  N      -5.111528      3.552296      3.996041
  H      -6.065100      3.569664      4.404398
  H      -5.190841      2.871418      3.210526
  H      -5.010164      4.471456      3.550912
99
Coordinates from ORCA-job orca E -6204.947472629158
  N      -2.386563      1.765037      4.523658
  Mo     -3.438021      3.207559      5.438324
  N      -4.498405      2.732861      7.028770
  C      -3.793821      2.714165      8.313400
  C      -2.361603      2.251001      8.080085
  N      -1.781733      2.968683      6.911538
  C      -0.713617      2.173996      6.244276
  C      -1.340521      1.134741      5.332261
  C      -1.298672      4.333816      7.264130
  C      -1.413708      5.212894      6.020116
  N      -2.768193      5.079055      5.478668
  H      -0.549595      0.705920      4.678455
  H      -1.730257      0.286836      5.936296
  H      -0.122951      2.872838      5.637779
  H      -0.046013      1.717284      6.996347
  H      -1.189032      6.259840      6.285908
  H      -0.660587      4.912410      5.271838
  H      -1.962104      4.731236      8.046074
  H      -0.271478      4.283970      7.670548
  H      -4.278561      2.013501      9.019851
  H      -3.806556      3.709944      8.803698
  H      -2.371057      1.181206      7.825459
  H      -1.728279      2.391713      8.974057
  C      -2.780867      0.950524      3.374220
  C      -3.657063     -0.280663      3.727174
  C      -5.171631     -0.038008      3.555421
  C      -5.538148      0.293448      2.134679
  N      -5.685312      1.591813      1.824159
  C      -5.956789      1.906977      0.534567
  N      -6.092968      1.075781     -0.489513
  C      -5.941603     -0.256119     -0.206776
  C      -6.058767     -1.201575     -1.254026
  C      -5.889097     -2.551246     -1.000983
  C      -5.608197     -2.999945      0.305959
  C      -5.497888     -2.097980      1.354214
  C      -5.660098     -0.709060      1.125291
  C      -3.601254      6.263163      5.674303
  C      -3.436339      7.364797      4.615856
  C      -4.165454      7.049141      3.313017
  C      -5.672290      6.987259      3.445159
  N      -6.227527      7.461857      4.566531
  C      -7.570223      7.351488      4.695134
  N      -8.426977      6.803812      3.851347
  C      -7.887267      6.333699      2.680711
  C      -8.735108      5.748167      1.716895
  C      -8.219109      5.295944      0.513786
  C      -6.840682      5.410129      0.238441
  C      -5.981845      5.957861      1.171905
  C      -6.482254      6.426440      2.414338
  C      -5.957713      2.711132      7.124012
  C      -6.580482      4.111253      7.134226
  C      -8.108240      4.123078      7.103392
  C      -8.745402      3.667390      5.815901
  N      -7.959904      3.365405      4.780047
  C      -8.551385      2.960355      3.628429
  N      -9.840962      2.795138      3.401363
  C     -10.675676      3.099605      4.443918
  C     -12.070521      2.952841      4.272880
  C     -12.934570      3.253359      5.307763
  C     -12.437505      3.713663      6.543840
  C     -11.075819      3.866931      6.738865
  C     -10.166870      3.560116      5.699475
  H      -1.862985      0.594902      2.866160
  H      -3.306029      1.594256      2.650325
  H      -3.471284     -0.570513      4.772363
  H      -3.356657     -1.139206      3.106811
  H      -5.712799     -0.940467      3.889752
  H      -5.497969      0.789348      4.206817
  H      -6.085380      2.981706      0.333919
  H      -6.277968     -0.833703     -2.257415
  H      -5.974381     -3.273578     -1.817002
  H      -5.473732     -4.064840      0.491387
  H      -5.284809     -2.457017      2.362349
  H      -4.657555      5.965043      5.699362
  H      -3.391741      6.691598      6.673160
  H      -2.365570      7.512902      4.409857
  H      -3.827294      8.305350      5.026395
  H      -3.913247      7.796411      2.540701
  H      -3.787954      6.090343      2.909787
  H      -7.989396      7.762383      5.623108
  H      -9.795910      5.665907      1.952115
  H      -8.877744      4.844149     -0.226309
  H      -6.448348      5.059895     -0.718237
  H      -4.915906      6.033502      0.950337
  H      -6.261788      2.170046      8.038730
  H      -6.364693      2.146140      6.273789
  H      -6.234507      4.654373      8.025636
  H      -6.203962      4.669332      6.268259
  H      -8.507868      3.512402      7.930560
  H      -8.466472      5.146001      7.304684
  H      -7.862214      2.734215      2.806197
  H     -12.432542      2.596160      3.307312
  H     -14.008957      3.134324      5.168798
  H     -13.130104      3.946809      7.349053
  H     -10.700253      4.224649      7.697049
  N      -5.121129      3.550307      3.997062
  H      -6.078124      3.540147      4.422591
  H      -5.192694      2.882867      3.197219
  H      -5.041945      4.477604      3.568988
99
Coordinates from ORCA-job orca E -6204.947266235307
  N      -2.395708      1.785995      4.517821
  Mo     -3.428890      3.231886      5.439771
  N      -4.502152      2.751387      7.018435
  C      -3.801094      2.717614      8.302562
  C      -2.371241      2.245646      8.070465
  N      -1.780155      2.968143      6.913093
  C      -0.717146      2.175626      6.237741
  C      -1.347892      1.150706      5.312276
  C      -1.288689      4.325434      7.278824
  C      -1.384046      5.217660      6.037093
  N      -2.737857      5.102867      5.480726
  H      -0.564229      0.742029      4.654781
  H      -1.733653      0.291246      5.896191
  H      -0.122201      2.880242      5.639874
  H      -0.050550      1.704917      6.983709
  H      -1.152607      6.263054      6.310676
  H      -0.621862      4.912708      5.291962
  H      -1.955563      4.722760      8.062584
  H      -0.262255      4.260468      7.692155
  H      -4.292678      2.014185      9.001222
  H      -3.808959      3.708302      8.800909
  H      -2.389523      1.179543      7.804282
  H      -1.740491      2.371230      8.969496
  C      -2.791136      0.977595      3.368362
  C      -3.643611     -0.263564      3.698547
  C      -5.157337     -0.019140      3.543345
  C      -5.537925      0.283237      2.124919
  N      -5.696586      1.574651      1.797928
  C      -5.998411      1.874735      0.510154
  N      -6.149586      1.033940     -0.497345
  C      -5.980829     -0.298243     -0.199603
  C      -6.110724     -1.256464     -1.230961
  C      -5.927856     -2.605875     -0.963399
  C      -5.627050     -3.038206      0.343862
  C      -5.505216     -2.122533      1.376975
  C      -5.672581     -0.736216      1.132420
  C      -3.576942      6.284621      5.683855
  C      -3.417023      7.402998      4.641327
  C      -4.134282      7.105786      3.330535
  C      -5.636488      7.016714      3.454161
  N      -6.194417      7.457953      4.584683
  C      -7.532416      7.320789      4.715476
  N      -8.383075      6.770398      3.865660
  C      -7.843168      6.329733      2.686292
  C      -8.686384      5.729302      1.720517
  C      -8.172234      5.292488      0.509599
  C      -6.801031      5.444129      0.225088
  C      -5.946908      6.014296      1.159144
  C      -6.443092      6.458194      2.413679
  C      -5.963496      2.719207      7.108667
  C      -6.606929      4.118344      7.125241
  C      -8.134082      4.104896      7.105934
  C      -8.766033      3.634236      5.815323
  N      -7.978712      3.336526      4.776779
  C      -8.566966      2.927113      3.621343
  N      -9.857415      2.765796      3.393644
  C     -10.694748      3.072450      4.438742
  C     -12.095170      2.942779      4.265890
  C     -12.961715      3.241727      5.301954
  C     -12.459563      3.676730      6.540862
  C     -11.095212      3.818667      6.738536
  C     -10.185747      3.521585      5.698121
  H      -1.876756      0.638652      2.850931
  H      -3.329853      1.615965      2.663021
  H      -3.435006     -0.578516      4.733989
  H      -3.349254     -1.101543      3.044659
  H      -5.702703     -0.907808      3.892836
  H      -5.462698      0.821263      4.186038
  H      -6.113744      2.930994      0.292612
  H      -6.351606     -0.897658     -2.234444
  H      -6.024224     -3.337513     -1.766684
  H      -5.489075     -4.100624      0.541896
  H      -5.279053     -2.470057      2.385591
  H      -4.633025      5.980500      5.701890
  H      -3.374813      6.700773      6.689598
  H      -2.351147      7.568662      4.444671
  H      -3.819837      8.328059      5.063886
  H      -3.890811      7.872892      2.575401
  H      -3.741627      6.165628      2.911680
  H      -7.950879      7.698561      5.651378
  H      -9.743276      5.621076      1.962619
  H      -8.828932      4.824316     -0.229718
  H      -6.410590      5.101910     -0.738722
  H      -4.886386      6.119873      0.930377
  H      -6.268156      2.166327      8.023878
  H      -6.359874      2.154739      6.249868
  H      -6.268015      4.673182      8.020314
  H      -6.241426      4.685916      6.251746
  H      -8.525381      3.485027      7.940187
  H      -8.505839      5.129573      7.311539
  H      -7.876926      2.694490      2.800244
  H     -12.459844      2.605352      3.299034
  H     -14.041434      3.139359      5.160926
  H     -13.153380      3.907732      7.347287
  H     -10.718993      4.163344      7.698810
  N      -5.120025      3.610209      3.994006
  H      -6.075487      3.625279      4.421147
  H      -5.232547      2.952039      3.193984
  H      -5.008886      4.529219      3.549743
99
Coordinates from ORCA-job orca E -6204.948090050488
  N      -2.369713      1.776747      4.526080
  Mo     -3.424974      3.210139      5.438372
  N      -4.499663      2.724559      7.013580
  C      -3.802984      2.703977      8.302042
  C      -2.367085      2.247018      8.079680
  N      -1.779660      2.971162      6.919831
  C      -0.705714      2.184480      6.253672
  C      -1.324736      1.149122      5.331269
  C      -1.300774      4.334728      7.280956
  C      -1.407645      5.221898      6.040029
  N      -2.758191      5.086706      5.487536
  H      -0.531036      0.736450      4.682114
  H      -1.708402      0.292157      5.921486
  H      -0.115905      2.890324      5.655560
  H      -0.039893      1.723972      7.003822
  H      -1.187520      6.268383      6.314225
  H      -0.646114      4.926998      5.296860
  H      -1.966987      4.728439      8.062091
  H      -0.274962      4.284961      7.690902
  H      -4.289539      1.998420      9.001224
  H      -3.823648      3.696625      8.795715
  H      -2.373048      1.178905      7.821500
  H      -1.743121      2.385438      8.980031
  C      -2.738290      0.970264      3.363374
  C      -3.607164     -0.266600      3.685621
  C      -5.121280     -0.000833      3.564639
  C      -5.522550      0.315805      2.154162
  N      -5.659578      1.609196      1.830885
  C      -5.970690      1.914270      0.547636
  N      -6.153810      1.078563     -0.458048
  C      -6.010920     -0.254236     -0.162870
  C      -6.172369     -1.210157     -1.192151
  C      -6.013155     -2.562348     -0.926529
  C      -5.705345     -2.998204      0.376721
  C      -5.551816     -2.084351      1.407655
  C      -5.693650     -0.697075      1.164134
  C      -3.595564      6.269272      5.678762
  C      -3.428239      7.380709      4.629381
  C      -4.147870      7.076391      3.315011
  C      -5.651141      6.994792      3.435835
  N      -6.211498      7.442096      4.563503
  C      -7.552968      7.314398      4.687291
  N      -8.404744      6.772197      3.833918
  C      -7.861174      6.326984      2.656022
  C      -8.706477      5.739710      1.683292
  C      -8.189769      5.304733      0.473400
  C      -6.813097      5.441106      0.198910
  C      -5.954758      5.992653      1.141531
  C      -6.456023      6.439819      2.392621
  C      -5.961117      2.696780      7.101455
  C      -6.600396      4.093520      7.142445
  C      -8.124209      4.081712      7.107467
  C      -8.749586      3.638980      5.807211
  N      -7.958723      3.372566      4.765460
  C      -8.540506      2.979808      3.602792
  N      -9.827160      2.803417      3.369773
  C     -10.667937      3.077852      4.417086
  C     -12.064587      2.932113      4.239642
  C     -12.938676      3.214931      5.280136
  C     -12.448005      3.649688      6.527547
  C     -11.085164      3.799303      6.729566
  C     -10.167725      3.516451      5.684936
  H      -1.805933      0.625481      2.867569
  H      -3.257925      1.614758      2.633485
  H      -3.385028     -0.606130      4.709486
  H      -3.336784     -1.095186      3.011284
  H      -5.671117     -0.883742      3.925770
  H      -5.402503      0.842159      4.214139
  H      -6.073041      2.975096      0.331564
  H      -6.415374     -0.849663     -2.192615
  H      -6.130588     -3.294826     -1.728917
  H      -5.582482     -4.064787      0.572936
  H      -5.317561     -2.434534      2.413365
  H      -4.651625      5.968216      5.692239
  H      -3.398040      6.693212      6.682732
  H      -2.357358      7.535955      4.431095
  H      -3.826204      8.316945      5.047606
  H      -3.903299      7.837422      2.554482
  H      -3.756657      6.131293      2.900341
  H      -7.974150      7.693448      5.620584
  H      -9.767543      5.642088      1.919092
  H      -8.848178      4.849269     -0.273681
  H      -6.422068      5.103604     -0.763022
  H      -4.891539      6.087531      0.920116
  H      -6.266467      2.129383      8.003328
  H      -6.361635      2.150945      6.234943
  H      -6.266170      4.621927      8.051324
  H      -6.226169      4.676711      6.288602
  H      -8.515063      3.449191      7.921990
  H      -8.498791      5.095173      7.327908
  H      -7.851036      2.783552      2.777852
  H     -12.422370      2.598613      3.266234
  H     -14.016393      3.104115      5.135595
  H     -13.150125      3.873978      7.337319
  H     -10.716238      4.143272      7.696063
  N      -5.097962      3.575958      4.001761
  H      -6.055795      3.551155      4.430142
  H      -5.181521      2.914391      3.192930
  H      -5.013267      4.508362      3.584679
99
Coordinates from ORCA-job orca E -6204.947074554078
  N      -2.357853      1.781917      4.498349
  Mo     -3.417820      3.217318      5.418614
  N      -4.490569      2.711397      6.993463
  C      -3.794344      2.678875      8.283777
  C      -2.355562      2.232005      8.056621
  N      -1.769933      2.971688      6.903095
  C      -0.691589      2.193907      6.234099
  C      -1.301749      1.159712      5.304892
  C      -1.298177      4.335515      7.276569
  C      -1.416097      5.232227      6.049361
  N      -2.762456      5.091770      5.491694
  H      -0.495986      0.750238      4.646977
  H      -1.680689      0.298672      5.899770
  H      -0.100843      2.904735      5.639277
  H      -0.026225      1.733141      6.987069
  H      -1.207118      6.274014      6.339305
  H      -0.656949      4.956746      5.302186
  H      -1.961591      4.715996      8.064027
  H      -0.272436      4.288310      7.682085
  H      -4.279624      1.964356      8.976484
  H      -3.819358      3.667450      8.788186
  H      -2.355127      1.166203      7.785535
  H      -1.732351      2.363392      8.960307
  C      -2.732681      0.977336      3.336503
  C      -3.579218     -0.281107      3.658616
  C      -5.100345     -0.025609      3.586699
  C      -5.544399      0.284647      2.180391
  N      -5.693428      1.574491      1.846263
  C      -6.009742      1.862592      0.559753
  N      -6.191367      1.015625     -0.439469
  C      -6.052065     -0.306411     -0.130871
  C      -6.220192     -1.268414     -1.151343
  C      -6.059374     -2.614498     -0.874613
  C      -5.732037     -3.043520      0.431603
  C      -5.569802     -2.122963      1.454702
  C      -5.725602     -0.735124      1.200755
  C      -3.612386      6.259847      5.706656
  C      -3.454356      7.385851      4.673358
  C      -4.173428      7.095406      3.355573
  C      -5.682656      7.010082      3.467640
  N      -6.264280      7.458475      4.590871
  C      -7.609896      7.334585      4.696772
  N      -8.446523      6.797234      3.827712
  C      -7.879620      6.355908      2.655636
  C      -8.703078      5.784569      1.668184
  C      -8.160370      5.362770      0.468052
  C      -6.777119      5.495037      0.216541
  C      -5.941525      6.027019      1.170992
  C      -6.469437      6.465362      2.412585
  C      -5.952924      2.677038      7.081096
  C      -6.584308      4.071871      7.145189
  C      -8.119092      4.080333      7.100216
  C      -8.741502      3.664895      5.795254
  N      -7.940207      3.393827      4.762718
  C      -8.516582      3.010516      3.597077
  N      -9.802898      2.835987      3.352211
  C     -10.653117      3.109740      4.390637
  C     -12.039904      2.937296      4.198455
  C     -12.915811      3.197925      5.229556
  C     -12.441718      3.648769      6.483330
  C     -11.087409      3.822994      6.698921
  C     -10.163424      3.550218      5.662288
  H      -1.808160      0.652244      2.825267
  H      -3.278388      1.615932      2.626228
  H      -3.327324     -0.649180      4.663859
  H      -3.317238     -1.085844      2.955461
  H      -5.633314     -0.910924      3.972030
  H      -5.368296      0.819458      4.240119
  H      -6.160681      2.944454      0.342410
  H      -6.469369     -0.918109     -2.154388
  H      -6.181712     -3.352203     -1.671246
  H      -5.599213     -4.109757      0.635234
  H      -5.318224     -2.469059      2.461939
  H      -4.664659      5.948274      5.720824
  H      -3.413844      6.668948      6.715619
  H      -2.380872      7.551695      4.474986
  H      -3.857683      8.312215      5.108839
  H      -3.921769      7.870064      2.609265
  H      -3.780945      6.153833      2.923225
  H      -8.051130      7.721666      5.629213
  H      -9.767464      5.688810      1.884534
  H      -8.800831      4.923990     -0.287280
  H      -6.364513      5.165633     -0.736289
  H      -4.871317      6.115131      0.969521
  H      -6.258785      2.096696      7.968955
  H      -6.354722      2.147694      6.208794
  H      -6.251493      4.577281      8.057575
  H      -6.198831      4.668624      6.311059
  H      -8.529800      3.436381      7.900953
  H      -8.485204      5.099149      7.331807
  H      -7.816373      2.801507      2.778435
  H     -12.383301      2.586095      3.218601
  H     -13.981695      3.055474      5.074096
  H     -13.142775      3.848944      7.285694
  H     -10.727679      4.165494      7.670702
  N      -5.074776      3.624941      3.974301
  H      -6.026623      3.629538      4.381303
  H      -5.154552      2.963995      3.177188
  H      -4.971219      4.552955      3.562038
99
Coordinates from ORCA-job orca E -6204.948586899613
  N      -2.352284      1.791441      4.508156
  Mo     -3.415297      3.220416      5.427780
  N      -4.492141      2.718627      6.997768
  C      -3.799539      2.687088      8.288058
  C      -2.360858      2.238083      8.065524
  N      -1.771734      2.974338      6.914052
  C      -0.692226      2.197016      6.246926
  C      -1.302985      1.166799      5.313119
  C      -1.300402      4.336917      7.288525
  C      -1.406063      5.232991      6.054810
  N      -2.752832      5.097388      5.490597
  H      -0.503050      0.764960      4.660055
  H      -1.683692      0.302059      5.896340
  H      -0.099400      2.909441      5.656001
  H      -0.028472      1.732947      6.999592
  H      -1.193606      6.277865      6.339195
  H      -0.639725      4.948100      5.312175
  H      -1.971508      4.721148      8.071421
  H      -0.275795      4.286795      7.703367
  H      -4.286504      1.971740      8.978463
  H      -3.826301      3.674956      8.792536
  H      -2.360899      1.171989      7.796521
  H      -1.739974      2.370555      8.970302
  C      -2.711374      0.990347      3.340815
  C      -3.569234     -0.257748      3.651093
  C      -5.086952      0.018109      3.591585
  C      -5.532500      0.330424      2.190084
  N      -5.661202      1.625343      1.854883
  C      -5.990946      1.917096      0.573427
  N      -6.198094      1.066435     -0.420525
  C      -6.073706     -0.264553     -0.111792
  C      -6.271420     -1.230413     -1.126438
  C      -6.131849     -2.580397     -0.847575
  C      -5.801367     -3.007989      0.454613
  C      -5.610026     -2.084877      1.471319
  C      -5.739563     -0.694676      1.214966
  C      -3.600531      6.272846      5.690289
  C      -3.433824      7.396130      4.653059
  C      -4.145420      7.102834      3.333769
  C      -5.652528      7.011873      3.443741
  N      -6.228849      7.446647      4.570479
  C      -7.569915      7.307410      4.680574
  N      -8.407986      6.766073      3.813191
  C      -7.847947      6.336843      2.636621
  C      -8.675385      5.753334      1.651246
  C      -8.140200      5.332180      0.446213
  C      -6.762337      5.480371      0.187715
  C      -5.922529      6.029638      1.140566
  C      -6.442437      6.463312      2.387940
  C      -5.951797      2.674830      7.080559
  C      -6.601437      4.061370      7.145643
  C      -8.129009      4.040417      7.103319
  C      -8.747348      3.616120      5.795078
  N      -7.948775      3.364792      4.758425
  C      -8.523231      2.986207      3.588532
  N      -9.806190      2.804470      3.342571
  C     -10.654272      3.062064      4.384722
  C     -12.046087      2.904136      4.193018
  C     -12.927657      3.169583      5.227653
  C     -12.450266      3.599870      6.483952
  C     -11.091388      3.758243      6.699705
  C     -10.165402      3.490825      5.660776
  H      -1.777868      0.657554      2.847063
  H      -3.236194      1.629664      2.618520
  H      -3.308336     -0.640458      4.649900
  H      -3.325810     -1.057904      2.933700
  H      -5.631958     -0.859867      3.978872
  H      -5.337162      0.869198      4.247714
  H      -6.092377      2.984151      0.349993
  H      -6.529566     -0.877525     -2.126275
  H      -6.281304     -3.317962     -1.638084
  H      -5.694191     -4.072306      0.661605
  H      -5.360021     -2.428574      2.476013
  H      -4.655125      5.964586      5.697617
  H      -3.409121      6.687044      6.699484
  H      -2.360838      7.559090      4.459699
  H      -3.836967      8.325351      5.081145
  H      -3.894977      7.876106      2.585318
  H      -3.748908      6.161949      2.907307
  H      -8.006405      7.682863      5.615123
  H      -9.735557      5.643249      1.874309
  H      -8.783647      4.877993     -0.308554
  H      -6.354440      5.149050     -0.769694
  H      -4.855982      6.130041      0.932445
  H      -6.253747      2.089132      7.968547
  H      -6.345237      2.142454      6.203155
  H      -6.274263      4.573905      8.062448
  H      -6.230640      4.663657      6.307409
  H      -8.522515      3.391754      7.904113
  H      -8.510370      5.048091      7.337997
  H      -7.826340      2.795954      2.768370
  H     -12.392805      2.573082      3.212351
  H     -14.001088      3.047758      5.072424
  H     -13.157184      3.808067      7.288910
  H     -10.732096      4.094320      7.673234
  N      -5.089746      3.613821      3.993674
  H      -6.042262      3.602085      4.421047
  H      -5.184137      2.962234      3.185481
  H      -4.997592      4.549434      3.579643
99
Coordinates from ORCA-job orca E -6204.947769884002
  N      -2.349550      1.795073      4.504103
  Mo     -3.415399      3.214799      5.428927
  N      -4.499733      2.698167      6.989291
  C      -3.809780      2.680606      8.282773
  C      -2.368078      2.238208      8.068817
  N      -1.781961      2.977179      6.917649
  C      -0.698309      2.205475      6.247260
  C      -1.304405      1.169490      5.315851
  C      -1.314151      4.341522      7.296931
  C      -1.426327      5.243585      6.069887
  N      -2.770848      5.101393      5.508373
  H      -0.500469      0.766398      4.672774
  H      -1.684203      0.306520      5.902000
  H      -0.118640      2.921556      5.653821
  H      -0.027433      1.747001      6.992636
  H      -1.215958      6.287865      6.359716
  H      -0.660282      4.964636      5.327555
  H      -1.981220      4.720062      8.083063
  H      -0.289166      4.293549      7.705519
  H      -4.293037      1.969089      8.975757
  H      -3.844388      3.671054      8.778158
  H      -2.361507      1.171274      7.805683
  H      -1.752034      2.377726      8.973286
  C      -2.691190      1.001890      3.324435
  C      -3.530490     -0.257091      3.607035
  C      -5.043916      0.019572      3.566170
  C      -5.510122      0.307733      2.174875
  N      -5.643495      1.591606      1.828431
  C      -6.007981      1.875020      0.554218
  N      -6.250096      1.027406     -0.422147
  C      -6.112065     -0.302491     -0.103130
  C      -6.337519     -1.274479     -1.100914
  C      -6.192877     -2.623657     -0.809371
  C      -5.837870     -3.036970      0.489970
  C      -5.619696     -2.105265      1.490264
  C      -5.743480     -0.722422      1.219217
  C      -3.621990      6.274063      5.705923
  C      -3.449672      7.406397      4.678017
  C      -4.140019      7.122293      3.348779
  C      -5.641380      7.020956      3.447965
  N      -6.221281      7.454161      4.572709
  C      -7.563669      7.317505      4.677912
  N      -8.400154      6.783297      3.807087
  C      -7.836507      6.350410      2.632161
  C      -8.668671      5.773839      1.642164
  C      -8.132420      5.348911      0.435364
  C      -6.749659      5.488472      0.181238
  C      -5.906016      6.032782      1.141414
  C      -6.426438      6.468022      2.389779
  C      -5.959817      2.660801      7.079427
  C      -6.605234      4.059564      7.164018
  C      -8.129471      4.042915      7.110692
  C      -8.735263      3.638692      5.786887
  N      -7.929088      3.411627      4.739642
  C      -8.493766      3.039193      3.560415
  N      -9.779006      2.857987      3.315886
  C     -10.635425      3.096619      4.365895
  C     -12.029569      2.939503      4.173250
  C     -12.911994      3.163223      5.216708
  C     -12.432654      3.549543      6.481144
  C     -11.075390      3.716960      6.698804
  C     -10.149858      3.497014      5.651401
  H      -1.748848      0.690768      2.823613
  H      -3.228849      1.645951      2.604321
  H      -3.255573     -0.666643      4.592358
  H      -3.293929     -1.031354      2.859316
  H      -5.586808     -0.838726      3.972922
  H      -5.268961      0.878699      4.207322
  H      -6.113775      2.933095      0.317739
  H      -6.619181     -0.929081     -2.098241
  H      -6.360207     -3.370040     -1.588007
  H      -5.729089     -4.101106      0.707495
  H      -5.351654     -2.438216      2.493179
  H      -4.675867      5.965165      5.695869
  H      -3.446877      6.683416      6.721290
  H      -2.382166      7.579472      4.501268
  H      -3.865996      8.330959      5.101117
  H      -3.895699      7.907339      2.611023
  H      -3.730396      6.195082      2.918627
  H      -8.000056      7.680206      5.610835
  H      -9.736698      5.674365      1.864000
  H      -8.781176      4.901539     -0.323826
  H      -6.347148      5.165061     -0.777664
  H      -4.841305      6.135891      0.936000
  H      -6.261315      2.063114      7.966438
  H      -6.359709      2.140295      6.196508
  H      -6.290812      4.557358      8.099830
  H      -6.216029      4.679226      6.335395
  H      -8.527517      3.375732      7.900969
  H      -8.513931      5.050419      7.364798
  H      -7.790907      2.862502      2.731293
  H     -12.376379      2.639488      3.186839
  H     -13.986122      3.040092      5.060269
  H     -13.139683      3.722577      7.293873
  H     -10.716518      4.022685      7.679671
  N      -5.075026      3.625845      3.999836
  H      -6.032595      3.579864      4.412591
  H      -5.134162      2.958505      3.188061
  H      -4.989995      4.564845      3.608628
99
Coordinates from ORCA-job orca E -6204.948914593399
  N      -2.330811      1.801823      4.503075
  Mo     -3.405709      3.219841      5.425844
  N      -4.489882      2.701913      6.985667
  C      -3.804317      2.673387      8.280501
  C      -2.362080      2.233580      8.065967
  N      -1.771489      2.977074      6.919583
  C      -0.684469      2.208878      6.253840
  C      -1.285282      1.178161      5.314478
  C      -1.308281      4.340915      7.302519
  C      -1.412285      5.242813      6.072539
  N      -2.755488      5.102066      5.502706
  H      -0.479590      0.781102      4.667793
  H      -1.665654      0.311311      5.893074
  H      -0.096206      2.927312      5.667475
  H      -0.019946      1.747159      7.005671
  H      -1.205642      6.287585      6.362386
  H      -0.640805      4.964145      5.332703
  H      -1.983949      4.718477      8.084658
  H      -0.285388      4.292944      7.721063
  H      -4.290688      1.954351      8.966579
  H      -3.840416      3.659833      8.785539
  H      -2.354049      1.168307      7.795261
  H      -1.747674      2.368031      8.974110
  C      -2.665184      1.008340      3.322321
  C      -3.516501     -0.247606      3.606149
  C      -5.032341      0.040147      3.593589
  C      -5.514138      0.341960      2.204489
  N      -5.633663      1.631321      1.857785
  C      -6.000480      1.915735      0.583841
  N      -6.253062      1.063490     -0.392752
  C      -6.137800     -0.264895     -0.071919
  C      -6.377749     -1.237168     -1.069362
  C      -6.248477     -2.586952     -0.778950
  C      -5.891637     -3.003913      0.519123
  C      -5.659753     -2.072604      1.519415
  C      -5.770011     -0.686907      1.249429
  C      -3.610034      6.272506      5.700130
  C      -3.442537      7.403193      4.670855
  C      -4.141401      7.118256      3.341621
  C      -5.647036      7.013921      3.437173
  N      -6.235116      7.436714      4.562163
  C      -7.577306      7.292521      4.659106
  N      -8.405637      6.755815      3.780370
  C      -7.833258      6.336250      2.605792
  C      -8.651507      5.755995      1.609738
  C      -8.105612      5.344088      0.405594
  C      -6.725784      5.499179      0.158871
  C      -5.894341      6.045337      1.123081
  C      -6.425061      6.468377      2.370194
  C      -5.950426      2.651621      7.065147
  C      -6.608788      4.036745      7.156045
  C      -8.135607      4.006604      7.109257
  C      -8.745785      3.601461      5.790541
  N      -7.941542      3.374867      4.750239
  C      -8.508788      3.013597      3.570779
  N      -9.791600      2.832577      3.318825
  C     -10.645624      3.066296      4.364237
  C     -12.037116      2.907344      4.165605
  C     -12.922831      3.143754      5.203495
  C     -12.450405      3.546155      6.469857
  C     -11.093021      3.707499      6.692744
  C     -10.162617      3.469585      5.650449
  H      -1.720297      0.687723      2.839017
  H      -3.186957      1.649062      2.595266
  H      -3.228831     -0.670304      4.581417
  H      -3.296268     -1.017699      2.848132
  H      -5.576161     -0.824483      4.004960
  H      -5.248585      0.900223      4.248167
  H      -6.096150      2.980652      0.350681
  H      -6.656389     -0.891647     -2.065929
  H      -6.425598     -3.332931     -1.557771
  H      -5.790707     -4.070362      0.735274
  H      -5.386350     -2.409956      2.520683
  H      -4.662617      5.958991      5.697567
  H      -3.429414      6.682655      6.712958
  H      -2.370139      7.574560      4.487380
  H      -3.854375      8.326611      5.102474
  H      -3.893312      7.902780      2.604628
  H      -3.733219      6.188388      2.907105
  H      -8.021726      7.651274      5.592379
  H      -9.714492      5.641486      1.824635
  H      -8.742909      4.893300     -0.357396
  H      -6.311188      5.177917     -0.798552
  H      -4.827946      6.154017      0.923734
  H      -6.252329      2.046195      7.943048
  H      -6.339524      2.134646      6.176450
  H      -6.291165      4.533135      8.086991
  H      -6.236080      4.660302      6.330142
  H      -8.527778      3.339726      7.898319
  H      -8.524930      5.008934      7.362266
  H      -7.808992      2.844633      2.748762
  H     -12.379800      2.597994      3.177471
  H     -13.995499      3.020976      5.042504
  H     -13.160756      3.732311      7.277724
  H     -10.738177      4.022961      7.674262
  N      -5.073606      3.632574      3.993726
  H      -6.027456      3.603028      4.418892
  H      -5.158043      2.986328      3.175181
  H      -4.985595      4.574003      3.598480
99
Coordinates from ORCA-job orca E -6204.948916368057
  N      -2.323866      1.813598      4.498314
  Mo     -3.404927      3.229012      5.422460
  N      -4.488980      2.707340      6.981564
  C      -3.806532      2.676058      8.277400
  C      -2.363907      2.238883      8.065010
  N      -1.772673      2.985129      6.921060
  C      -0.682940      2.218234      6.258187
  C      -1.279891      1.189836      5.312964
  C      -1.312437      4.348556      7.308530
  C      -1.416239      5.253171      6.083487
  N      -2.756387      5.110831      5.508407
  H      -0.470452      0.795450      4.667171
  H      -1.663071      0.319446      5.888682
  H      -0.090788      2.938003      5.675920
  H      -0.022369      1.754505      7.013674
  H      -1.213501      6.297157      6.378377
  H      -0.643356      4.980518      5.345065
  H      -1.989479      4.722066      8.089636
  H      -0.291195      4.300592      7.729017
  H      -4.293860      1.954376      8.960000
  H      -3.845100      3.661417      8.785017
  H      -2.353040      1.173812      7.792142
  H      -1.750852      2.373144      8.974169
  C      -2.645603      1.027363      3.312158
  C      -3.504922     -0.224710      3.584418
  C      -5.019330      0.076763      3.597407
  C      -5.522596      0.373991      2.215155
  N      -5.624851      1.664560      1.855490
  C      -6.005118      1.939820      0.585027
  N      -6.287520      1.076607     -0.377720
  C      -6.193913     -0.251667     -0.043187
  C      -6.475187     -1.230819     -1.023736
  C      -6.371553     -2.578542     -0.718753
  C      -5.992757     -2.990842      0.576091
  C      -5.717042     -2.054732      1.559296
  C      -5.810792     -0.665165      1.276107
  C      -3.610257      6.282813      5.704566
  C      -3.428810      7.414756      4.677537
  C      -4.114515      7.129766      3.344499
  C      -5.621289      7.027849      3.429858
  N      -6.219368      7.452734      4.549592
  C      -7.562103      7.308861      4.635415
  N      -8.383135      6.773669      3.748953
  C      -7.799574      6.352013      2.580094
  C      -8.609028      5.773443      1.577377
  C      -8.050697      5.358072      0.380759
  C      -6.666512      5.507141      0.149053
  C      -5.844561      6.053713      1.118588
  C      -6.388994      6.481451      2.357743
  C      -5.946741      2.642835      7.056045
  C      -6.616874      4.019160      7.158724
  C      -8.143378      3.973653      7.106765
  C      -8.746289      3.576403      5.782811
  N      -7.936889      3.370583      4.741857
  C      -8.497286      3.013397      3.557936
  N      -9.775926      2.814495      3.301695
  C     -10.635004      3.023566      4.348076
  C     -12.021805      2.838479      4.145256
  C     -12.912302      3.049094      5.183589
  C     -12.449198      3.449924      6.454812
  C     -11.096092      3.634987      6.681670
  C     -10.160893      3.424139      5.638980
  H      -1.696698      0.705907      2.838724
  H      -3.158235      1.668854      2.581267
  H      -3.204783     -0.668689      4.546672
  H      -3.303109     -0.982133      2.808631
  H      -5.565370     -0.779564      4.023434
  H      -5.215126      0.943140      4.250355
  H      -6.075670      3.000074      0.340689
  H      -6.771037     -0.888738     -2.018380
  H      -6.589064     -3.324483     -1.482676
  H      -5.919422     -4.050577      0.805155
  H      -5.432022     -2.385678      2.559049
  H      -4.664891      5.973567      5.694989
  H      -3.434903      6.689696      6.720253
  H      -2.354026      7.582281      4.503180
  H      -3.841067      8.340756      5.104864
  H      -3.856723      7.912942      2.606962
  H      -3.704904      6.196232      2.916023
  H      -8.017664      7.678458      5.565147
  H      -9.674375      5.661702      1.781874
  H      -8.679937      4.906642     -0.386836
  H      -6.239839      5.179404     -0.800867
  H      -4.773616      6.156223      0.930761
  H      -6.245342      2.025846      7.925075
  H      -6.328105      2.132184      6.160170
  H      -6.306015      4.508689      8.094779
  H      -6.250082      4.653800      6.339398
  H      -8.530014      3.295700      7.887541
  H      -8.544174      4.967740      7.368399
  H      -7.790186      2.856024      2.733712
  H     -12.356728      2.529466      3.153174
  H     -13.981263      2.905286      5.019744
  H     -13.162766      3.613800      7.262467
  H     -10.748251      3.946890      7.667031
  N      -5.068418      3.644758      3.998613
  H      -6.017788      3.606613      4.422267
  H      -5.147961      3.003491      3.177654
  H      -4.988920      4.595156      3.613568
99
Coordinates from ORCA-job orca E -6204.949015850977
  N      -2.329229      1.822477      4.481501
  Mo     -3.404339      3.233922      5.414087
  N      -4.485557      2.701586      6.969107
  C      -3.800060      2.662259      8.264425
  C      -2.355274      2.230080      8.045404
  N      -1.770074      2.985558      6.904411
  C      -0.680722      2.226254      6.232459
  C      -1.278469      1.198705      5.287144
  C      -1.312050      4.347499      7.298750
  C      -1.418019      5.257040      6.075108
  N      -2.759418      5.118019      5.500675
  H      -0.469384      0.809972      4.636269
  H      -1.652628      0.325734      5.862039
  H      -0.094750      2.949411      5.649678
  H      -0.014627      1.761365      6.981329
  H      -1.212995      6.299383      6.372422
  H      -0.646691      4.984968      5.334464
  H      -1.988726      4.717647      8.082561
  H      -0.289844      4.300932      7.718217
  H      -4.284108      1.934196      8.943075
  H      -3.840185      3.644243      8.779697
  H      -2.342245      1.166269      7.767173
  H      -1.740546      2.360661      8.954410
  C      -2.658520      1.038918      3.293817
  C      -3.479203     -0.236868      3.565361
  C      -4.998680      0.037019      3.607076
  C      -5.524690      0.331221      2.230574
  N      -5.644268      1.618595      1.872188
  C      -6.032929      1.885719      0.602895
  N      -6.308357      1.018548     -0.358139
  C      -6.200350     -0.307073     -0.023519
  C      -6.475381     -1.290990     -1.001581
  C      -6.358665     -2.636218     -0.694926
  C      -5.969597     -3.041713      0.598443
  C      -5.697645     -2.100814      1.578514
  C      -5.807712     -0.712433      1.293818
  C      -3.618915      6.281252      5.720836
  C      -3.448637      7.433039      4.715512
  C      -4.127994      7.169854      3.373068
  C      -5.635318      7.052071      3.447840
  N      -6.244421      7.464543      4.566514
  C      -7.586607      7.309803      4.642229
  N      -8.398201      6.775699      3.747624
  C      -7.803662      6.366181      2.579783
  C      -8.601654      5.786146      1.569240
  C      -8.031422      5.378534      0.374002
  C      -6.648031      5.540250      0.150141
  C      -5.838205      6.092006      1.127756
  C      -6.392904      6.508397      2.366978
  C      -5.942147      2.628305      7.045177
  C      -6.618748      3.998323      7.175600
  C      -8.143739      3.944787      7.119754
  C      -8.743807      3.572987      5.786523
  N      -7.932431      3.384568      4.746780
  C      -8.491593      3.050734      3.556738
  N      -9.770212      2.864573      3.290107
  C     -10.631276      3.063472      4.333036
  C     -12.020759      2.904740      4.119045
  C     -12.916642      3.115470      5.156042
  C     -12.455143      3.485975      6.436268
  C     -11.098621      3.642153      6.674136
  C     -10.158825      3.434522      5.633152
  H      -1.714672      0.745738      2.794827
  H      -3.201376      1.676526      2.581632
  H      -3.153851     -0.688720      4.515022
  H      -3.274238     -0.976352      2.775185
  H      -5.523880     -0.828377      4.043728
  H      -5.196509      0.901963      4.263877
  H      -6.124979      2.948309      0.358246
  H      -6.777439     -0.954568     -1.994847
  H      -6.571207     -3.387061     -1.456395
  H      -5.883065     -4.101741      0.828320
  H      -5.402898     -2.426716      2.576495
  H      -4.670922      5.965969      5.707290
  H      -3.444859      6.672374      6.742337
  H      -2.375846      7.615113      4.545797
  H      -3.870357      8.347028      5.159367
  H      -3.877692      7.975363      2.659496
  H      -3.706924      6.252659      2.921503
  H      -8.052021      7.669400      5.571078
  H      -9.668180      5.665156      1.766653
  H      -8.652163      4.923816     -0.398996
  H      -6.214012      5.220794     -0.799386
  H      -4.768379      6.205963      0.946004
  H      -6.233267      1.994713      7.902656
  H      -6.326325      2.135295      6.142116
  H      -6.311299      4.469753      8.122425
  H      -6.253213      4.651490      6.372215
  H      -8.524561      3.246227      7.882027
  H      -8.549613      4.927948      7.405890
  H      -7.784181      2.900351      2.735137
  H     -12.355080      2.620608      3.120452
  H     -13.988502      2.996551      4.983518
  H     -13.173512      3.651615      7.243270
  H     -10.752572      3.933067      7.666793
  N      -5.082287      3.664538      3.992223
  H      -6.033305      3.634118      4.430240
  H      -5.170530      3.008996      3.185235
  H      -4.993470      4.603832      3.594886
99
Coordinates from ORCA-job orca E -6204.948951857591
  N      -2.300904      1.827017      4.491355
  Mo     -3.388706      3.233919      5.414684
  N      -4.480705      2.697946      6.962369
  C      -3.807442      2.658465      8.263524
  C      -2.362073      2.229129      8.056047
  N      -1.768519      2.987827      6.920626
  C      -0.670934      2.232138      6.258481
  C      -1.255623      1.206324      5.303822
  C      -1.319215      4.351784      7.319564
  C      -1.409204      5.260694      6.093454
  N      -2.743647      5.120733      5.501463
  H      -0.441816      0.825879      4.658760
  H      -1.630613      0.330190      5.867514
  H      -0.078591      2.958014      5.685318
  H      -0.013357      1.766619      7.014201
  H      -1.209788      6.303872      6.393412
  H      -0.625766      4.989719      5.362185
  H      -2.008873      4.720713      8.094941
  H      -0.302268      4.305523      7.753747
  H      -4.297449      1.929629      8.936340
  H      -3.852672      3.638752      8.779376
  H      -2.345456      1.166771      7.774542
  H      -1.754566      2.358549      8.969819
  C      -2.602741      1.052030      3.290976
  C      -3.433860     -0.222748      3.540864
  C      -4.945707      0.071914      3.620325
  C      -5.503367      0.371445      2.259504
  N      -5.599780      1.657986      1.897085
  C      -6.029094      1.934539      0.639974
  N      -6.366679      1.079254     -0.305511
  C      -6.281535     -0.246388      0.033910
  C      -6.609707     -1.225098     -0.930862
  C      -6.512309     -2.573820     -0.622557
  C      -6.103243     -2.979144      0.662650
  C      -5.785349     -2.038485      1.631363
  C      -5.855335     -0.659464      1.340611
  C      -3.612552      6.279907      5.712919
  C      -3.440067      7.434215      4.710969
  C      -4.109328      7.176404      3.360254
  C      -5.614147      7.048198      3.418350
  N      -6.232797      7.440835      4.536684
  C      -7.574379      7.277464      4.598029
  N      -8.374380      6.744465      3.690363
  C      -7.770692      6.351203      2.523496
  C      -8.558164      5.768213      1.502629
  C      -7.981236      5.377137      0.306733
  C      -6.600503      5.560543      0.092786
  C      -5.798023      6.111019      1.081143
  C      -6.360358      6.509510      2.322767
  C      -5.940226      2.612268      7.023510
  C      -6.632554      3.977514      7.168767
  C      -8.159938      3.910624      7.119729
  C      -8.755143      3.538081      5.785176
  N      -7.940306      3.364071      4.744044
  C      -8.492380      3.033831      3.548105
  N      -9.770294      2.840270      3.280258
  C     -10.635411      3.018764      4.327668
  C     -12.023385      2.841604      4.113031
  C     -12.920770      3.027273      5.151466
  C     -12.463997      3.392382      6.434925
  C     -11.110785      3.568867      6.674020
  C     -10.168327      3.384095      5.630937
  H      -1.647045      0.761054      2.811367
  H      -3.134449      1.690886      2.568005
  H      -3.096090     -0.702033      4.472965
  H      -3.251005     -0.943366      2.727108
  H      -5.474202     -0.781107      4.069876
  H      -5.108898      0.939493      4.282071
  H      -6.115817      3.006819      0.395841
  H      -6.925449     -0.888674     -1.918043
  H      -6.750910     -3.329859     -1.378840
  H      -6.019271     -4.051475      0.891476
  H      -5.463491     -2.369253      2.620789
  H      -4.662679      5.959202      5.693296
  H      -3.445892      6.669321      6.736259
  H      -2.366126      7.619866      4.550085
  H      -3.866320      8.343949      5.158718
  H      -3.856347      7.987430      2.653927
  H      -3.681198      6.264965      2.906296
  H      -8.042766      7.606284      5.525934
  H      -9.621947      5.632764      1.693231
  H      -8.595871      4.921318     -0.473784
  H      -6.161992      5.258012     -0.858602
  H      -4.731380      6.242337      0.906987
  H      -6.239881      1.958455      7.869234
  H      -6.306977      2.130273      6.106356
  H      -6.329532      4.443294      8.119446
  H      -6.275121      4.642889      6.367459
  H      -8.538475      3.205570      7.885071
  H      -8.575460      4.895444      7.408106
  H      -7.788047      2.913756      2.728076
  H     -12.353831      2.563012      3.112271
  H     -13.990926      2.893124      4.977731
  H     -13.183622      3.539281      7.243402
  H     -10.769111      3.855236      7.669087
  N      -5.056139      3.672450      3.981629
  H      -6.006202      3.642371      4.412097
  H      -5.151693      3.032984      3.158715
  H      -4.961841      4.615161      3.592840
99
Coordinates from ORCA-job orca E -6204.949368695301
  N      -2.308858      1.832168      4.484757
  Mo     -3.394931      3.238156      5.413172
  N      -4.481008      2.699344      6.964176
  C      -3.804040      2.658738      8.263209
  C      -2.358930      2.230015      8.050807
  N      -1.769826      2.990266      6.914111
  C      -0.673547      2.235844      6.248488
  C      -1.261186      1.210051      5.295231
  C      -1.320211      4.354067      7.313831
  C      -1.416766      5.265206      6.090476
  N      -2.753105      5.124336      5.504953
  H      -0.447829      0.828513      4.648177
  H      -1.636346      0.333291      5.862269
  H      -0.084153      2.962499      5.673421
  H      -0.012953      1.770431      7.001615
  H      -1.216378      6.308052      6.391100
  H      -0.637271      4.996236      5.355848
  H      -2.007060      4.720715      8.091603
  H      -0.301755      4.308815      7.743914
  H      -4.291646      1.929163      8.937270
  H      -3.847847      3.638790      8.779678
  H      -2.342359      1.167566      7.769317
  H      -1.748543      2.359719      8.962313
  C      -2.614124      1.059660      3.284371
  C      -3.440214     -0.218268      3.534857
  C      -4.956940      0.063396      3.610736
  C      -5.514033      0.356622      2.248700
  N      -5.617623      1.642877      1.883241
  C      -6.043913      1.913075      0.624774
  N      -6.369749      1.050421     -0.320011
  C      -6.278341     -0.274803      0.022632
  C      -6.599493     -1.258063     -0.939708
  C      -6.497092     -2.605537     -0.626906
  C      -6.084669     -3.008137      0.658868
  C      -5.769318     -2.065536      1.624094
  C      -5.852616     -0.682489      1.330795
  C      -3.620174      6.282909      5.723209
  C      -3.446684      7.438898      4.722912
  C      -4.110280      7.178934      3.371075
  C      -5.615875      7.052148      3.425945
  N      -6.241214      7.455262      4.539639
  C      -7.584954      7.299021      4.595207
  N      -8.381627      6.766652      3.685589
  C      -7.769984      6.363278      2.523683
  C      -8.552295      5.783009      1.500494
  C      -7.967099      5.387729      0.310029
  C      -6.582616      5.560980      0.104237
  C      -5.785901      6.108316      1.094727
  C      -6.356703      6.512584      2.330203
  C      -5.938904      2.610219      7.029512
  C      -6.631225      3.973706      7.181525
  C      -8.157307      3.904893      7.129203
  C      -8.753009      3.546034      5.791373
  N      -7.937726      3.379391      4.748409
  C      -8.490726      3.058287      3.550497
  N      -9.768095      2.865514      3.280942
  C     -10.633391      3.036960      4.329304
  C     -12.019950      2.859806      4.112515
  C     -12.916939      3.036716      5.152225
  C     -12.461426      3.394818      6.439121
  C     -11.109062      3.570641      6.680283
  C     -10.166625      3.393773      5.635831
  H      -1.659567      0.772616      2.799087
  H      -3.149264      1.699453      2.566326
  H      -3.101740     -0.694313      4.468291
  H      -3.250274     -0.939722      2.722628
  H      -5.478844     -0.796313      4.060250
  H      -5.132061      0.930860      4.271709
  H      -6.118705      2.973361      0.374241
  H      -6.919444     -0.922817     -1.927333
  H      -6.738922     -3.359853     -1.378676
  H      -6.007754     -4.071660      0.893431
  H      -5.449882     -2.391105      2.614941
  H      -4.670794      5.963005      5.703391
  H      -3.452469      6.670243      6.747461
  H      -2.372962      7.626384      4.564221
  H      -3.875322      8.347822      5.168251
  H      -3.853958      7.989349      2.663740
  H      -3.681079      6.266746      2.920385
  H      -8.061253      7.642805      5.519662
  H      -9.619178      5.654735      1.684773
  H      -8.576775      4.934758     -0.472291
  H      -6.136266      5.251829     -0.842636
  H      -4.715724      6.231122      0.926921
  H      -6.233652      1.954673      7.873779
  H      -6.309107      2.130306      6.112575
  H      -6.328744      4.433974      8.135458
  H      -6.273590      4.643507      6.384769
  H      -8.532263      3.191668      7.884288
  H      -8.574160      4.882415      7.428696
  H      -7.783293      2.937042      2.727272
  H     -12.349363      2.585796      3.108709
  H     -13.985573      2.901502      4.976974
  H     -13.180819      3.534436      7.248330
  H     -10.767662      3.849931      7.678060
  N      -5.060169      3.676025      3.985652
  H      -6.009176      3.644415      4.418804
  H      -5.148404      3.031277      3.166816
  H      -4.970362      4.620264      3.596299
99
Coordinates from ORCA-job orca E -6204.949349763100
  N      -2.303736      1.839374      4.485638
  Mo     -3.393647      3.241205      5.416921
  N      -4.479698      2.695333      6.963904
  C      -3.805637      2.656576      8.264004
  C      -2.358062      2.231394      8.053551
  N      -1.769474      2.993875      6.918426
  C      -0.670494      2.242198      6.253344
  C      -1.255499      1.217436      5.296825
  C      -1.324457      4.358355      7.320008
  C      -1.424488      5.273233      6.101062
  N      -2.758681      5.128679      5.511583
  H      -0.439521      0.839625      4.650321
  H      -1.630355      0.337586      5.861498
  H      -0.080992      2.970751      5.680504
  H      -0.010232      1.775786      7.006723
  H      -1.228565      6.315216      6.407376
  H      -0.643131      5.012709      5.367135
  H      -2.010478      4.720883      8.097687
  H      -0.306819      4.317349      7.748251
  H      -4.292632      1.926313      8.937563
  H      -3.852869      3.636899      8.780076
  H      -2.338088      1.168944      7.771326
  H      -1.749453      2.362286      8.966444
  C      -2.601196      1.076315      3.279184
  C      -3.420106     -0.206842      3.517500
  C      -4.933622      0.075082      3.610316
  C      -5.505268      0.367671      2.255088
  N      -5.600333      1.655467      1.888319
  C      -6.030469      1.921003      0.632600
  N      -6.372460      1.054046     -0.307886
  C      -6.293079     -0.271677      0.036739
  C      -6.642059     -1.253784     -0.918366
  C      -6.556938     -2.599298     -0.601827
  C      -6.122463     -3.007424      0.677781
  C      -5.776869     -2.066911      1.635171
  C      -5.858121     -0.676862      1.341391
  C      -3.630288      6.285377      5.726241
  C      -3.453349      7.441435      4.725593
  C      -4.106517      7.176567      3.370531
  C      -5.613002      7.042719      3.416866
  N      -6.242277      7.432661      4.528708
  C      -7.584495      7.268956      4.576323
  N      -8.378995      6.746236      3.658900
  C      -7.763746      6.355884      2.499603
  C      -8.543646      5.783806      1.470242
  C      -7.951057      5.390418      0.282196
  C      -6.562656      5.560094      0.084787
  C      -5.770402      6.105048      1.081348
  C      -6.348498      6.506485      2.315280
  C      -5.935146      2.597462      7.024206
  C      -6.631033      3.954766      7.191978
  C      -8.155932      3.880740      7.136628
  C      -8.749548      3.533932      5.793047
  N      -7.935452      3.382219      4.748154
  C      -8.491004      3.078615      3.547810
  N      -9.767864      2.888070      3.275674
  C     -10.631200      3.044520      4.325090
  C     -12.018804      2.873943      4.106366
  C     -12.915570      3.040547      5.147935
  C     -12.457512      3.377214      6.438115
  C     -11.103859      3.545584      6.681205
  C     -10.162774      3.382732      5.635274
  H      -1.644896      0.802159      2.790298
  H      -3.142648      1.716001      2.568014
  H      -3.073866     -0.695046      4.442120
  H      -3.236484     -0.915529      2.694292
  H      -5.450549     -0.780766      4.065602
  H      -5.097551      0.941564      4.271578
  H      -6.105271      2.988329      0.382189
  H      -6.975699     -0.916033     -1.902040
  H      -6.828048     -3.347928     -1.345536
  H      -6.059172     -4.068781      0.915121
  H      -5.443989     -2.393453      2.622164
  H      -4.680152      5.962602      5.700585
  H      -3.469803      6.675116      6.751219
  H      -2.378797      7.632717      4.571794
  H      -3.886612      8.350764      5.166393
  H      -3.848849      7.989885      2.666582
  H      -3.671041      6.265965      2.920949
  H      -8.066313      7.609108      5.500337
  H      -9.612600      5.655316      1.648378
  H      -8.557145      4.938557     -0.504734
  H      -6.109509      5.250667     -0.861096
  H      -4.696404      6.224242      0.919151
  H      -6.228235      1.930380      7.857630
  H      -6.301531      2.128612      6.100646
  H      -6.329643      4.403358      8.151585
  H      -6.275391      4.633990      6.404576
  H      -8.528512      3.157629      7.884119
  H      -8.575800      4.853874      7.446724
  H      -7.782184      2.962690      2.720704
  H     -12.349908      2.616079      3.099871
  H     -13.985549      2.912449      4.971623
  H     -13.176153      3.506300      7.248261
  H     -10.760482      3.808396      7.681735
  N      -5.066342      3.673691      3.996202
  H      -6.012075      3.636580      4.428192
  H      -5.148183      3.019835      3.183536
  H      -4.983042      4.618083      3.606078
99
Coordinates from ORCA-job orca E -6204.949604778049
  N      -2.299653      1.851439      4.474348
  Mo     -3.392489      3.249376      5.409033
  N      -4.475542      2.696961      6.956989
  C      -3.801921      2.654125      8.256747
  C      -2.354690      2.231811      8.044359
  N      -1.769216      2.999598      6.911383
  C      -0.668561      2.253094      6.243587
  C      -1.250549      1.229569      5.283224
  C      -1.328187      4.363680      7.319082
  C      -1.427775      5.281376      6.102744
  N      -2.760309      5.137017      5.510589
  H      -0.433798      0.854925      4.635020
  H      -1.623190      0.347884      5.845618
  H      -0.080320      2.984939      5.672882
  H      -0.007221      1.785604      6.995918
  H      -1.233600      6.323044      6.411803
  H      -0.644939      5.023103      5.368809
  H      -2.018250      4.722033      8.096286
  H      -0.311421      4.321921      7.751112
  H      -4.288414      1.921207      8.927290
  H      -3.850097      3.632369      8.776494
  H      -2.332729      1.170304      7.758531
  H      -1.744738      2.360831      8.956608
  C      -2.594122      1.095481      3.263036
  C      -3.400856     -0.197804      3.493580
  C      -4.915432      0.071146      3.616250
  C      -5.517755      0.364766      2.273176
  N      -5.619056      1.651623      1.904297
  C      -6.078347      1.918483      0.657212
  N      -6.440756      1.052283     -0.272991
  C      -6.354756     -0.273440      0.074327
  C      -6.717516     -1.258960     -0.872059
  C      -6.626060     -2.604580     -0.553153
  C      -6.175700     -3.006395      0.720910
  C      -5.815203     -2.062618      1.669405
  C      -5.895139     -0.677233      1.371698
  C      -3.637128      6.288506      5.734533
  C      -3.453441      7.455985      4.749124
  C      -4.090172      7.202577      3.385289
  C      -5.597081      7.070598      3.413469
  N      -6.243539      7.467553      4.516492
  C      -7.585862      7.303807      4.547143
  N      -8.363277      6.771696      3.621211
  C      -7.729348      6.370987      2.470865
  C      -8.490110      5.785527      1.433660
  C      -7.879712      5.388865      0.254143
  C      -6.492717      5.569074      0.074281
  C      -5.718565      6.124426      1.079019
  C      -6.314439      6.527719      2.304043
  C      -5.929663      2.582921      7.016573
  C      -6.641527      3.931221      7.200823
  C      -8.165868      3.842084      7.142181
  C      -8.755344      3.515574      5.792879
  N      -7.938003      3.387712      4.747147
  C      -8.488198      3.097605      3.540653
  N      -9.762566      2.902098      3.263066
  C     -10.629789      3.033740      4.313736
  C     -12.014891      2.854202      4.089112
  C     -12.915315      2.996768      5.132145
  C     -12.462791      3.316650      6.429224
  C     -11.111125      3.491924      6.677721
  C     -10.166774      3.354600      5.630489
  H      -1.638413      0.834202      2.768038
  H      -3.143861      1.735391      2.558570
  H      -3.037808     -0.699688      4.404361
  H      -3.223206     -0.891933      2.657557
  H      -5.415926     -0.790812      4.080385
  H      -5.074144      0.934090      4.284565
  H      -6.153281      2.982066      0.403773
  H      -7.064076     -0.924852     -1.851510
  H      -6.904533     -3.358273     -1.291527
  H      -6.107801     -4.068042      0.960243
  H      -5.465734     -2.385893      2.650893
  H      -4.686851      5.964781      5.696788
  H      -3.484412      6.664696      6.766174
  H      -2.378079      7.649938      4.609758
  H      -3.892744      8.361817      5.193907
  H      -3.823612      8.021994      2.691525
  H      -3.650364      6.293558      2.934278
  H      -8.083107      7.653523      5.463203
  H      -9.558795      5.650235      1.599014
  H      -8.471334      4.926864     -0.538111
  H      -6.026745      5.261853     -0.864046
  H      -4.645914      6.252641      0.930787
  H      -6.215350      1.902740      7.842883
  H      -6.290566      2.120436      6.086748
  H      -6.347977      4.369940      8.167584
  H      -6.291681      4.625897      6.422064
  H      -8.530089      3.100137      7.874433
  H      -8.596978      4.803049      7.472299
  H      -7.777420      3.001746      2.713476
  H     -12.341378      2.609465      3.077283
  H     -13.983880      2.862634      4.951455
  H     -13.184433      3.428052      7.240978
  H     -10.772471      3.741532      7.683968
  N      -5.062777      3.690778      3.991996
  H      -6.008399      3.654421      4.429208
  H      -5.144820      3.035186      3.182695
  H      -4.978533      4.634668      3.600261
99
Coordinates from ORCA-job orca E -6204.949666184463
  N      -2.295780      1.861783      4.476438
  Mo     -3.392121      3.253279      5.407780
  N      -4.468829      2.697959      6.958201
  C      -3.793833      2.651552      8.256741
  C      -2.346999      2.234106      8.039092
  N      -1.766938      3.006802      6.905399
  C      -0.663968      2.266185      6.236447
  C      -1.243322      1.240000      5.278920
  C      -1.332994      4.373816      7.313183
  C      -1.431341      5.290552      6.094746
  N      -2.762292      5.142501      5.502426
  H      -0.427502      0.867107      4.628138
  H      -1.610546      0.357176      5.840884
  H      -0.080677      3.000499      5.666473
  H      -0.000025      1.802495      6.986382
  H      -1.239375      6.332892      6.402260
  H      -0.646963      5.033131      5.362296
  H      -2.029246      4.730589      8.086521
  H      -0.318070      4.336967      7.750511
  H      -4.277510      1.914734      8.925368
  H      -3.842215      3.626746      8.780807
  H      -2.323411      1.174202      7.750556
  H      -1.734860      2.362573      8.948524
  C      -2.581535      1.114625      3.256133
  C      -3.367749     -0.193772      3.474929
  C      -4.886744      0.048061      3.623529
  C      -5.512399      0.346827      2.293274
  N      -5.616352      1.634810      1.931731
  C      -6.101231      1.908477      0.695047
  N      -6.485450      1.049958     -0.231285
  C      -6.399087     -0.275617      0.110164
  C      -6.781928     -1.254094     -0.832757
  C      -6.685193     -2.603146     -0.521421
  C      -6.214705     -3.010075      0.742804
  C      -5.835076     -2.071175      1.687660
  C      -5.912829     -0.688640      1.395797
  C      -3.647436      6.282933      5.742383
  C      -3.473310      7.462440      4.771027
  C      -4.091380      7.217238      3.394968
  C      -5.593354      7.060642      3.401262
  N      -6.258418      7.439509      4.500079
  C      -7.603139      7.271802      4.507028
  N      -8.364358      6.747852      3.562676
  C      -7.710029      6.361338      2.418489
  C      -8.453632      5.785227      1.365374
  C      -7.825039      5.411913      0.191759
  C      -6.434101      5.601943      0.032925
  C      -5.675301      6.145098      1.053688
  C      -6.290902      6.526631      2.274195
  C      -5.924360      2.568925      7.014024
  C      -6.651896      3.905290      7.230526
  C      -8.175862      3.799456      7.171325
  C      -8.761191      3.502371      5.814417
  N      -7.937259      3.394328      4.768198
  C      -8.481707      3.132147      3.551286
  N      -9.758114      2.951128      3.264745
  C     -10.631304      3.060432      4.317032
  C     -12.015389      2.887403      4.082463
  C     -12.918361      3.002249      5.124210
  C     -12.472438      3.293224      6.431654
  C     -11.123028      3.463630      6.690768
  C     -10.173667      3.348475      5.643574
  H      -1.622656      0.872128      2.755967
  H      -3.144367      1.754179      2.557057
  H      -2.985937     -0.703293      4.373652
  H      -3.186666     -0.872871      2.624926
  H      -5.366682     -0.831748      4.087115
  H      -5.051407      0.904184      4.307152
  H      -6.166270      2.965059      0.443945
  H      -7.143832     -0.914874     -1.804591
  H      -6.975125     -3.354704     -1.258738
  H      -6.143137     -4.074131      0.976541
  H      -5.465425     -2.397993      2.659929
  H      -4.693724      5.949162      5.702242
  H      -3.496191      6.647406      6.777384
  H      -2.399889      7.672443      4.643600
  H      -3.927879      8.354240      5.223320
  H      -3.830777      8.048940      2.713861
  H      -3.632829      6.324878      2.938822
  H      -8.111912      7.593599      5.418765
  H      -9.527194      5.646187      1.514521
  H      -8.405722      4.962664     -0.612723
  H      -5.953446      5.314559     -0.901088
  H      -4.601675      6.283986      0.921087
  H      -6.207179      1.864802      7.823018
  H      -6.277914      2.125651      6.072817
  H      -6.362190      4.323332      8.206671
  H      -6.311018      4.621935      6.467967
  H      -8.532268      3.034819      7.884191
  H      -8.618566      4.746671      7.525210
  H      -7.771208      3.064697      2.726379
  H     -12.337236      2.666241      3.063021
  H     -13.984316      2.870893      4.934613
  H     -13.196645      3.384530      7.242363
  H     -10.788642      3.689567      7.704533
  N      -5.063883      3.693802      3.992768
  H      -6.005181      3.671347      4.441286
  H      -5.165957      3.033214      3.187558
  H      -4.974033      4.629207      3.580210
99
Coordinates from ORCA-job orca E -6204.949943078474
  N      -2.280700      1.879023      4.467967
  Mo     -3.386892      3.259920      5.408661
  N      -4.467394      2.683852      6.950659
  C      -3.799393      2.636266      8.252565
  C      -2.348638      2.226485      8.040026
  N      -1.767210      3.009043      6.913967
  C      -0.658510      2.278879      6.242979
  C      -1.230871      1.256513      5.275848
  C      -1.343055      4.375694      7.333061
  C      -1.442358      5.301936      6.121048
  N      -2.770322      5.151542      5.519853
  H      -0.410562      0.890990      4.628705
  H      -1.599973      0.369895      5.830848
  H      -0.077465      3.020071      5.678277
  H       0.006786      1.812586      6.991166
  H      -1.257108      6.342621      6.439011
  H      -0.651138      5.055866      5.390502
  H      -2.044888      4.722554      8.106133
  H      -0.328821      4.342870      7.773661
  H      -4.283954      1.895843      8.916714
  H      -3.854143      3.609908      8.779729
  H      -2.318250      1.167941      7.745938
  H      -1.741521      2.353513      8.954241
  C      -2.549116      1.145598      3.235543
  C      -3.328179     -0.170632      3.431229
  C      -4.843562      0.063550      3.611288
  C      -5.503369      0.358617      2.297941
  N      -5.609015      1.645095      1.933362
  C      -6.123052      1.916963      0.708573
  N      -6.535616      1.057404     -0.203284
  C      -6.448198     -0.268210      0.141443
  C      -6.860140     -1.248249     -0.787333
  C      -6.765912     -2.596812     -0.472120
  C      -6.265849     -3.002560      0.780659
  C      -5.855164     -2.062150      1.710991
  C      -5.933017     -0.678383      1.416106
  C      -3.664238      6.288204      5.750168
  C      -3.486191      7.468742      4.780314
  C      -4.084463      7.216590      3.396746
  C      -5.588449      7.059213      3.381097
  N      -6.273465      7.440028      4.468210
  C      -7.617083      7.270742      4.452560
  N      -8.359142      6.742747      3.495952
  C      -7.685064      6.353706      2.363919
  C      -8.405995      5.768357      1.300028
  C      -7.754285      5.391000      0.137389
  C      -6.364161      5.587499      0.001415
  C      -5.627906      6.139229      1.033821
  C      -6.265768      6.522957      2.243559
  C      -5.920328      2.537946      6.998365
  C      -6.656801      3.864960      7.244983
  C      -8.179736      3.750994      7.186847
  C      -8.768409      3.486218      5.824785
  N      -7.950947      3.409366      4.773557
  C      -8.501573      3.179514      3.553365
  N      -9.777180      3.001113      3.267017
  C     -10.644785      3.079074      4.324788
  C     -12.030228      2.911953      4.092475
  C     -12.928813      3.001283      5.141980
  C     -12.475541      3.256829      6.453852
  C     -11.124074      3.419273      6.710397
  C     -10.180442      3.332904      5.655973
  H      -1.583050      0.919263      2.737772
  H      -3.113395      1.789859      2.544313
  H      -2.933518     -0.701379      4.312006
  H      -3.157556     -0.828044      2.562711
  H      -5.308300     -0.813651      4.084597
  H      -4.993215      0.916010      4.297015
  H      -6.192969      2.976776      0.455901
  H      -7.243830     -0.909536     -1.751005
  H      -7.080504     -3.348915     -1.197887
  H      -6.197448     -4.065683      1.017464
  H      -5.461341     -2.387721      2.673864
  H      -4.707678      5.948748      5.698338
  H      -3.526634      6.655570      6.786810
  H      -2.412856      7.686871      4.665732
  H      -3.951728      8.358858      5.225100
  H      -3.813608      8.048640      2.719066
  H      -3.618484      6.322395      2.947976
  H      -8.143070      7.596838      5.355660
  H      -9.477393      5.620138      1.432207
  H      -8.315338      4.929902     -0.675151
  H      -5.863255      5.292098     -0.925067
  H      -4.552907      6.279296      0.919283
  H      -6.198663      1.813236      7.791405
  H      -6.268572      2.111899      6.046793
  H      -6.368360      4.261818      8.231272
  H      -6.319497      4.600777      6.498204
  H      -8.527146      2.964071      7.879386
  H      -8.626919      4.684954      7.569756
  H      -7.794285      3.134331      2.722683
  H     -12.357624      2.718558      3.069304
  H     -13.996828      2.877191      4.954958
  H     -13.196368      3.327868      7.270765
  H     -10.784236      3.617906      7.728284
  N      -5.066459      3.704944      3.995378
  H      -6.008968      3.674128      4.437190
  H      -5.150074      3.045876      3.183017
  H      -4.979328      4.643844      3.594500
99
Coordinates from ORCA-job orca E -6204.949982184601
  N      -2.256469      1.896854      4.472196
  Mo     -3.384895      3.255311      5.416304
  N      -4.464269      2.660035      6.951321
  C      -3.800179      2.615132      8.255500
  C      -2.343499      2.224736      8.046763
  N      -1.767611      3.018857      6.925907
  C      -0.647635      2.304605      6.255807
  C      -1.202802      1.280585      5.279672
  C      -1.362667      4.389629      7.351177
  C      -1.470869      5.320402      6.143297
  N      -2.793325      5.153116      5.535219
  H      -0.375033      0.928714      4.634077
  H      -1.564397      0.386291      5.827182
  H      -0.073290      3.055683      5.697361
  H       0.020374      1.842456      7.004423
  H      -1.302072      6.362283      6.466827
  H      -0.673811      5.089265      5.415319
  H      -2.070795      4.723544      8.123143
  H      -0.349808      4.369246      7.794197
  H      -4.277511      1.866366      8.915131
  H      -3.868562      3.585723      8.786446
  H      -2.298810      1.167976      7.748479
  H      -1.741641      2.355451      8.963590
  C      -2.514103      1.177010      3.230710
  C      -3.255008     -0.162801      3.405259
  C      -4.769238      0.030071      3.633479
  C      -5.474116      0.370516      2.354281
  N      -5.610249      1.671365      2.051373
  C      -6.181304      1.989927      0.864124
  N      -6.631953      1.163688     -0.061760
  C      -6.517181     -0.174970      0.221101
  C      -6.979392     -1.118911     -0.722131
  C      -6.865856     -2.477988     -0.467855
  C      -6.290752     -2.932667      0.735231
  C      -5.830723     -2.029066      1.679244
  C      -5.932202     -0.633501      1.448036
  C      -3.702593      6.278719      5.750740
  C      -3.522604      7.454426      4.776875
  C      -4.085618      7.177487      3.382909
  C      -5.586909      7.003214      3.334254
  N      -6.296795      7.381460      4.404422
  C      -7.637982      7.201370      4.360106
  N      -8.357361      6.671457      3.387091
  C      -7.657735      6.282187      2.272738
  C      -8.354980      5.694338      1.193503
  C      -7.677174      5.313185      0.047618
  C      -6.283722      5.508416     -0.056391
  C      -5.570258      6.063779      0.992293
  C      -6.236100      6.454318      2.184943
  C      -5.916302      2.509826      6.994443
  C      -6.654663      3.832511      7.252956
  C      -8.177218      3.719387      7.195529
  C      -8.772575      3.479225      5.831005
  N      -7.962039      3.410631      4.774055
  C      -8.522110      3.203396      3.554460
  N      -9.801044      3.043706      3.273085
  C     -10.661356      3.113437      4.336811
  C     -12.049686      2.962664      4.111328
  C     -12.940279      3.038850      5.168493
  C     -12.476042      3.265422      6.481168
  C     -11.121879      3.413631      6.730638
  C     -10.186422      3.339636      5.668536
  H      -1.547479      0.986395      2.722703
  H      -3.100248      1.820387      2.557065
  H      -2.824467     -0.713026      4.256845
  H      -3.092693     -0.787521      2.512234
  H      -5.202105     -0.876310      4.081060
  H      -4.915828      0.847908      4.359635
  H      -6.274939      3.061509      0.661675
  H      -7.421376     -0.743067     -1.645946
  H      -7.223302     -3.200978     -1.203379
  H      -6.206993     -4.004463      0.924081
  H      -5.383494     -2.392131      2.604873
  H      -4.741456      5.926457      5.684650
  H      -3.584186      6.652104      6.787233
  H      -2.450131      7.690128      4.685302
  H      -4.014677      8.340716      5.203096
  H      -3.810175      8.002634      2.700938
  H      -3.597852      6.283075      2.957269
  H      -8.185773      7.529658      5.250303
  H      -9.429914      5.545452      1.301103
  H      -8.220203      4.850724     -0.777795
  H      -5.763847      5.209407     -0.969273
  H      -4.492649      6.204134      0.901709
  H      -6.193899      1.777430      7.779582
  H      -6.261279      2.092300      6.038284
  H      -6.366267      4.219877      8.242840
  H      -6.317164      4.575645      6.514454
  H      -8.523468      2.920701      7.876527
  H      -8.622674      4.647379      7.595539
  H      -7.819835      3.164867      2.717514
  H     -12.385591      2.790268      3.087739
  H     -14.010486      2.925398      4.987185
  H     -13.190364      3.325176      7.304131
  H     -10.773472      3.590145      7.749013
  N      -5.065795      3.677435      4.000260
  H      -6.007579      3.679706      4.445369
  H      -5.162838      2.990981      3.215316
  H      -4.965443      4.600104      3.565951
99
Coordinates from ORCA-job orca E -6204.950254225299
  N      -2.257638      1.928359      4.463882
  Mo     -3.396485      3.261299      5.432117
  N      -4.471893      2.639797      6.959137
  C      -3.807724      2.589076      8.263343
  C      -2.348111      2.209460      8.051570
  N      -1.775378      3.015769      6.937951
  C      -0.654055      2.311713      6.258393
  C      -1.204403      1.301622      5.264447
  C      -1.374054      4.383197      7.375723
  C      -1.493427      5.328343      6.181620
  N      -2.816219      5.160133      5.575435
  H      -0.373340      0.962401      4.616117
  H      -1.566724      0.397823      5.796323
  H      -0.081010      3.072186      5.710761
  H       0.015306      1.840003      7.000910
  H      -1.330620      6.367096      6.518740
  H      -0.698602      5.112153      5.448601
  H      -2.077972      4.704185      8.154463
  H      -0.359519      4.363902      7.811663
  H      -4.279423      1.832221      8.917084
  H      -3.882260      3.554888      8.802179
  H      -2.297817      1.155631      7.743726
  H      -1.747714      2.334668      8.969992
  C      -2.499124      1.236221      3.204535
  C      -3.189307     -0.134004      3.343760
  C      -4.711393     -0.020296      3.559281
  C      -5.432925      0.286631      2.279793
  N      -5.624096      1.580773      1.972187
  C      -6.225903      1.870063      0.794960
  N      -6.674381      1.018003     -0.111772
  C      -6.508632     -0.314942      0.177050
  C      -6.986311     -1.282183     -0.736527
  C      -6.832890     -2.633173     -0.471858
  C      -6.189940     -3.061557      0.707381
  C      -5.714337     -2.136218      1.623345
  C      -5.868937     -0.741846      1.386806
  C      -3.722922      6.286783      5.786240
  C      -3.535338      7.456106      4.808182
  C      -4.093411      7.169059      3.415396
  C      -5.597842      7.022503      3.362423
  N      -6.299383      7.412221      4.429716
  C      -7.642880      7.262538      4.378993
  N      -8.374968      6.766295      3.396924
  C      -7.683869      6.363053      2.287139
  C      -8.395289      5.806875      1.198223
  C      -7.721965      5.401739      0.057251
  C      -6.320199      5.541871     -0.031321
  C      -5.595256      6.069346      1.026775
  C      -6.256921      6.487351      2.211890
  C      -5.922677      2.495714      7.001033
  C      -6.648892      3.822936      7.257464
  C      -8.171253      3.729985      7.196296
  C      -8.770446      3.495044      5.830745
  N      -7.964872      3.386398      4.775184
  C      -8.533605      3.177035      3.561252
  N      -9.816256      3.056655      3.282800
  C     -10.671257      3.169700      4.344396
  C     -12.064102      3.061372      4.123853
  C     -12.949514      3.172486      5.182563
  C     -12.474784      3.392430      6.490823
  C     -11.116138      3.503159      6.734473
  C     -10.186928      3.393990      5.671608
  H      -1.529085      1.089018      2.694328
  H      -3.101812      1.883068      2.550720
  H      -2.740883     -0.685381      4.185462
  H      -2.995461     -0.730721      2.440023
  H      -5.097019     -0.949371      3.997798
  H      -4.901846      0.781365      4.288325
  H      -6.364953      2.943548      0.589445
  H      -7.481074     -0.927729     -1.641646
  H      -7.210468     -3.371442     -1.180700
  H      -6.073576     -4.128584      0.904029
  H      -5.223247     -2.479044      2.535048
  H      -4.762772      5.935832      5.717298
  H      -3.606351      6.664733      6.820907
  H      -2.460464      7.689900      4.723316
  H      -4.032422      8.347140      5.224694
  H      -3.803959      7.978629      2.724653
  H      -3.615393      6.260351      3.004684
  H      -8.186153      7.607214      5.269044
  H      -9.476667      5.694332      1.295412
  H      -8.274255      4.961054     -0.777374
  H      -5.805029      5.218605     -0.935868
  H      -4.511043      6.167369      0.946707
  H      -6.204640      1.766042      7.784492
  H      -6.267790      2.080714      6.044359
  H      -6.358155      4.207977      8.247544
  H      -6.300135      4.560886      6.521081
  H      -8.530092      2.937037      7.880264
  H      -8.603724      4.666229      7.592984
  H      -7.832014      3.096010      2.722022
  H     -12.408040      2.890282      3.104118
  H     -14.023767      3.088611      5.006228
  H     -13.184447      3.477084      7.314697
  H     -10.759628      3.676000      7.749128
  N      -5.087368      3.680160      4.030681
  H      -6.027341      3.711678      4.477302
  H      -5.196676      2.974804      3.267927
  H      -4.977073      4.592777      3.576550
99
Coordinates from ORCA-job orca E -6204.950437191924
  N      -2.277375      1.958726      4.441836
  Mo     -3.419703      3.268610      5.431281
  N      -4.475050      2.623751      6.962313
  C      -3.795928      2.549174      8.257445
  C      -2.336251      2.186731      8.022566
  N      -1.783985      3.020453      6.918503
  C      -0.659220      2.342115      6.219686
  C      -1.206897      1.335838      5.220577
  C      -1.398892      4.386345      7.376075
  C      -1.530854      5.346030      6.194160
  N      -2.851735      5.169710      5.586577
  H      -0.379659      1.013806      4.557970
  H      -1.550025      0.421738      5.746367
  H      -0.101687      3.116800      5.676495
  H       0.022809      1.870883      6.949981
  H      -1.379874      6.382370      6.543398
  H      -0.734045      5.147906      5.457060
  H      -2.107055      4.687390      8.160608
  H      -0.383241      4.371979      7.811527
  H      -4.255221      1.774878      8.899917
  H      -3.871443      3.502524      8.817746
  H      -2.279036      1.139648      7.693646
  H      -1.726586      2.300196      8.936058
  C      -2.532050      1.278826      3.177294
  C      -3.202559     -0.101433      3.311466
  C      -4.724049     -0.009318      3.555285
  C      -5.469602      0.291466      2.287743
  N      -5.680279      1.583148      1.983455
  C      -6.293244      1.867750      0.809268
  N      -6.733690      1.014199     -0.097597
  C      -6.548329     -0.315860      0.188724
  C      -7.005453     -1.286922     -0.730012
  C      -6.820222     -2.637030     -0.474434
  C      -6.170174     -3.056398      0.703099
  C      -5.714287     -2.126515      1.623824
  C      -5.896527     -0.738092      1.395003
  C      -3.771623      6.284860      5.800837
  C      -3.586740      7.465618      4.836187
  C      -4.097841      7.171271      3.426864
  C      -5.593664      6.976845      3.331544
  N      -6.338080      7.338052      4.382027
  C      -7.675687      7.147498      4.293952
  N      -8.362193      6.629042      3.291229
  C      -7.625829      6.252408      2.198101
  C      -8.287546      5.676881      1.088865
  C      -7.570943      5.300498     -0.033936
  C      -6.172590      5.486844     -0.083868
  C      -5.494622      6.034114      0.993674
  C      -6.201932      6.424942      2.161027
  C      -5.926834      2.482075      7.017790
  C      -6.650678      3.798636      7.337216
  C      -8.173541      3.706709      7.280055
  C      -8.771885      3.548084      5.904986
  N      -7.960085      3.510300      4.847453
  C      -8.520808      3.367175      3.619605
  N      -9.802219      3.249525      3.330102
  C     -10.663966      3.291700      4.394414
  C     -12.054439      3.180312      4.161115
  C     -12.945094      3.220336      5.220025
  C     -12.479175      3.371878      6.542398
  C     -11.123248      3.483602      6.799308
  C     -10.187843      3.445358      5.735424
  H      -1.568595      1.149695      2.647314
  H      -3.155868      1.924784      2.541053
  H      -2.732021     -0.657913      4.137498
  H      -3.015565     -0.685451      2.396355
  H      -5.087923     -0.949432      3.995553
  H      -4.918190      0.787989      4.293946
  H      -6.436033      2.934053      0.599988
  H      -7.504467     -0.938143     -1.634996
  H      -7.177231     -3.380741     -1.189473
  H      -6.026495     -4.122068      0.891556
  H      -5.211244     -2.463770      2.530654
  H      -4.806538      5.923534      5.715679
  H      -3.670779      6.651281      6.841401
  H      -2.517024      7.725890      4.781995
  H      -4.116163      8.340122      5.244080
  H      -3.813962      7.992147      2.745072
  H      -3.581325      6.280153      3.027961
  H      -8.252421      7.458069      5.173178
  H      -9.367151      5.530957      1.155927
  H      -8.086255      4.846920     -0.882747
  H      -5.622983      5.184677     -0.974480
  H      -4.413319      6.168984      0.944321
  H      -6.200968      1.721981      7.776310
  H      -6.283489      2.104933      6.049367
  H      -6.354745      4.139660      8.341649
  H      -6.306712      4.569929      6.631981
  H      -8.527916      2.875397      7.917654
  H      -8.608002      4.616801      7.730315
  H      -7.815620      3.338436      2.783078
  H     -12.391757      3.063886      3.130476
  H     -14.016855      3.134250      5.032922
  H     -13.193261      3.401626      7.366772
  H     -10.773425      3.601978      7.825027
  N      -5.116809      3.681918      4.042237
  H      -6.054802      3.694450      4.496116
  H      -5.226059      2.982130      3.272342
  H      -5.020553      4.597122      3.589734
99
Coordinates from ORCA-job orca E -6204.950232957501
  N      -2.241344      1.916806      4.454363
  Mo     -3.399483      3.236085      5.411647
  N      -4.474513      2.604987      6.936886
  C      -3.810670      2.542221      8.240166
  C      -2.347963      2.178796      8.026467
  N      -1.781966      3.003591      6.922443
  C      -0.646356      2.320994      6.246861
  C      -1.181361      1.303196      5.253815
  C      -1.404494      4.373460      7.372318
  C      -1.519397      5.320346      6.177750
  N      -2.833613      5.140076      5.555084
  H      -0.346835      0.973603      4.605352
  H      -1.530242      0.395694      5.786643
  H      -0.081883      3.089993      5.702473
  H       0.025793      1.858615      6.991235
  H      -1.373077      6.359676      6.519274
  H      -0.710609      5.115291      5.452508
  H      -2.125907      4.682064      8.144194
  H      -0.394135      4.363038      7.823597
  H      -4.277953      1.772531      8.883611
  H      -3.893930      3.500511      8.791641
  H      -2.285285      1.128590      7.707453
  H      -1.749568      2.301098      8.947084
  C      -2.480656      1.219755      3.194850
  C      -3.169719     -0.149379      3.349130
  C      -4.687093     -0.032610      3.612408
  C      -5.438350      0.282543      2.355041
  N      -5.617540      1.576573      2.051876
  C      -6.213585      1.875436      0.871951
  N      -6.658978      1.036868     -0.043350
  C      -6.503038     -0.295842      0.241881
  C      -6.949541     -1.254165     -0.693315
  C      -6.777812     -2.609427     -0.446162
  C      -6.157759     -3.042458      0.741761
  C      -5.711553     -2.124010      1.677575
  C      -5.876334     -0.734714      1.456372
  C      -3.751206      6.262690      5.757034
  C      -3.561377      7.441437      4.787515
  C      -4.103012      7.167247      3.385778
  C      -5.607147      7.029958      3.314927
  N      -6.324327      7.412604      4.380536
  C      -7.671308      7.282720      4.310139
  N      -8.389495      6.799111      3.313470
  C      -7.681356      6.402690      2.204961
  C      -8.376886      5.856900      1.103465
  C      -7.688955      5.462494     -0.031906
  C      -6.286199      5.597416     -0.100753
  C      -5.576257      6.112265      0.967958
  C      -6.252713      6.518432      2.147896
  C      -5.928822      2.462584      6.983423
  C      -6.658960      3.782045      7.289984
  C      -8.183633      3.684484      7.249781
  C      -8.796444      3.500565      5.885875
  N      -7.992148      3.439853      4.823799
  C      -8.561742      3.275479      3.602047
  N      -9.845189      3.158468      3.322263
  C     -10.700533      3.228359      4.391075
  C     -12.093130      3.129038      4.165357
  C     -12.978265      3.202836      5.227455
  C     -12.504331      3.377596      6.545666
  C     -11.145553      3.477956      6.795205
  C     -10.215163      3.406420      5.727178
  H      -1.510426      1.073446      2.672431
  H      -3.095236      1.859073      2.543452
  H      -2.699154     -0.704025      4.176176
  H      -3.000297     -0.745074      2.435646
  H      -5.061490     -0.967100      4.054500
  H      -4.863071      0.768636      4.354307
  H      -6.322892      2.939092      0.658493
  H      -7.422426     -0.893204     -1.608278
  H      -7.121289     -3.345102     -1.175640
  H      -6.023015     -4.110167      0.922585
  H      -5.223483     -2.472970      2.587627
  H      -4.787355      5.907513      5.676706
  H      -3.646366      6.635056      6.796024
  H      -2.489465      7.681813      4.716514
  H      -4.066163      8.322445      5.204998
  H      -3.799224      7.981058      2.698944
  H      -3.625814      6.259262      2.978507
  H      -8.220799      7.591151      5.204855
  H      -9.457456      5.746768      1.188073
  H      -8.230204      5.030501     -0.872427
  H      -5.755651      5.274988     -1.001470
  H      -4.491754      6.203484      0.906402
  H      -6.206192      1.708718      7.749917
  H      -6.278976      2.072969      6.016756
  H      -6.356876      4.137847      8.288114
  H      -6.323426      4.546809      6.571347
  H      -8.527572      2.863386      7.902887
  H      -8.616958      4.599099      7.690124
  H      -7.864492      3.226546      2.764822
  H     -12.436536      2.996519      3.137330
  H     -14.051835      3.127804      5.046100
  H     -13.214704      3.435214      7.373081
  H     -10.789749      3.615591      7.818071
  N      -5.066983      3.620095      3.978077
  H      -6.014291      3.633568      4.411879
  H      -5.155795      2.905515      3.212259
  H      -4.964728      4.524414      3.506921
99
Coordinates from ORCA-job orca E -6204.951084003310
  N      -2.261502      1.974509      4.439385
  Mo     -3.414409      3.271635      5.432557
  N      -4.478175      2.609105      6.951563
  C      -3.808016      2.529387      8.250597
  C      -2.344999      2.173641      8.022423
  N      -1.787073      3.016822      6.928308
  C      -0.655109      2.348440      6.231606
  C      -1.193051      1.349310      5.219668
  C      -1.410009      4.379892      7.399444
  C      -1.534702      5.348278      6.223945
  N      -2.849530      5.171574      5.602547
  H      -0.360920      1.036473      4.559522
  H      -1.535651      0.429250      5.735349
  H      -0.095867      3.129144      5.698690
  H       0.023394      1.872905      6.962320
  H      -1.392032      6.382033      6.583853
  H      -0.728565      5.160773      5.492951
  H      -2.126438      4.672330      8.180024
  H      -0.397719      4.365643      7.843433
  H      -4.268377      1.747972      8.884217
  H      -3.891955      3.478334      8.817639
  H      -2.281785      1.128956      7.686492
  H      -1.741927      2.282474      8.941347
  C      -2.506821      1.305381      3.166733
  C      -3.146240     -0.090189      3.285936
  C      -4.660379     -0.031637      3.576639
  C      -5.445398      0.287466      2.339551
  N      -5.667371      1.584085      2.068504
  C      -6.314508      1.890736      0.919019
  N      -6.778789      1.055335      0.007324
  C      -6.579915     -0.279687      0.259019
  C      -7.057055     -1.231753     -0.668687
  C      -6.855398     -2.586590     -0.450787
  C      -6.169141     -3.028941      0.697611
  C      -5.693230     -2.117868      1.626742
  C      -5.892147     -0.725159      1.437017
  C      -3.767805      6.293159      5.792989
  C      -3.565825      7.461171      4.814815
  C      -4.065811      7.150825      3.404428
  C      -5.565285      6.986634      3.295140
  N      -6.312330      7.371273      4.335744
  C      -7.653708      7.215519      4.234423
  N      -8.342147      6.713582      3.225543
  C      -7.603442      6.309520      2.143714
  C      -8.267361      5.739266      1.033993
  C      -7.548043      5.332950     -0.077261
  C      -6.144928      5.482349     -0.114536
  C      -5.465237      6.022101      0.964983
  C      -6.174975      6.442370      2.121373
  C      -5.929840      2.456846      6.997105
  C      -6.666651      3.769896      7.302487
  C      -8.189670      3.664206      7.258828
  C      -8.805709      3.487590      5.893345
  N      -8.009195      3.428023      4.825507
  C      -8.589341      3.272060      3.607983
  N      -9.875207      3.169208      3.335889
  C     -10.721660      3.237511      4.410218
  C     -12.116683      3.148983      4.195093
  C     -12.992990      3.217353      5.264742
  C     -12.507240      3.375533      6.579442
  C     -11.146068      3.466444      6.818340
  C     -10.225056      3.399922      5.743174
  H      -1.543248      1.205418      2.626764
  H      -3.150704      1.945171      2.545293
  H      -2.642620     -0.657985      4.084259
  H      -2.974714     -0.648722      2.351332
  H      -4.995182     -0.987340      4.002982
  H      -4.847460      0.743857      4.339691
  H      -6.466879      2.960638      0.736065
  H      -7.582669     -0.864675     -1.551650
  H      -7.227523     -3.315450     -1.172429
  H      -6.012146     -4.097086      0.855957
  H      -5.160176     -2.473481      2.509047
  H      -4.802795      5.935630      5.699530
  H      -3.677304      6.671950      6.830475
  H      -2.494576      7.715243      4.768645
  H      -4.094820      8.342721      5.204792
  H      -3.757037      7.953285      2.709835
  H      -3.563087      6.241854      3.029275
  H      -8.230868      7.542129      5.106553
  H      -9.349946      5.618476      1.093183
  H      -8.064995      4.883640     -0.926446
  H      -5.592500      5.155389     -0.998531
  H      -4.379820      6.125789      0.926997
  H      -6.202719      1.699186      7.759523
  H      -6.275604      2.068594      6.029104
  H      -6.368534      4.126478      8.301253
  H      -6.332549      4.535459      6.585869
  H      -8.530077      2.836317      7.907623
  H      -8.626796      4.574098      7.706293
  H      -7.898094      3.232368      2.761769
  H     -12.469188      3.028130      3.169841
  H     -14.068633      3.149784      5.092139
  H     -13.210280      3.427947      7.412363
  H     -10.781134      3.591746      7.838385
  N      -5.103097      3.688749      4.035662
  H      -6.040074      3.732559      4.487920
  H      -5.224234      2.971118      3.279976
  H      -4.987941      4.588879      3.559778
99
Coordinates from ORCA-job orca E -6204.951193228082
  N      -2.271215      1.989989      4.435320
  Mo     -3.435473      3.259440      5.451267
  N      -4.474186      2.570774      6.976476
  C      -3.789237      2.487646      8.267677
  C      -2.323594      2.156227      8.021264
  N      -1.789820      3.018244      6.929909
  C      -0.654406      2.373622      6.216405
  C      -1.186210      1.374845      5.200405
  C      -1.431816      4.383119      7.409697
  C      -1.582910      5.360733      6.245290
  N      -2.897519      5.165998      5.628360
  H      -0.355421      1.081559      4.529791
  H      -1.509864      0.445013      5.710760
  H      -0.112591      3.167582      5.684605
  H       0.038896      1.902281      6.936426
  H      -1.458388      6.393311      6.615515
  H      -0.777214      5.196864      5.508264
  H      -2.146501      4.655297      8.198620
  H      -0.415728      4.382631      7.844837
  H      -4.231550      1.693757      8.898344
  H      -3.880686      3.429727      8.845016
  H      -2.247945      1.115780      7.674909
  H      -1.713179      2.265536      8.935366
  C      -2.514837      1.333442      3.156439
  C      -3.134310     -0.072086      3.262904
  C      -4.648331     -0.042142      3.559293
  C      -5.445856      0.273158      2.328771
  N      -5.683280      1.568432      2.062337
  C      -6.342047      1.871383      0.918966
  N      -6.809237      1.032865      0.011566
  C      -6.597297     -0.301225      0.259747
  C      -7.081900     -1.256907     -0.661042
  C      -6.870331     -2.610112     -0.445587
  C      -6.165200     -3.048045      0.692951
  C      -5.682637     -2.133950      1.615946
  C      -5.892071     -0.741703      1.428932
  C      -3.823980      6.282433      5.804416
  C      -3.617363      7.447869      4.824712
  C      -4.091806      7.126583      3.408797
  C      -5.589510      6.966952      3.271739
  N      -6.356337      7.350011      4.297923
  C      -7.695452      7.200889      4.166626
  N      -8.364598      6.712708      3.137722
  C      -7.604768      6.310314      2.070349
  C      -8.246312      5.755857      0.938688
  C      -7.503066      5.349072     -0.157631
  C      -6.098759      5.483342     -0.157030
  C      -5.441963      6.010693      0.942958
  C      -6.176176      6.431618      2.083076
  C      -5.924567      2.424799      7.037856
  C      -6.645927      3.741439      7.361098
  C      -8.168445      3.654534      7.308002
  C      -8.773379      3.522634      5.932811
  N      -7.967877      3.494514      4.871189
  C      -8.538020      3.374040      3.645308
  N      -9.821077      3.278182      3.359677
  C     -10.676441      3.315528      4.428037
  C     -12.069617      3.229783      4.200135
  C     -12.954347      3.264635      5.264869
  C     -12.478804      3.384438      6.586877
  C     -11.119779      3.471107      6.838231
  C     -10.190810      3.439264      5.768742
  H      -1.553755      1.252912      2.610928
  H      -3.169584      1.973666      2.547828
  H      -2.618126     -0.642746      4.051080
  H      -2.960138     -0.616246      2.321199
  H      -4.964674     -1.006808      3.977745
  H      -4.845353      0.722326      4.328793
  H      -6.501731      2.941886      0.736367
  H      -7.622599     -0.893277     -1.535769
  H      -7.249539     -3.341634     -1.161294
  H      -6.000434     -4.115640      0.849597
  H      -5.138226     -2.487327      2.492325
  H      -4.856021      5.918366      5.701725
  H      -3.745315      6.666469      6.840665
  H      -2.547448      7.711645      4.795289
  H      -4.161838      8.326951      5.201790
  H      -3.768386      7.921023      2.713465
  H      -3.583568      6.212441      3.051017
  H      -8.290483      7.529117      5.028149
  H      -9.330952      5.646495      0.968330
  H      -8.001949      4.910057     -1.024339
  H      -5.527968      5.153080     -1.025948
  H      -4.355127      6.103086      0.933733
  H      -6.194479      1.662860      7.796339
  H      -6.282175      2.047197      6.069731
  H      -6.347106      4.079636      8.366192
  H      -6.299591      4.513390      6.657396
  H      -8.521237      2.811541      7.931311
  H      -8.599382      4.556501      7.777273
  H      -7.838746      3.354855      2.803154
  H     -12.414133      3.138059      3.169612
  H     -14.028732      3.199295      5.082764
  H     -13.188211      3.409704      7.415780
  H     -10.762864      3.565388      7.863979
  N      -5.151049      3.639873      4.075396
  H      -6.083784      3.673032      4.536551
  H      -5.267608      2.911076      3.331213
  H      -5.057660      4.537647      3.588837
99
Coordinates from ORCA-job orca E -6204.951613346554
  N      -2.271630      2.018963      4.421861
  Mo     -3.442024      3.272780      5.447880
  N      -4.486755      2.562416      6.959709
  C      -3.804663      2.456846      8.250722
  C      -2.337324      2.133645      8.003371
  N      -1.801838      3.015319      6.928612
  C      -0.660751      2.386455      6.210660
  C      -1.184850      1.399316      5.179833
  C      -1.452114      4.373897      7.431378
  C      -1.596977      5.368570      6.280975
  N      -2.904342      5.176298      5.648906
  H      -0.351314      1.118964      4.506573
  H      -1.504205      0.460910      5.676990
  H      -0.120144      3.189907      5.692374
  H       0.031493      1.908025      6.926625
  H      -1.482467      6.395753      6.668639
  H      -0.783008      5.221429      5.549344
  H      -2.174392      4.631275      8.218343
  H      -0.439681      4.370070      7.874683
  H      -4.246652      1.650043      8.865140
  H      -3.900521      3.387549      8.845545
  H      -2.257371      1.099425      7.639871
  H      -1.730443      2.229079      8.921177
  C      -2.515607      1.371713      3.138208
  C      -3.119120     -0.041106      3.237616
  C      -4.630871     -0.032628      3.551607
  C      -5.444296      0.277202      2.330175
  N      -5.699494      1.570480      2.070263
  C      -6.368121      1.868737      0.931442
  N      -6.831735      1.028051      0.024151
  C      -6.604311     -0.303946      0.267477
  C      -7.084066     -1.261849     -0.653204
  C      -6.854223     -2.613221     -0.444446
  C      -6.135276     -3.046190      0.687541
  C      -5.657034     -2.129727      1.610261
  C      -5.885363     -0.739878      1.430344
  C      -3.828474      6.297062      5.807092
  C      -3.608460      7.453613      4.819563
  C      -4.061163      7.115167      3.400480
  C      -5.556246      6.950713      3.246695
  N      -6.334104      7.333100      4.264495
  C      -7.671908      7.180994      4.120505
  N      -8.330076      6.688163      3.086957
  C      -7.558592      6.283791      2.028704
  C      -8.188857      5.723083      0.894266
  C      -7.434831      5.315258     -0.193643
  C      -6.030294      5.453062     -0.181051
  C      -5.384209      5.985816      0.922582
  C      -6.129975      6.409051      2.054033
  C      -5.938650      2.418776      7.017913
  C      -6.660442      3.730393      7.361710
  C      -8.184170      3.640415      7.327946
  C      -8.808494      3.524465      5.960051
  N      -8.015922      3.504120      4.887998
  C      -8.600539      3.394163      3.667865
  N      -9.887199      3.302658      3.397022
  C     -10.729998      3.334188      4.476238
  C     -12.125781      3.254172      4.263603
  C     -12.997933      3.282086      5.338609
  C     -12.506930      3.389244      6.656280
  C     -11.144959      3.470356      6.893057
  C     -10.228281      3.445555      5.812471
  H      -1.557112      1.306127      2.585759
  H      -3.181806      2.009455      2.539144
  H      -2.587004     -0.613955      4.013517
  H      -2.949427     -0.574326      2.288460
  H      -4.929405     -1.005162      3.967285
  H      -4.832387      0.725020      4.328553
  H      -6.536144      2.936458      0.749748
  H      -7.634988     -0.901692     -1.523211
  H      -7.229244     -3.346779     -1.160122
  H      -5.955521     -4.112033      0.838772
  H      -5.101548     -2.479912      2.481025
  H      -4.860363      5.935395      5.694668
  H      -3.760013      6.687823      6.841487
  H      -2.539180      7.720329      4.804119
  H      -4.161982      8.333880      5.178890
  H      -3.729170      7.900494      2.698427
  H      -3.547232      6.197207      3.062699
  H      -8.275300      7.507081      4.975687
  H      -9.274267      5.611548      0.915258
  H      -7.925250      4.872197     -1.062456
  H      -5.451360      5.121296     -1.043336
  H      -4.297256      6.080140      0.923614
  H      -6.208541      1.647150      7.766429
  H      -6.296623      2.053093      6.045194
  H      -6.350751      4.059131      8.366464
  H      -6.323806      4.510322      6.662324
  H      -8.526272      2.788543      7.944856
  H      -8.611382      4.534352      7.815091
  H      -7.911221      3.374093      2.818113
  H     -12.482261      3.172257      3.236178
  H     -14.074303      3.221056      5.168142
  H     -13.206553      3.408917      7.493346
  H     -10.776159      3.554824      7.915535
  N      -5.142471      3.664738      4.061780
  H      -6.079443      3.697207      4.515748
  H      -5.255101      2.938920      3.313528
  H      -5.044220      4.562988      3.576322
99
Coordinates from ORCA-job orca E -6204.951987902355
  N      -2.270495      2.058705      4.402391
  Mo     -3.448670      3.285179      5.451722
  N      -4.491820      2.535232      6.947573
  C      -3.809106      2.403440      8.235536
  C      -2.338787      2.097690      7.981153
  N      -1.808570      3.008315      6.928184
  C      -0.660568      2.408018      6.197555
  C      -1.174564      1.437905      5.145892
  C      -1.473044      4.357305      7.463681
  C      -1.618308      5.377524      6.336641
  N      -2.917809      5.185344      5.688387
  H      -0.339332      1.181575      4.465450
  H      -1.481016      0.485349      5.624040
  H      -0.127624      3.228144      5.697648
  H       0.036049      1.920915      6.903101
  H      -1.522091      6.395475      6.752181
  H      -0.793570      5.260945      5.609937
  H      -2.203856      4.589348      8.251280
  H      -0.463219      4.351586      7.913783
  H      -4.244607      1.577257      8.829057
  H      -3.913451      3.317870      8.854306
  H      -2.250094      1.072791      7.593923
  H      -1.733568      2.176246      8.901988
  C      -2.516768      1.422773      3.112829
  C      -3.089796     -0.003069      3.204816
  C      -4.592042     -0.029264      3.561670
  C      -5.440839      0.279780      2.365728
  N      -5.714784      1.572141      2.124506
  C      -6.410893      1.873850      1.003334
  N      -6.885015      1.038109      0.097556
  C      -6.638042     -0.293268      0.322370
  C      -7.122878     -1.246098     -0.600184
  C      -6.869935     -2.596944     -0.412882
  C      -6.123439     -3.033071      0.700041
  C      -5.638960     -2.121391      1.623722
  C      -5.889703     -0.733069      1.465568
  C      -3.835106      6.316410      5.814386
  C      -3.596724      7.450868      4.804268
  C      -4.037649      7.084426      3.388020
  C      -5.533750      6.937782      3.222122
  N      -6.316562      7.336868      4.230701
  C      -7.655373      7.202641      4.076100
  N      -8.310137      6.710314      3.040549
  C      -7.533831      6.286669      1.992392
  C      -8.160712      5.718974      0.860464
  C      -7.401998      5.290525     -0.216681
  C      -5.996341      5.412087     -0.194280
  C      -5.353570      5.949856      0.908080
  C      -6.103937      6.393765      2.028540
  C      -5.944889      2.394166      7.006092
  C      -6.665500      3.706614      7.350504
  C      -8.189983      3.616553      7.323855
  C      -8.822012      3.503894      5.959298
  N      -8.034192      3.482547      4.883324
  C      -8.625103      3.377722      3.665290
  N      -9.913169      3.296514      3.399106
  C     -10.751362      3.332321      4.482111
  C     -12.148578      3.267910      4.273941
  C     -13.016482      3.302881      5.352244
  C     -12.519390      3.402161      6.668801
  C     -11.155762      3.468366      6.901367
  C     -10.243018      3.436183      5.817083
  H      -1.563913      1.384030      2.545266
  H      -3.205580      2.052208      2.530967
  H      -2.525396     -0.578190      3.955669
  H      -2.936305     -0.517886      2.241901
  H      -4.860325     -1.012695      3.971428
  H      -4.789338      0.714618      4.354013
  H      -6.593338      2.939707      0.834539
  H      -7.694595     -0.882783     -1.455821
  H      -7.247820     -3.326989     -1.130140
  H      -5.925529     -4.097595      0.834419
  H      -5.060556     -2.474954      2.477884
  H      -4.868239      5.960980      5.697861
  H      -3.773383      6.727017      6.841735
  H      -2.526529      7.712080      4.795104
  H      -4.150027      8.339930      5.137967
  H      -3.685290      7.846633      2.668832
  H      -3.534581      6.150137      3.080460
  H      -8.261066      7.535215      4.925844
  H      -9.246957      5.619289      0.875409
  H      -7.889683      4.842207     -1.083073
  H      -5.413024      5.061388     -1.048634
  H      -4.265438      6.028594      0.919053
  H      -6.215319      1.621701      7.754395
  H      -6.303055      2.028372      6.033125
  H      -6.351732      4.037397      8.353519
  H      -6.330135      4.484843      6.647986
  H      -8.528500      2.762837      7.938993
  H      -8.615473      4.507946      7.816424
  H      -7.941079      3.359886      2.812733
  H     -12.509514      3.193075      3.247103
  H     -14.094056      3.254693      5.185397
  H     -13.215912      3.428321      7.508559
  H     -10.782481      3.547846      7.923161
  N      -5.145315      3.692448      4.067230
  H      -6.081790      3.730736      4.521910
  H      -5.261886      2.968150      3.315244
  H      -5.043539      4.589374      3.580500
99
Coordinates from ORCA-job orca E -6204.952376898340
  N      -2.271377      2.096464      4.389007
  Mo     -3.464582      3.287137      5.463332
  N      -4.498900      2.492971      6.944834
  C      -3.811446      2.338541      8.227614
  C      -2.337204      2.060028      7.964400
  N      -1.820500      3.002164      6.932707
  C      -0.663825      2.437057      6.188528
  C      -1.162680      1.481201      5.117194
  C      -1.507164      4.343376      7.498938
  C      -1.663763      5.388395      6.397293
  N      -2.954831      5.187100      5.734839
  H      -0.324744      1.254454      4.429523
  H      -1.450208      0.513356      5.576130
  H      -0.144844      3.276761      5.706644
  H       0.041472      1.946081      6.882677
  H      -1.594112      6.396176      6.841860
  H      -0.829465      5.310541      5.675477
  H      -2.245509      4.544536      8.288039
  H      -0.499084      4.342959      7.953102
  H      -4.233832      1.491234      8.800619
  H      -3.927959      3.235225      8.870229
  H      -2.234023      1.045748      7.553837
  H      -1.732737      2.125545      8.886827
  C      -2.511642      1.474204      3.091228
  C      -3.061904      0.038440      3.169376
  C      -4.559725     -0.019404      3.541852
  C      -5.425423      0.281411      2.356143
  N      -5.719472      1.570237      2.121491
  C      -6.431853      1.864921      1.008817
  N      -6.905086      1.025537      0.106311
  C      -6.638053     -0.302813      0.325095
  C      -7.121161     -1.259783     -0.594064
  C      -6.848721     -2.607562     -0.412949
  C      -6.084582     -3.036091      0.691075
  C      -5.601679     -2.120454      1.611348
  C      -5.871126     -0.735021      1.458923
  C      -3.866858      6.326043      5.823196
  C      -3.609571      7.438994      4.793215
  C      -4.032389      7.045169      3.378893
  C      -5.527758      6.910212      3.194500
  N      -6.321178      7.315772      4.192526
  C      -7.658602      7.188319      4.021937
  N      -8.303190      6.699426      2.978284
  C      -7.515950      6.268119      1.941054
  C      -8.131553      5.699433      0.803607
  C      -7.361008      5.261250     -0.261920
  C      -5.955244      5.373049     -0.220622
  C      -5.323858      5.911555      0.887884
  C      -6.086246      6.366088      1.995392
  C      -5.953276      2.361199      7.010400
  C      -6.659832      3.680273      7.360159
  C      -8.185889      3.608756      7.345947
  C      -8.831125      3.509712      5.986334
  N      -8.052087      3.479006      4.904192
  C      -8.653808      3.384338      3.690528
  N      -9.944391      3.325402      3.433333
  C     -10.773758      3.374314      4.522453
  C     -12.172980      3.336484      4.323569
  C     -13.032604      3.384439      5.408087
  C     -12.524462      3.470756      6.721501
  C     -11.158393      3.511250      6.944965
  C     -10.253866      3.465453      5.854150
  H      -1.560714      1.457355      2.519554
  H      -3.212625      2.099810      2.519915
  H      -2.479684     -0.537756      3.905437
  H      -2.911395     -0.460578      2.197632
  H      -4.805069     -1.011209      3.945887
  H      -4.764105      0.714400      4.341860
  H      -6.630035      2.927986      0.843459
  H      -7.706967     -0.901975     -1.442366
  H      -7.224979     -3.341136     -1.127622
  H      -5.871430     -4.098357      0.820969
  H      -5.010226     -2.469440      2.458384
  H      -4.900390      5.974530      5.699761
  H      -3.814794      6.757005      6.842420
  H      -2.538919      7.698165      4.795190
  H      -4.166973      8.335153      5.100271
  H      -3.660382      7.784957      2.646631
  H      -3.535278      6.097697      3.101848
  H      -8.272818      7.525013      4.863904
  H      -9.218730      5.606279      0.805861
  H      -7.839504      4.811806     -1.132870
  H      -5.362603      5.013380     -1.064399
  H      -4.235493      5.981478      0.914743
  H      -6.225688      1.590464      7.759622
  H      -6.318690      1.997660      6.038949
  H      -6.334329      4.007674      8.360555
  H      -6.320759      4.454555      6.655097
  H      -8.529325      2.756376      7.960241
  H      -8.597097      4.502836      7.845567
  H      -7.977280      3.358278      2.832744
  H     -12.542122      3.271321      3.298994
  H     -14.112003      3.356829      5.248817
  H     -13.214597      3.507665      7.566181
  H     -10.776751      3.581506      7.964377
  N      -5.163331      3.684175      4.081193
  H      -6.100600      3.714429      4.535961
  H      -5.273074      2.957281      3.331209
  H      -5.072665      4.581114      3.591284
99
Coordinates from ORCA-job orca E -6204.952744502415
  N      -2.272384      2.133620      4.373943
  Mo     -3.481092      3.285771      5.475141
  N      -4.503954      2.443743      6.940849
  C      -3.810194      2.266351      8.217124
  C      -2.332099      2.018778      7.944481
  N      -1.832628      2.994371      6.936034
  C      -0.666807      2.470645      6.176651
  C      -1.147641      1.528541      5.085548
  C      -1.543861      4.326927      7.534279
  C      -1.715583      5.397025      6.460691
  N      -2.999034      5.184845      5.786510
  H      -0.307113      1.335108      4.390672
  H      -1.411708      0.544994      5.525184
  H      -0.167463      3.332890      5.714100
  H       0.050778      1.978758      6.857676
  H      -1.674181      6.392353      6.936337
  H      -0.873794      5.361039      5.744350
  H      -2.288283      4.495185      8.324970
  H      -0.537298      4.333441      7.991128
  H      -4.216786      1.397436      8.768629
  H      -3.939177      3.143611      8.884180
  H      -2.212880      1.016969      7.508985
  H      -1.727838      2.070891      8.867825
  C      -2.507381      1.523679      3.069238
  C      -3.029475      0.076489      3.132448
  C      -4.520338     -0.017231      3.524656
  C      -5.410197      0.271858      2.353247
  N      -5.731818      1.556022      2.127928
  C      -6.469822      1.841281      1.029456
  N      -6.943219      0.995665      0.132718
  C      -6.648147     -0.328579      0.342242
  C      -7.132056     -1.291778     -0.570459
  C      -6.835122     -2.634855     -0.397019
  C      -6.044235     -3.053070      0.692310
  C      -5.559856     -2.131678      1.605796
  C      -5.854023     -0.750020      1.461091
  C      -3.903856      6.331368      5.835366
  C      -3.626556      7.420457      4.785686
  C      -4.039793      7.002272      3.375853
  C      -5.535170      6.886506      3.175419
  N      -6.336248      7.305088      4.161930
  C      -7.672306      7.191553      3.974767
  N      -8.309830      6.711602      2.921998
  C      -7.514915      6.268546      1.895742
  C      -8.122757      5.710770      0.748399
  C      -7.343254      5.257339     -0.304765
  C      -5.936917      5.343514     -0.240419
  C      -5.313553      5.874814      0.876804
  C      -6.085125      6.345911      1.970606
  C      -5.959181      2.324338      7.014680
  C      -6.647203      3.650065      7.375806
  C      -8.173940      3.602542      7.365351
  C      -8.822437      3.526499      6.005731
  N      -8.044958      3.495157      4.922640
  C      -8.648726      3.421438      3.708700
  N      -9.940131      3.382372      3.452324
  C     -10.767786      3.432926      4.542736
  C     -12.167498      3.416550      4.345145
  C     -13.025237      3.466069      5.431077
  C     -12.514328      3.531826      6.744401
  C     -11.147845      3.550597      6.966572
  C     -10.245279      3.503383      5.874417
  H      -1.559896      1.531623      2.494017
  H      -3.222464      2.142679      2.508053
  H      -2.426137     -0.499055      3.851691
  H      -2.882848     -0.404706      2.151738
  H      -4.737705     -1.016550      3.925935
  H      -4.727835      0.706993      4.331696
  H      -6.691159      2.902046      0.870980
  H      -7.739111     -0.941973     -1.406698
  H      -7.212657     -3.373240     -1.106384
  H      -5.812174     -4.112312      0.816593
  H      -4.948369     -2.473178      2.441544
  H      -4.938367      5.984608      5.706820
  H      -3.858920      6.784249      6.844846
  H      -2.553697      7.671234      4.793746
  H      -4.180322      8.327484      5.069851
  H      -3.646146      7.717249      2.631879
  H      -3.555228      6.039575      3.126479
  H      -8.293633      7.539084      4.808159
  H      -9.211458      5.636583      0.734280
  H      -7.815596      4.814351     -1.183193
  H      -5.337467      4.970276     -1.071756
  H      -4.224798      5.926853      0.920894
  H      -6.234927      1.553071      7.761260
  H      -6.334316      1.969363      6.043673
  H      -6.312865      3.965973      8.376814
  H      -6.298950      4.423477      6.674770
  H      -8.529404      2.749419      7.972557
  H      -8.570459      4.498771      7.873443
  H      -7.972794      3.393109      2.849286
  H     -12.538371      3.366408      3.320663
  H     -14.105129      3.455154      5.273194
  H     -13.202968      3.569714      7.590134
  H     -10.764071      3.604404      7.985864
  N      -5.184438      3.669411      4.096001
  H      -6.122679      3.679689      4.550159
  H      -5.280434      2.944918      3.344060
  H      -5.113712      4.570890      3.610169
99
Coordinates from ORCA-job orca E -6204.953018652969
  N      -2.281804      2.155668      4.372572
  Mo     -3.495754      3.288737      5.490024
  N      -4.507929      2.422762      6.951321
  C      -3.807681      2.235396      8.222149
  C      -2.328953      2.003922      7.940904
  N      -1.842470      2.995928      6.942676
  C      -0.673963      2.494724      6.172766
  C      -1.146584      1.557826      5.073652
  C      -1.565170      4.324394      7.556320
  C      -1.748426      5.406661      6.497169
  N      -3.029275      5.186952      5.819570
  H      -0.306073      1.382327      4.374055
  H      -1.395895      0.566691      5.504713
  H      -0.188442      3.369159      5.718451
  H       0.053011      2.004952      6.845377
  H      -1.721673      6.395132      6.988516
  H      -0.904109      5.392701      5.782937
  H      -2.309936      4.477045      8.350165
  H      -0.557762      4.334638      8.011638
  H      -4.204138      1.356082      8.764560
  H      -3.940795      3.103217      8.900809
  H      -2.202573      1.008746      7.492529
  H      -1.721865      2.049872      8.862725
  C      -2.512809      1.556345      3.061979
  C      -3.025703      0.105360      3.108453
  C      -4.512852      0.001149      3.511545
  C      -5.413332      0.293257      2.348700
  N      -5.740113      1.577431      2.132157
  C      -6.489708      1.867102      1.041986
  N      -6.966449      1.025367      0.144150
  C      -6.663496     -0.298821      0.343229
  C      -7.147351     -1.258113     -0.573598
  C      -6.842960     -2.600942     -0.410670
  C      -6.045133     -3.022582      0.671980
  C      -5.560256     -2.105048      1.588798
  C      -5.860642     -0.724492      1.454247
  C      -3.927616      6.339313      5.832202
  C      -3.630142      7.407538      4.766891
  C      -4.027147      6.967424      3.359178
  C      -5.519985      6.855066      3.138944
  N      -6.334630      7.283420      4.111038
  C      -7.667974      7.169581      3.906355
  N      -8.291071      6.680860      2.848864
  C      -7.482308      6.229679      1.836211
  C      -8.074542      5.664895      0.684144
  C      -7.281364      5.204662     -0.355788
  C      -5.876403      5.290532     -0.273126
  C      -5.267740      5.827461      0.849808
  C      -6.053606      6.306444      1.930137
  C      -5.963352      2.306789      7.033885
  C      -6.646571      3.633248      7.403497
  C      -8.173499      3.590905      7.397084
  C      -8.825829      3.524806      6.038984
  N      -8.051333      3.499106      4.953510
  C      -8.658266      3.438846      3.740335
  N      -9.950607      3.405611      3.487239
  C     -10.775323      3.448496      4.580543
  C     -12.175579      3.437194      4.386492
  C     -13.030166      3.480111      5.475125
  C     -12.515507      3.534067      6.787734
  C     -11.148548      3.547591      7.006369
  C     -10.249013      3.506909      5.911244
  H      -1.565023      1.576501      2.487685
  H      -3.232031      2.175185      2.505531
  H      -2.414359     -0.476945      3.815389
  H      -2.883080     -0.361024      2.120048
  H      -4.721723     -1.001134      3.910156
  H      -4.715520      0.720939      4.323973
  H      -6.717566      2.927445      0.892367
  H      -7.759818     -0.905456     -1.404472
  H      -7.219781     -3.336650     -1.123627
  H      -5.807355     -4.081723      0.787940
  H      -4.941642     -2.448574      2.418235
  H      -4.962409      5.996054      5.697147
  H      -3.891652      6.811182      6.833200
  H      -2.556117      7.652247      4.784300
  H      -4.181037      8.323077      5.029187
  H      -3.617399      7.665650      2.608174
  H      -3.545147      5.997043      3.134159
  H      -8.300761      7.521917      4.729284
  H      -9.162640      5.591599      0.656398
  H      -7.742289      4.757340     -1.237984
  H      -5.265424      4.913209     -1.094457
  H      -4.180032      5.880523      0.907726
  H      -6.236576      1.534168      7.780180
  H      -6.345749      1.955273      6.064485
  H      -6.307570      3.942869      8.404904
  H      -6.298652      4.409205      6.704614
  H      -8.530292      2.735745      8.000477
  H      -8.565567      4.486128      7.910505
  H      -7.984774      3.418466      2.879127
  H     -12.549112      3.396107      3.362455
  H     -14.110470      3.473167      5.320074
  H     -13.201855      3.566826      7.635791
  H     -10.761702      3.591702      8.025104
  N      -5.206685      3.664055      4.117866
  H      -6.141081      3.679659      4.580779
  H      -5.310661      2.930717      3.376263
  H      -5.142308      4.559618      3.620688
99
Coordinates from ORCA-job orca E -6204.953318008961
  N      -2.288390      2.174601      4.368883
  Mo     -3.506910      3.291882      5.498320
  N      -4.518050      2.405666      6.949636
  C      -3.816166      2.203104      8.216949
  C      -2.336580      1.981698      7.932183
  N      -1.855150      2.990001      6.948487
  C      -0.682669      2.508140      6.172254
  C      -1.147002      1.579661      5.062541
  C      -1.586273      4.311469      7.580666
  C      -1.773110      5.407539      6.536710
  N      -3.049008      5.187010      5.849885
  H      -0.304985      1.419680      4.361076
  H      -1.386868      0.581476      5.482832
  H      -0.205839      3.392721      5.728516
  H       0.049243      2.017254      6.838749
  H      -1.758637      6.388107      7.044427
  H      -0.924035      5.412811      5.827974
  H      -2.332625      4.450484      8.375367
  H      -0.579632      4.320796      8.037497
  H      -4.208312      1.314423      8.747247
  H      -3.952013      3.060712      8.908031
  H      -2.205852      0.993754      7.469129
  H      -1.729710      2.016854      8.854662
  C      -2.516777      1.584814      3.053921
  C      -3.009748      0.126769      3.087805
  C      -4.490517     -0.001666      3.507411
  C      -5.408642      0.285962      2.357731
  N      -5.754877      1.567167      2.155315
  C      -6.519641      1.855438      1.075503
  N      -6.994089      1.014529      0.175581
  C      -6.670865     -0.306837      0.360193
  C      -7.150844     -1.264889     -0.560052
  C      -6.826441     -2.604545     -0.411619
  C      -6.011173     -3.024476      0.658888
  C      -5.529358     -2.108146      1.578450
  C      -5.850982     -0.730721      1.459210
  C      -3.934137      6.349040      5.825137
  C      -3.612083      7.391653      4.741452
  C      -4.007198      6.933146      3.339222
  C      -5.500273      6.844543      3.111287
  N      -6.311975      7.294506      4.075895
  C      -7.645893      7.202735      3.865266
  N      -8.272657      6.719229      2.807448
  C      -7.467254      6.247763      1.801724
  C      -8.064355      5.689359      0.649126
  C      -7.274966      5.209414     -0.384638
  C      -5.869035      5.267245     -0.294562
  C      -5.255671      5.796402      0.829802
  C      -6.037559      6.296928      1.903299
  C      -5.973900      2.299576      7.036264
  C      -6.650252      3.626451      7.416186
  C      -8.177198      3.587125      7.413777
  C      -8.833097      3.531887      6.056812
  N      -8.061412      3.518289      4.969047
  C      -8.671027      3.469057      3.756842
  N      -9.963953      3.435402      3.506597
  C     -10.785951      3.464997      4.602487
  C     -12.186755      3.451420      4.411918
  C     -13.038648      3.481057      5.502998
  C     -12.520764      3.523576      6.814793
  C     -11.153364      3.539173      7.030138
  C     -10.256456      3.511985      5.932358
  H      -1.570916      1.622518      2.476825
  H      -3.246001      2.198872      2.505429
  H      -2.382597     -0.456375      3.780190
  H      -2.871495     -0.324375      2.091756
  H      -4.680192     -1.009093      3.902015
  H      -4.692158      0.710507      4.326819
  H      -6.762053      2.913953      0.936632
  H      -7.776757     -0.913554     -1.381606
  H      -7.200659     -3.339118     -1.126794
  H      -5.757801     -4.080992      0.763273
  H      -4.896866     -2.449536      2.398339
  H      -4.970998      6.014153      5.685513
  H      -3.903378      6.841996      6.816196
  H      -2.534459      7.619760      4.761704
  H      -4.149361      8.320605      4.983673
  H      -3.578562      7.608951      2.578142
  H      -3.542105      5.949533      3.135951
  H      -8.276256      7.571424      4.682663
  H      -9.153597      5.638326      0.615652
  H      -7.740212      4.768368     -1.267610
  H      -5.260802      4.874660     -1.111323
  H      -4.167252      5.828768      0.892901
  H      -6.248840      1.524234      7.779076
  H      -6.362077      1.955996      6.066435
  H      -6.307098      3.928319      8.418570
  H      -6.302329      4.405996      6.721159
  H      -8.534160      2.728401      8.011836
  H      -8.566270      4.479334      7.934446
  H      -7.999257      3.460393      2.893888
  H     -12.562688      3.419278      3.388431
  H     -14.119359      3.472355      5.350606
  H     -13.205102      3.545662      7.664761
  H     -10.763832      3.574057      8.048198
  N      -5.215543      3.671444      4.125060
  H      -6.149365      3.688276      4.589130
  H      -5.321545      2.937591      3.383747
  H      -5.152735      4.566335      3.626407
99
Coordinates from ORCA-job orca E -6204.953616775373
  N      -2.302270      2.187244      4.368409
  Mo     -3.520999      3.295325      5.507454
  N      -4.532353      2.398990      6.953215
  C      -3.828592      2.185391      8.217353
  C      -2.349547      1.966393      7.928534
  N      -1.870789      2.984945      6.954438
  C      -0.696998      2.514164      6.172803
  C      -1.157476      1.591899      5.056130
  C      -1.603328      4.301053      7.598848
  C      -1.794961      5.407546      6.566569
  N      -3.068431      5.187169      5.876240
  H      -0.314523      1.441664      4.353600
  H      -1.392687      0.589223      5.468348
  H      -0.225806      3.404701      5.735139
  H       0.038471      2.022421      6.834765
  H      -1.788089      6.382107      7.086327
  H      -0.944004      5.426647      5.860351
  H      -2.346118      4.432892      8.397726
  H      -0.595429      4.307938      8.052333
  H      -4.219974      1.292386      8.741005
  H      -3.962207      3.037375      8.915684
  H      -2.219410      0.983446      7.454605
  H      -1.741285      1.992160      8.850326
  C      -2.528503      1.610122      3.048477
  C      -3.002950      0.145786      3.065923
  C      -4.478190     -0.006691      3.497694
  C      -5.410983      0.281115      2.360421
  N      -5.781372      1.558769      2.180325
  C      -6.557074      1.850065      1.109217
  N      -7.022157      1.014390      0.199299
  C      -6.674938     -0.303613      0.361741
  C      -7.144150     -1.256038     -0.570046
  C      -6.795218     -2.591604     -0.443911
  C      -5.964727     -3.013561      0.614291
  C      -5.492908     -2.102794      1.544591
  C      -5.840752     -0.729712      1.448723
  C      -3.940731      6.356722      5.816808
  C      -3.595920      7.376019      4.717737
  C      -3.986461      6.902877      3.319154
  C      -5.478241      6.829445      3.079829
  N      -6.291522      7.302260      4.031838
  C      -7.624672      7.223530      3.812182
  N      -8.249804      6.734576      2.755672
  C      -7.442845      6.241955      1.762128
  C      -8.038545      5.679136      0.610888
  C      -7.247997      5.178535     -0.411730
  C      -5.842033      5.218114     -0.311094
  C      -5.230050      5.750215      0.812908
  C      -6.013006      6.273423      1.874503
  C      -5.988182      2.307089      7.045895
  C      -6.654436      3.635098      7.438222
  C      -8.181299      3.598470      7.440105
  C      -8.841917      3.550101      6.084995
  N      -8.074977      3.548467      4.993708
  C      -8.689514      3.505475      3.783844
  N      -9.983478      3.466019      3.539034
  C     -10.800617      3.481312      4.638823
  C     -12.202324      3.457753      4.454606
  C     -13.049356      3.472159      5.549514
  C     -12.525969      3.509242      6.859284
  C     -11.157866      3.534319      7.068534
  C     -10.265705      3.522120      5.966568
  H      -1.584375      1.664935      2.469564
  H      -3.266401      2.221700      2.508849
  H      -2.362078     -0.439890      3.743662
  H      -2.866766     -0.287052      2.061621
  H      -4.650508     -1.020267      3.884723
  H      -4.678790      0.695846      4.325664
  H      -6.815315      2.906777      0.986615
  H      -7.781823     -0.903421     -1.382104
  H      -7.161630     -3.321532     -1.167564
  H      -5.692214     -4.066767      0.700716
  H      -4.848344     -2.443941      2.355314
  H      -4.978930      6.028167      5.673326
  H      -3.915177      6.869159      6.798207
  H      -2.515046      7.588325      4.741987
  H      -4.119315      8.317139      4.942391
  H      -3.542448      7.561742      2.552091
  H      -3.531705      5.910846      3.133390
  H      -8.256507      7.610952      4.619405
  H      -9.128391      5.643119      0.568859
  H      -7.712983      4.735307     -1.293737
  H      -5.232706      4.809576     -1.118827
  H      -4.141431      5.769067      0.883478
  H      -6.266118      1.528927      7.784642
  H      -6.384914      1.974825      6.075767
  H      -6.306834      3.927917      8.441710
  H      -6.306804      4.418783      6.747709
  H      -8.538043      2.737795      8.035435
  H      -8.567196      4.489191      7.965747
  H      -8.021050      3.506353      2.918044
  H     -12.582546      3.430017      3.432634
  H     -14.130620      3.455460      5.401786
  H     -13.206603      3.519222      7.712233
  H     -10.763737      3.564630      8.084849
  N      -5.228991      3.681265      4.135639
  H      -6.160002      3.702668      4.604590
  H      -5.341984      2.946667      3.395441
  H      -5.166518      4.574967      3.634360
99
Coordinates from ORCA-job orca E -6204.953927425074
  N      -2.317283      2.197454      4.369722
  Mo     -3.537971      3.295254      5.517166
  N      -4.548591      2.391155      6.959328
  C      -3.842617      2.170088      8.220712
  C      -2.364081      1.953373      7.927921
  N      -1.888665      2.980600      6.961252
  C      -0.713434      2.519482      6.175503
  C      -1.169975      1.602041      5.052970
  C      -1.623602      4.292495      7.615253
  C      -1.822619      5.407681      6.593225
  N      -3.093451      5.184907      5.900265
  H      -0.325705      1.460846      4.350095
  H      -1.401236      0.595474      5.457667
  H      -0.247340      3.414779      5.742023
  H       0.025169      2.028003      6.834167
  H      -1.824501      6.376888      7.123382
  H      -0.970171      5.441098      5.888964
  H      -2.362305      4.416621      8.418899
  H      -0.613960      4.299164      8.064384
  H      -4.233373      1.274293      8.740133
  H      -3.973977      3.018323      8.924037
  H      -2.234330      0.974645      7.445126
  H      -1.754018      1.971911      8.848639
  C      -2.537787      1.636875      3.042557
  C      -2.991366      0.165969      3.038295
  C      -4.460418     -0.014347      3.480680
  C      -5.407065      0.276067      2.356118
  N      -5.806667      1.548477      2.204074
  C      -6.593588      1.844089      1.142244
  N      -7.046344      1.016283      0.218965
  C      -6.670669     -0.296870      0.353947
  C      -7.125999     -1.241456     -0.592789
  C      -6.747665     -2.571216     -0.494302
  C      -5.900489     -2.995490      0.549796
  C      -5.441799     -2.092528      1.494210
  C      -5.820465     -0.725820      1.426992
  C      -3.954185      6.359900      5.806956
  C      -3.586955      7.356855      4.694371
  C      -3.968997      6.869004      3.298361
  C      -5.458866      6.806329      3.045506
  N      -6.275420      7.300371      3.983970
  C      -7.607226      7.231282      3.754593
  N      -8.228641      6.733660      2.699787
  C      -7.418542      6.220831      1.719537
  C      -8.010787      5.649846      0.570467
  C      -7.217546      5.129903     -0.440324
  C      -5.812194      5.156323     -0.328891
  C      -5.203603      5.695413      0.794000
  C      -5.989058      6.239747      1.842876
  C      -6.004221      2.312997      7.059251
  C      -6.658485      3.642841      7.465412
  C      -8.185575      3.612098      7.474348
  C      -8.853329      3.569722      6.122469
  N      -8.092666      3.573376      5.026920
  C      -8.713950      3.535292      3.820402
  N     -10.009143      3.497336      3.582500
  C     -10.819941      3.507270      4.686813
  C     -12.222678      3.483807      4.510143
  C     -13.063668      3.492249      5.609629
  C     -12.533275      3.523668      6.916803
  C     -11.164117      3.548674      7.118687
  C     -10.277905      3.541717      6.011829
  H      -1.595164      1.712253      2.463112
  H      -3.284784      2.246460      2.513227
  H      -2.336103     -0.423120      3.699120
  H      -2.856856     -0.244615      2.024508
  H      -4.614219     -1.035506      3.855700
  H      -4.661582      0.674889      4.319458
  H      -6.872191      2.897737      1.040162
  H      -7.776785     -0.887374     -1.393781
  H      -7.103789     -3.294958     -1.229146
  H      -5.605016     -4.044025      0.613989
  H      -4.784143     -2.433669      2.294446
  H      -4.992970      6.036015      5.658111
  H      -3.935771      6.890836      6.778808
  H      -2.503593      7.555691      4.725463
  H      -4.098828      8.308427      4.900525
  H      -3.511190      7.513767      2.527360
  H      -3.520843      5.870883      3.128968
  H      -8.241720      7.635762      4.551203
  H      -9.100802      5.623995      0.520123
  H      -7.680536      4.680586     -1.320305
  H      -5.200924      4.731484     -1.126491
  H      -4.115253      5.703701      0.872655
  H      -6.285290      1.531882      7.793804
  H      -6.410469      1.993146      6.089014
  H      -6.304725      3.926367      8.469371
  H      -6.310923      4.430093      6.778896
  H      -8.542940      2.751485      8.069253
  H      -8.565474      4.503138      8.003932
  H      -8.050201      3.537859      2.951024
  H     -12.608347      3.460677      3.490124
  H     -14.145697      3.475268      5.467600
  H     -13.209334      3.529379      7.773331
  H     -10.764340      3.575184      8.132826
  N      -5.246831      3.682600      4.148029
  H      -6.173896      3.713808      4.623754
  H      -5.368950      2.942969      3.413824
  H      -5.183240      4.572025      3.639092
99
Coordinates from ORCA-job orca E -6204.954268706893
  N      -2.339455      2.203025      4.375478
  Mo     -3.562348      3.289449      5.531527
  N      -4.571348      2.383935      6.974443
  C      -3.861373      2.159474      8.232880
  C      -2.384168      1.941847      7.934269
  N      -1.912545      2.975232      6.971562
  C      -0.736778      2.520625      6.182060
  C      -1.190737      1.606748      5.055061
  C      -1.648479      4.284261      7.631458
  C      -1.859555      5.406163      6.618386
  N      -3.128482      5.177991      5.926214
  H      -0.344974      1.473748      4.352285
  H      -1.419477      0.596872      5.452269
  H      -0.274905      3.418724      5.749543
  H       0.004611      2.030573      6.838539
  H      -1.870810      6.370950      7.156997
  H      -1.007074      5.454502      5.914159
  H      -2.379749      4.400972      8.442834
  H      -0.635391      4.292755      8.072272
  H      -4.252975      1.264083      8.752422
  H      -3.987561      3.007314      8.937732
  H      -2.257095      0.966164      7.444639
  H      -1.770405      1.954690      8.852525
  C      -2.549154      1.667540      3.037042
  C      -2.977301      0.189385      3.001166
  C      -4.439975     -0.028196      3.448159
  C      -5.398831      0.269795      2.336773
  N      -5.842979      1.531600      2.227898
  C      -6.639647      1.834728      1.175181
  N      -7.066249      1.022375      0.226228
  C      -6.647154     -0.281057      0.318890
  C      -7.073386     -1.210783     -0.655887
  C      -6.649414     -2.529179     -0.599895
  C      -5.784721     -2.957050      0.428315
  C      -5.354145     -2.068875      1.399632
  C      -5.779979     -0.714701      1.375928
  C      -3.976665      6.357313      5.794201
  C      -3.586416      7.326449      4.664623
  C      -3.958190      6.819427      3.272386
  C      -5.445556      6.762917      3.004569
  N      -6.266925      7.283972      3.924610
  C      -7.596913      7.220357      3.684978
  N      -8.212803      6.703502      2.635890
  C      -7.397872      6.164545      1.674064
  C      -7.984322      5.573962      0.531905
  C      -7.186389      5.028786     -0.462200
  C      -5.782138      5.047538     -0.339031
  C      -5.179484      5.604930      0.778292
  C      -5.969153      6.176136      1.808905
  C      -6.026552      2.324721      7.086134
  C      -6.660631      3.660828      7.505747
  C      -8.188413      3.645838      7.525556
  C      -8.867272      3.604433      6.179180
  N      -8.115902      3.600089      5.077529
  C      -8.747590      3.560260      3.876436
  N     -10.044530      3.532241      3.648925
  C     -10.845876      3.553213      4.759419
  C     -12.249985      3.541759      4.593411
  C     -13.082309      3.560446      5.699259
  C     -12.541766      3.591354      7.002471
  C     -11.170943      3.605038      7.193795
  C     -10.293291      3.586593      6.080234
  H      -1.607818      1.769013      2.459027
  H      -3.305705      2.277113      2.521109
  H      -2.306881     -0.403866      3.642575
  H      -2.840976     -0.190829      1.975775
  H      -4.572033     -1.060540      3.801133
  H      -4.646258      0.639626      4.302457
  H      -6.950716      2.881501      1.104931
  H      -7.738362     -0.854545     -1.444135
  H      -6.983311     -3.241450     -1.356186
  H      -5.453488     -3.996459      0.458308
  H      -4.682836     -2.410410      2.188319
  H      -5.015768      6.036802      5.641536
  H      -3.966093      6.911331      6.753459
  H      -2.500610      7.510951      4.703064
  H      -4.085690      8.289189      4.847860
  H      -3.488422      7.450654      2.497183
  H      -3.513163      5.817056      3.120307
  H      -8.235171      7.646112      4.467275
  H      -9.074321      5.553703      0.472838
  H      -7.645510      4.563789     -1.336012
  H      -5.167669      4.600831     -1.121662
  H      -4.091744      5.605542      0.866291
  H      -6.312906      1.543229      7.818482
  H      -6.447016      2.019239      6.117609
  H      -6.297276      3.935786      8.508563
  H      -6.310711      4.448139      6.820487
  H      -8.550463      2.792224      8.127414
  H      -8.555156      4.543718      8.053181
  H      -8.091399      3.550315      3.001870
  H     -12.643535      3.519093      3.576397
  H     -14.165467      3.552127      5.565419
  H     -13.211266      3.606075      7.863986
  H     -10.763153      3.632805      8.204656
  N      -5.274973      3.672892      4.168296
  H      -6.195825      3.713309      4.654781
  H      -5.406431      2.927696      3.440965
  H      -5.213027      4.558129      3.651291
99
Coordinates from ORCA-job orca E -6204.954602425837
  N      -2.356381      2.212210      4.379702
  Mo     -3.582020      3.286509      5.543893
  N      -4.589975      2.376787      6.985583
  C      -3.876959      2.147684      8.241351
  C      -2.400493      1.931369      7.938157
  N      -1.932285      2.971676      6.980845
  C      -0.755402      2.524835      6.188073
  C      -1.205974      1.615309      5.055668
  C      -1.670724      4.277424      7.647833
  C      -1.891387      5.406039      6.643764
  N      -3.157721      5.173709      5.949696
  H      -0.358731      1.490820      4.353073
  H      -1.431726      0.601945      5.445206
  H      -0.297644      3.426443      5.758252
  H      -0.011560      2.035433      6.842209
  H      -1.911927      6.366021      7.191055
  H      -1.037895      5.468669      5.941209
  H      -2.396886      4.386182      8.464684
  H      -0.655338      4.287660      8.082889
  H      -4.268283      1.251035      8.758942
  H      -4.000266      2.993480      8.949253
  H      -2.274504      0.959204      7.441266
  H      -1.784186      1.938400      8.854727
  C      -2.558278      1.698423      3.032306
  C      -2.961315      0.214443      2.969216
  C      -4.415627     -0.036444      3.425848
  C      -5.389765      0.266943      2.329764
  N      -5.870990      1.517898      2.259452
  C      -6.682078      1.827067      1.219394
  N      -7.092365      1.029140      0.251284
  C      -6.636815     -0.264087      0.305764
  C      -7.045077     -1.179609     -0.690075
  C      -6.584148     -2.486535     -0.671984
  C      -5.699173     -2.917090      0.337798
  C      -5.285539     -2.043006      1.329036
  C      -5.749754     -0.701227      1.344416
  C      -3.991570      6.357600      5.780192
  C      -3.577464      7.297632      4.634313
  C      -3.941743      6.769957      3.247474
  C      -5.427186      6.723566      2.967187
  N      -6.249451      7.270450      3.871766
  C      -7.578104      7.217549      3.624009
  N      -8.192385      6.689917      2.579169
  C      -7.376914      6.125893      1.632555
  C      -7.962325      5.524883      0.495243
  C      -7.164344      4.954592     -0.484892
  C      -5.761258      4.955752     -0.350663
  C      -5.159634      5.522915      0.762765
  C      -5.948870      6.122021      1.777696
  C      -6.044621      2.331302      7.105693
  C      -6.664935      3.670758      7.536238
  C      -8.193029      3.665482      7.563781
  C      -8.879738      3.628379      6.221217
  N      -8.135072      3.625207      5.115260
  C      -8.773766      3.589286      3.917765
  N     -10.071842      3.566919      3.697498
  C     -10.866546      3.588346      4.812536
  C     -12.271590      3.583351      4.654229
  C     -13.097654      3.601881      5.764724
  C     -12.549877      3.626774      7.065122
  C     -11.177993      3.634410      7.248885
  C     -10.306554      3.615392      6.130480
  H      -1.619666      1.825096      2.454511
  H      -3.325637      2.305665      2.529434
  H      -2.274364     -0.381076      3.590619
  H      -2.827964     -0.139288      1.933992
  H      -4.526677     -1.077591      3.760101
  H      -4.623458      0.612343      4.294112
  H      -7.020575      2.866767      1.177719
  H      -7.726272     -0.821827     -1.463635
  H      -6.904714     -3.187904     -1.444091
  H      -5.339044     -3.947286      0.337364
  H      -4.598694     -2.384973      2.104063
  H      -5.031641      6.042625      5.623368
  H      -3.987076      6.933772      6.726505
  H      -2.489399      7.467231      4.679753
  H      -4.063430      8.271280      4.793893
  H      -3.459225      7.384529      2.466613
  H      -3.503541      5.761752      3.114652
  H      -8.216897      7.663461      4.394592
  H      -9.052187      5.516813      0.428363
  H      -7.623360      4.480658     -1.353950
  H      -5.147702      4.486077     -1.120295
  H      -4.072639      5.509044      0.859327
  H      -6.334345      1.548734      7.835617
  H      -6.475154      2.036990      6.138250
  H      -6.295238      3.938629      8.538588
  H      -6.313569      4.459210      6.853007
  H      -8.557716      2.814884      8.168153
  H      -8.551066      4.566301      8.092595
  H      -8.122649      3.576727      3.039421
  H     -12.670777      3.565471      3.639344
  H     -14.181560      3.598154      5.636807
  H     -13.214637      3.641855      7.930260
  H     -10.764474      3.658474      8.257468
  N      -5.297379      3.666233      4.185591
  H      -6.212799      3.718972      4.680927
  H      -5.438948      2.913735      3.467486
  H      -5.234911      4.545705      3.658805
99
Coordinates from ORCA-job orca E -6204.954836023836
  N      -2.375212      2.223555      4.390776
  Mo     -3.603389      3.279949      5.564081
  N      -4.610115      2.379248      7.012541
  C      -3.890998      2.152016      8.265671
  C      -2.416241      1.932220      7.955147
  N      -1.949734      2.973803      6.996607
  C      -0.774002      2.526359      6.201979
  C      -1.226334      1.621342      5.064970
  C      -1.689380      4.279069      7.663619
  C      -1.923255      5.408424      6.663470
  N      -3.187505      5.168957      5.969556
  H      -0.378001      1.501927      4.362822
  H      -1.454236      0.605717      5.446029
  H      -0.314800      3.426544      5.770001
  H      -0.030836      2.036178      6.855984
  H      -1.951495      6.367747      7.211797
  H      -1.069526      5.480954      5.960271
  H      -2.408618      4.379030      8.487711
  H      -0.670208      4.295434      8.089578
  H      -4.284092      1.258642      8.787273
  H      -4.008959      3.000334      8.971804
  H      -2.294887      0.960976      7.455542
  H      -1.794721      1.936595      8.868256
  C      -2.568394      1.743308      3.029835
  C      -2.945291      0.255117      2.933398
  C      -4.389403     -0.033098      3.399121
  C      -5.381769      0.290955      2.325579
  N      -5.918724      1.521343      2.324415
  C      -6.753111      1.845290      1.307428
  N      -7.137372      1.081452      0.302511
  C      -6.625486     -0.191699      0.286619
  C      -7.005292     -1.074048     -0.749432
  C      -6.489372     -2.359508     -0.799839
  C      -5.576941     -2.800837      0.180351
  C      -5.189720     -1.959555      1.209622
  C      -5.709474     -0.640585      1.294815
  C      -4.002447      6.358315      5.753663
  C      -3.561314      7.249093      4.578700
  C      -3.917784      6.677507      3.206703
  C      -5.402166      6.634407      2.917198
  N      -6.222845      7.222255      3.799166
  C      -7.550527      7.179059      3.546755
  N      -8.165361      6.630402      2.512706
  C      -7.352327      6.025283      1.588893
  C      -7.938653      5.403320      0.463298
  C      -7.143436      4.787465     -0.492670
  C      -5.743340      4.756993     -0.340781
  C      -5.140477      5.347030      0.760287
  C      -5.925744      5.999063      1.745757
  C      -6.064585      2.338095      7.141604
  C      -6.674973      3.683557      7.573088
  C      -8.204254      3.694223      7.608513
  C      -8.900587      3.659043      6.271048
  N      -8.163526      3.660104      5.160740
  C      -8.809403      3.630769      3.966605
  N     -10.108243      3.616193      3.753985
  C     -10.896115      3.638193      4.873897
  C     -12.301840      3.646145      4.723304
  C     -13.121464      3.665243      5.838873
  C     -12.566175      3.678382      7.136360
  C     -11.193166      3.673890      7.312443
  C     -10.328270      3.653925      6.189271
  H      -1.636244      1.899711      2.448761
  H      -3.348940      2.352693      2.548781
  H      -2.240005     -0.342380      3.531366
  H      -2.819696     -0.069560      1.887461
  H      -4.479884     -1.087890      3.695627
  H      -4.601875      0.581345      4.291082
  H      -7.138417      2.868927      1.318588
  H      -7.709545     -0.709346     -1.498531
  H      -6.788521     -3.035983     -1.602523
  H      -5.173893     -3.813766      0.125219
  H      -4.482462     -2.309667      1.961999
  H      -5.044869      6.051411      5.596446
  H      -4.002863      6.968586      6.678307
  H      -2.471200      7.402670      4.631045
  H      -4.034246      8.235184      4.694496
  H      -3.427785      7.268659      2.412094
  H      -3.482258      5.664896      3.104950
  H      -8.187405      7.653362      4.302232
  H      -9.027662      5.412747      0.386512
  H      -7.603992      4.291967     -1.348648
  H      -5.135941      4.239561     -1.084065
  H      -4.055842      5.306815      0.871354
  H      -6.354156      1.558416      7.874342
  H      -6.503862      2.045966      6.177130
  H      -6.301340      3.953099      8.573391
  H      -6.320021      4.467397      6.886493
  H      -8.574849      2.852440      8.221228
  H      -8.549225      4.603102      8.132610
  H      -8.164120      3.619083      3.083760
  H     -12.707028      3.637797      3.710659
  H     -14.206075      3.671302      5.717311
  H     -13.226010      3.694374      8.005452
  H     -10.774229      3.690182      8.319087
  N      -5.328538      3.642342      4.221306
  H      -6.235283      3.705742      4.732283
  H      -5.478244      2.881794      3.514095
  H      -5.270601      4.518134      3.688104
99
Coordinates from ORCA-job orca E -6204.955295109104
  N      -2.395154      2.230233      4.391190
  Mo     -3.624075      3.279366      5.571733
  N      -4.627082      2.368604      7.017755
  C      -3.903607      2.132826      8.266380
  C      -2.429727      1.917930      7.950099
  N      -1.969037      2.968621      6.999557
  C      -0.792441      2.533224      6.199763
  C      -1.240794      1.631648      5.058985
  C      -1.712080      4.269674      7.676022
  C      -1.951175      5.406529      6.685948
  N      -3.213540      5.166390      5.988401
  H      -0.392898      1.521492      4.354765
  H      -1.461098      0.612526      5.435388
  H      -0.340797      3.439567      5.772935
  H      -0.044357      2.044181      6.849082
  H      -1.987023      6.359631      7.244955
  H      -1.096274      5.492024      5.985892
  H      -2.429092      4.363005      8.502700
  H      -0.692085      4.285673      8.099657
  H      -4.293080      1.234835      8.782900
  H      -4.019864      2.975781      8.979112
  H      -2.307931      0.951384      7.441381
  H      -1.805805      1.915533      8.861543
  C      -2.583411      1.759116      3.026789
  C      -2.940563      0.266828      2.916105
  C      -4.378475     -0.046643      3.385183
  C      -5.378795      0.267053      2.316057
  N      -5.937441      1.487554      2.325428
  C      -6.775808      1.806144      1.310099
  N      -7.144906      1.044817      0.297570
  C      -6.610206     -0.218529      0.270591
  C      -6.970895     -1.096816     -0.775765
  C      -6.430587     -2.371577     -0.838300
  C      -5.511760     -2.805930      0.139129
  C      -5.142652     -1.968178      1.177946
  C      -5.688045     -0.660594      1.275874
  C      -4.011375      6.361278      5.742624
  C      -3.549416      7.231381      4.559964
  C      -3.906714      6.653007      3.191293
  C      -5.389496      6.631014      2.892351
  N      -6.206936      7.237923      3.764277
  C      -7.533316      7.212046      3.503574
  N      -8.149957      6.665275      2.469436
  C      -7.340013      6.042965      1.554692
  C      -7.928333      5.423259      0.428830
  C      -7.136361      4.790082     -0.517949
  C      -5.737802      4.739836     -0.356642
  C      -5.133213      5.326757      0.745190
  C      -5.914754      5.996109      1.721540
  C      -6.080395      2.342028      7.156367
  C      -6.676222      3.689021      7.601199
  C      -8.204561      3.707071      7.644798
  C      -8.904706      3.676359      6.309592
  N      -8.169737      3.676177      5.197898
  C      -8.817734      3.651099      4.005131
  N     -10.117260      3.639615      3.795087
  C     -10.902860      3.660223      4.916784
  C     -12.309005      3.668903      4.769239
  C     -13.126180      3.686474      5.886373
  C     -12.568221      3.697475      7.182808
  C     -11.194992      3.692141      7.356011
  C     -10.332470      3.673289      6.230874
  H      -1.652183      1.932128      2.448701
  H      -3.370737      2.361996      2.549114
  H      -2.224187     -0.327242      3.504513
  H      -2.814051     -0.044210      1.866304
  H      -4.451138     -1.103863      3.678103
  H      -4.595901      0.561100      4.280557
  H      -7.176223      2.823411      1.328845
  H      -7.679904     -0.737207     -1.522981
  H      -6.714902     -3.044813     -1.648883
  H      -5.089452     -3.810258      0.074362
  H      -4.429462     -2.311700      1.927902
  H      -5.055748      6.064081      5.580782
  H      -4.011559      6.985367      6.658068
  H      -2.457269      7.367810      4.616900
  H      -4.005498      8.226670      4.663781
  H      -3.400973      7.227324      2.394256
  H      -3.487071      5.632154      3.102408
  H      -8.168024      7.699010      4.252643
  H      -9.016649      5.449864      0.344252
  H      -7.598997      4.298181     -1.374803
  H      -5.132467      4.211097     -1.093415
  H      -4.049678      5.272394      0.862734
  H      -6.372227      1.560209      7.885994
  H      -6.529346      2.060754      6.193195
  H      -6.294237      3.948747      8.600967
  H      -6.320822      4.475353      6.917486
  H      -8.576948      2.866281      8.257647
  H      -8.542759      4.617134      8.171093
  H      -8.173574      3.637696      3.121708
  H     -12.716200      3.662053      3.757376
  H     -14.211034      3.692931      5.766957
  H     -13.226251      3.712315      8.053188
  H     -10.773678      3.706602      8.361636
  N      -5.348997      3.641869      4.228322
  H      -6.253381      3.714585      4.741575
  H      -5.506651      2.875712      3.528236
  H      -5.290276      4.511957      3.685410
99
Coordinates from ORCA-job orca E -6204.955724757000
  N      -2.407027      2.237419      4.396570
  Mo     -3.636619      3.280867      5.580574
  N      -4.637559      2.364712      7.025355
  C      -3.910952      2.123979      8.271015
  C      -2.437237      1.913716      7.951401
  N      -1.979571      2.969451      7.005356
  C      -0.802493      2.540718      6.202965
  C      -1.248937      1.640975      5.060175
  C      -1.725669      4.269309      7.686021
  C      -1.967157      5.409152      6.700373
  N      -3.227928      5.167225      5.999791
  H      -0.401974      1.535592      4.354163
  H      -1.464569      0.620049      5.434510
  H      -0.354740      3.450442      5.779453
  H      -0.051883      2.051925      6.849593
  H      -2.008388      6.359375      7.264052
  H      -1.111274      5.501760      6.002671
  H      -2.442580      4.358525      8.513172
  H      -0.705604      4.286478      8.109209
  H      -4.297016      1.222440      8.783973
  H      -4.027612      2.962944      8.988300
  H      -2.314503      0.949953      7.437577
  H      -1.812121      1.907661      8.862007
  C      -2.594080      1.771675      3.030213
  C      -2.940040      0.277528      2.910366
  C      -4.373860     -0.050188      3.382255
  C      -5.380664      0.265789      2.319351
  N      -5.952922      1.479736      2.347945
  C      -6.797604      1.803889      1.339868
  N      -7.160316      1.053445      0.316809
  C      -6.610256     -0.202811      0.268981
  C      -6.962146     -1.068223     -0.790868
  C      -6.406634     -2.335260     -0.874846
  C      -5.480862     -2.774074      0.094021
  C      -5.119968     -1.948692      1.145624
  C      -5.680970     -0.649625      1.265636
  C      -4.014850      6.364422      5.729938
  C      -3.540517      7.213353      4.536861
  C      -3.896301      6.618555      3.174535
  C      -5.376725      6.608303      2.863415
  N      -6.196678      7.231686      3.721087
  C      -7.520687      7.214112      3.447872
  N      -8.132480      6.664446      2.412292
  C      -7.319723      6.026526      1.511254
  C      -7.902857      5.403158      0.384771
  C      -7.107945      4.753609     -0.547739
  C      -5.711388      4.691888     -0.372453
  C      -5.111917      5.282019      0.730643
  C      -5.896701      5.967092      1.693506
  C      -6.090279      2.343679      7.168777
  C      -6.679518      3.689964      7.622820
  C      -8.207262      3.711871      7.671724
  C      -8.911599      3.692409      6.338290
  N      -8.180021      3.706750      5.224183
  C      -8.831509      3.693139      4.033187
  N     -10.131839      3.677778      3.827113
  C     -10.913976      3.680314      4.951616
  C     -12.320666      3.680470      4.808787
  C     -13.134129      3.680010      5.928592
  C     -12.571925      3.680690      7.223223
  C     -11.198227      3.682998      7.391930
  C     -10.339394      3.682550      6.263790
  H      -1.664675      1.955954      2.452759
  H      -3.386307      2.370552      2.556208
  H      -2.216544     -0.315222      3.491655
  H      -2.815683     -0.026231      1.858324
  H      -4.437725     -1.110395      3.666753
  H      -4.593903      0.547605      4.283627
  H      -7.209840      2.816136      1.374960
  H      -7.676696     -0.705012     -1.531130
  H      -6.684054     -2.998591     -1.695766
  H      -5.046825     -3.772097      0.012779
  H      -4.400934     -2.295859      1.888408
  H      -5.060499      6.073001      5.565958
  H      -4.014434      7.001921      6.636026
  H      -2.447536      7.341438      4.596665
  H      -3.988306      8.213928      4.624117
  H      -3.378016      7.174566      2.372709
  H      -3.488171      5.591420      3.104332
  H      -8.158086      7.714374      4.185490
  H      -8.989912      5.441309      0.288353
  H      -7.566763      4.260624     -1.405962
  H      -5.103467      4.152923     -1.099911
  H      -4.029836      5.220305      0.858575
  H      -6.382049      1.558968      7.895300
  H      -6.543052      2.067833      6.205983
  H      -6.293002      3.941605      8.622930
  H      -6.323273      4.479077      6.942597
  H      -8.579805      2.867871      8.280015
  H      -8.541284      4.619255      8.205331
  H      -8.189636      3.695273      3.147966
  H     -12.731179      3.681690      3.798249
  H     -14.219376      3.680029      5.812785
  H     -13.227078      3.681009      8.095796
  H     -10.773571      3.688513      8.396219
  N      -5.360987      3.642822      4.237022
  H      -6.263242      3.730876      4.751547
  H      -5.528444      2.869848      3.546360
  H      -5.296003      4.505249      3.682449
99
Coordinates from ORCA-job orca E -6204.956223691549
  N      -2.428103      2.241735      4.412091
  Mo     -3.655345      3.281432      5.598601
  N      -4.643251      2.357714      7.048874
  C      -3.905743      2.116238      8.287626
  C      -2.432852      1.918647      7.958855
  N      -1.983710      2.976624      7.012719
  C      -0.809592      2.554147      6.204401
  C      -1.259537      1.652732      5.065343
  C      -1.736014      4.280694      7.690697
  C      -1.977360      5.416933      6.703482
  N      -3.238756      5.170898      6.000965
  H      -0.420329      1.549100      4.350221
  H      -1.464217      0.631507      5.445870
  H      -0.367408      3.467973      5.784503
  H      -0.053680      2.064914      6.844736
  H      -2.021363      6.367956      7.265547
  H      -1.122594      5.510185      6.006069
  H      -2.457790      4.367304      8.514255
  H      -0.717031      4.302915      8.116585
  H      -4.278474      1.207943      8.798664
  H      -4.026280      2.949548      9.010693
  H      -2.306972      0.956337      7.442999
  H      -1.803948      1.913580      8.867017
  C      -2.616974      1.771095      3.045982
  C      -2.962431      0.276203      2.928512
  C      -4.399660     -0.057830      3.384199
  C      -5.401508      0.259574      2.314194
  N      -5.990916      1.464538      2.360605
  C      -6.835998      1.794901      1.355974
  N      -7.176353      1.061211      0.312947
  C      -6.601569     -0.183430      0.241217
  C      -6.923775     -1.026296     -0.845203
  C      -6.345468     -2.281628     -0.954136
  C      -5.427055     -2.729177      0.017444
  C      -5.094409     -1.924778      1.094537
  C      -5.676819     -0.638253      1.239055
  C      -4.017980      6.371605      5.711806
  C      -3.541599      7.196838      4.503683
  C      -3.905869      6.576510      3.155835
  C      -5.384373      6.580719      2.837498
  N      -6.209522      7.218883      3.678300
  C      -7.529969      7.206679      3.385781
  N      -8.131776      6.654143      2.345547
  C      -7.312151      5.999858      1.462201
  C      -7.882723      5.368838      0.333663
  C      -7.078740      4.696934     -0.573674
  C      -5.685191      4.626441     -0.374846
  C      -5.098506      5.226190      0.728888
  C      -5.893814      5.929935      1.669183
  C      -6.095668      2.332567      7.200878
  C      -6.677800      3.679253      7.658802
  C      -8.203489      3.717292      7.712363
  C      -8.908235      3.715319      6.378769
  N      -8.175114      3.743564      5.265016
  C      -8.825859      3.754317      4.073692
  N     -10.126661      3.739707      3.866772
  C     -10.909702      3.720089      4.991024
  C     -12.316180      3.716374      4.847721
  C     -13.129745      3.697287      5.967105
  C     -12.567425      3.681262      7.261450
  C     -11.193976      3.685810      7.430625
  C     -10.335157      3.705180      6.302608
  H      -1.687167      1.958340      2.471291
  H      -3.407791      2.366877      2.567106
  H      -2.242932     -0.311775      3.520422
  H      -2.831077     -0.039407      1.881240
  H      -4.461835     -1.120731      3.659816
  H      -4.639871      0.527354      4.288410
  H      -7.269172      2.797625      1.411448
  H      -7.633864     -0.655444     -1.586072
  H      -6.598739     -2.927675     -1.796181
  H      -4.975351     -3.717671     -0.081082
  H      -4.378849     -2.282090      1.836093
  H      -5.067067      6.089918      5.550206
  H      -4.006958      7.021204      6.608611
  H      -2.448149      7.321059      4.557841
  H      -3.986521      8.200443      4.570654
  H      -3.376513      7.103580      2.342296
  H      -3.517548      5.539709      3.114710
  H      -8.174749      7.714878      4.111262
  H      -8.967123      5.419047      0.218437
  H      -7.526545      4.199523     -1.434989
  H      -5.067653      4.076960     -1.086700
  H      -4.018893      5.162597      0.874456
  H      -6.381288      1.546227      7.927814
  H      -6.548945      2.050028      6.240261
  H      -6.283680      3.921120      8.658497
  H      -6.314434      4.466610      6.979837
  H      -8.583409      2.873133      8.315779
  H      -8.526372      4.625039      8.252078
  H      -8.182608      3.779246      3.189946
  H     -12.726661      3.730206      3.837226
  H     -14.214992      3.695279      5.851394
  H     -13.222442      3.665976      8.134020
  H     -10.769513      3.675746      8.435013
  N      -5.384578      3.630876      4.257512
  H      -6.289075      3.726869      4.767481
  H      -5.553714      2.850967      3.575058
  H      -5.316456      4.485790      3.691097
99
Coordinates from ORCA-job orca E -6204.956685433112
  N      -2.441181      2.259311      4.412368
  Mo     -3.670333      3.286438      5.605639
  N      -4.656516      2.354019      7.052013
  C      -3.916430      2.105205      8.287745
  C      -2.443368      1.913184      7.955409
  N      -1.997249      2.979157      7.016803
  C      -0.821646      2.566613      6.205465
  C      -1.268914      1.671283      5.059891
  C      -1.755849      4.279536      7.703198
  C      -1.998665      5.421313      6.722684
  N      -3.255221      5.174618      6.012516
  H      -0.430318      1.576713      4.342862
  H      -1.468580      0.646434      5.432883
  H      -0.382240      3.484601      5.791475
  H      -0.064109      2.075636      6.842486
  H      -2.050734      6.368140      7.291161
  H      -1.140714      5.524626      6.029824
  H      -2.479761      4.357435      8.525662
  H      -0.737885      4.303091      8.131279
  H      -4.286461      1.192340      8.792667
  H      -4.037959      2.932719      9.017442
  H      -2.316093      0.955114      7.432053
  H      -1.813391      1.902319      8.862831
  C      -2.629421      1.802727      3.041453
  C      -2.954586      0.305662      2.907942
  C      -4.382604     -0.051080      3.373998
  C      -5.398630      0.271151      2.318876
  N      -6.009216      1.464453      2.394861
  C      -6.868557      1.799433      1.403869
  N      -7.204582      1.080837      0.348973
  C      -6.608126     -0.151484      0.247219
  C      -6.924975     -0.978441     -0.852869
  C      -6.326260     -2.221321     -0.991157
  C      -5.392371     -2.671888     -0.035812
  C      -5.064321     -1.883000      1.054117
  C      -5.667152     -0.609504      1.228361
  C      -4.020576      6.377148      5.697098
  C      -3.523518      7.174401      4.478381
  C      -3.878541      6.527298      3.140132
  C      -5.353693      6.540696      2.806448
  N      -6.179027      7.201809      3.629352
  C      -7.496773      7.201054      3.324938
  N      -8.095115      6.640720      2.287039
  C      -7.275674      5.961508      1.422337
  C      -7.844263      5.319641      0.298940
  C      -7.041094      4.622440     -0.590106
  C      -5.651132      4.534643     -0.375955
  C      -5.066376      5.144315      0.723766
  C      -5.860378      5.876054      1.644021
  C      -6.108911      2.334094      7.208187
  C      -6.685091      3.680789      7.674034
  C      -8.210773      3.722597      7.734213
  C      -8.922952      3.728125      6.404369
  N      -8.196489      3.768498      5.286568
  C      -8.854381      3.785425      4.099170
  N     -10.155993      3.767827      3.899233
  C     -10.932430      3.736492      5.027693
  C     -12.339607      3.728287      4.892034
  C     -13.146863      3.697098      6.015838
  C     -12.577199      3.673070      7.306904
  C     -11.202824      3.681617      7.468584
  C     -10.350273      3.713272      6.336004
  H      -1.705214      2.010115      2.464306
  H      -3.431306      2.393424      2.573979
  H      -2.221330     -0.280423      3.484494
  H      -2.830227      0.004736      1.855407
  H      -4.430084     -1.119014      3.633536
  H      -4.622064      0.516998      4.289170
  H      -7.319808      2.792584      1.482276
  H      -7.647763     -0.605702     -1.580397
  H      -6.575709     -2.855237     -1.843514
  H      -4.925012     -3.650546     -0.157048
  H      -4.337322     -2.243047      1.783164
  H      -5.070229      6.101981      5.528989
  H      -4.013029      7.042061      6.582737
  H      -2.429822      7.291815      4.542032
  H      -3.961721      8.182290      4.518947
  H      -3.335021      7.030406      2.320680
  H      -3.501125      5.485824      3.126916
  H      -8.142048      7.727820      4.036731
  H      -8.926973      5.381758      0.173551
  H      -7.487663      4.115585     -1.446486
  H      -5.035836      3.962371     -1.071599
  H      -3.989569      5.065777      0.882318
  H      -6.394990      1.544738      7.931734
  H      -6.566239      2.058228      6.247503
  H      -6.286744      3.917357      8.673310
  H      -6.321267      4.469529      6.996897
  H      -8.589934      2.876954      8.335862
  H      -8.528797      4.628792      8.279585
  H      -8.216461      3.820256      3.211870
  H     -12.755771      3.748506      3.883983
  H     -14.232734      3.691644      5.906234
  H     -13.227294      3.648314      8.182958
  H     -10.772864      3.665306      8.470551
  N      -5.402595      3.633657      4.271632
  H      -6.303470      3.737705      4.786678
  H      -5.577527      2.849107      3.595577
  H      -5.333114      4.484242      3.699153
99
Coordinates from ORCA-job orca E -6204.957149495664
  N      -2.448985      2.286354      4.402282
  Mo     -3.681218      3.295642      5.604883
  N      -4.664046      2.345040      7.042299
  C      -3.922919      2.085648      8.275164
  C      -2.448686      1.903881      7.940414
  N      -2.006210      2.981174      7.012964
  C      -0.828284      2.582544      6.197874
  C      -1.272490      1.698327      5.041665
  C      -1.774044      4.275516      7.711950
  C      -2.014415      5.425282      6.740261
  N      -3.264206      5.181685      6.018883
  H      -0.435198      1.616595      4.321749
  H      -1.466206      0.668284      5.402802
  H      -0.390497      3.506161      5.794425
  H      -0.069940      2.086591      6.830026
  H      -2.074316      6.366666      7.317005
  H      -1.151929      5.539006      6.053543
  H      -2.504261      4.342139      8.529853
  H      -0.759035      4.299369      8.147248
  H      -4.288637      1.164980      8.769133
  H      -4.048954      2.903325      9.015344
  H      -2.317271      0.951785      7.407355
  H      -1.818967      1.885770      8.848018
  C      -2.638916      1.845090      3.026435
  C      -2.948709      0.346979      2.883498
  C      -4.366947     -0.026433      3.364303
  C      -5.400653      0.292312      2.326031
  N      -6.030856      1.474507      2.420644
  C      -6.910136      1.800649      1.443983
  N      -7.247942      1.084457      0.388080
  C      -6.631621     -0.136165      0.268495
  C      -6.949483     -0.961448     -0.832610
  C      -6.332960     -2.193846     -0.986476
  C      -5.380527     -2.635672     -0.045553
  C      -5.050703     -1.848161      1.044868
  C      -5.669904     -0.584572      1.233583
  C      -4.019591      6.387058      5.692784
  C      -3.505556      7.166536      4.469047
  C      -3.846456      6.495818      3.138313
  C      -5.317553      6.516079      2.786867
  N      -6.144995      7.197398      3.591369
  C      -7.459365      7.207915      3.272576
  N      -8.051388      6.639445      2.235783
  C      -7.230004      5.937035      1.390832
  C      -7.793627      5.284190      0.271205
  C      -6.988831      4.562946     -0.597949
  C      -5.603767      4.458719     -0.364471
  C      -5.024059      5.078761      0.732218
  C      -5.818635      5.838295      1.629272
  C      -6.117443      2.324335      7.199094
  C      -6.692848      3.668749      7.675174
  C      -8.219032      3.712051      7.740081
  C      -8.938460      3.731863      6.414261
  N      -8.219356      3.795867      5.292799
  C      -8.885313      3.827551      4.110026
  N     -10.187512      3.805590      3.917239
  C     -10.956763      3.752031      5.049568
  C     -12.364541      3.738903      4.921717
  C     -13.165218      3.686602      6.049841
  C     -12.587732      3.645856      7.337042
  C     -11.212327      3.658363      7.490937
  C     -10.366275      3.711131      6.354090
  H      -1.720757      2.068321      2.445039
  H      -3.450722      2.433136      2.570843
  H      -2.203748     -0.235942      3.447682
  H      -2.832639      0.055318      1.827218
  H      -4.400787     -1.097244      3.614511
  H      -4.601392      0.531489      4.286614
  H      -7.379856      2.783734      1.535612
  H      -7.687950     -0.596187     -1.547921
  H      -6.583557     -2.826697     -1.839517
  H      -4.899871     -3.606567     -0.178158
  H      -4.310361     -2.202222      1.763177
  H      -5.069585      6.117835      5.519325
  H      -4.014451      7.059360      6.572922
  H      -2.412628      7.284248      4.543744
  H      -3.944004      8.174933      4.488069
  H      -3.287783      6.976029      2.315381
  H      -3.479517      5.450746      3.153434
  H      -8.106498      7.752614      3.969484
  H      -8.874066      5.356461      0.133870
  H      -7.431609      4.045377     -1.449854
  H      -4.989061      3.863705     -1.041217
  H      -3.951501      4.983096      0.908773
  H      -6.403155      1.529106      7.916442
  H      -6.575728      2.056356      6.236498
  H      -6.292356      3.898192      8.675211
  H      -6.328933      4.461437      7.002638
  H      -8.596829      2.861105      8.334915
  H      -8.533710      4.613002      8.296151
  H      -8.253778      3.880862      3.218942
  H     -12.786683      3.772711      3.916528
  H     -14.251714      3.677590      5.946676
  H     -13.232622      3.605046      8.216519
  H     -10.776757      3.629255      8.490199
  N      -5.421450      3.638021      4.283589
  H      -6.318864      3.742880      4.805259
  H      -5.596294      2.849748      3.612082
  H      -5.355113      4.486818      3.708302
99
Coordinates from ORCA-job orca E -6204.957590387819
  N      -2.468526      2.306745      4.398585
  Mo     -3.701559      3.302221      5.610510
  N      -4.677756      2.337950      7.044252
  C      -3.931673      2.070053      8.272120
  C      -2.457704      1.897307      7.931195
  N      -2.021852      2.984116      7.011891
  C      -0.843820      2.597275      6.191421
  C      -1.286449      1.720525      5.028845
  C      -1.795020      4.274233      7.719772
  C      -2.038091      5.430207      6.756346
  N      -3.284562      5.186822      6.029758
  H      -0.451307      1.650380      4.305244
  H      -1.472691      0.686138      5.381405
  H      -0.410218      3.525835      5.794954
  H      -0.082438      2.099261      6.818257
  H      -2.104381      6.366638      7.340597
  H      -1.174246      5.554052      6.072879
  H      -2.526399      4.332862      8.537258
  H      -0.780640      4.298944      8.156586
  H      -4.291872      1.143133      8.758532
  H      -4.058794      2.879712      9.020877
  H      -2.324243      0.950466      7.389347
  H      -1.825375      1.873327      8.836836
  C      -2.658578      1.880040      3.017943
  C      -2.950546      0.379941      2.859651
  C      -4.360864     -0.016869      3.344549
  C      -5.405710      0.299524      2.316970
  N      -6.060610      1.466202      2.434427
  C      -6.951589      1.788599      1.467108
  N      -7.278744      1.082762      0.400839
  C      -6.637201     -0.122051      0.258242
  C      -6.942417     -0.936201     -0.854763
  C      -6.300534     -2.152494     -1.030994
  C      -5.334863     -2.589130     -0.101180
  C      -5.016773     -1.812231      1.000322
  C      -5.661630     -0.565074      1.211573
  C      -4.028824      6.394235      5.686530
  C      -3.499855      7.153202      4.456172
  C      -3.827879      6.459019      3.134343
  C      -5.293912      6.482509      2.763150
  N      -6.127084      7.183151      3.544870
  C      -7.437062      7.197253      3.208782
  N      -8.019244      6.614703      2.174086
  C      -7.191729      5.891710      1.352623
  C      -7.745381      5.221839      0.238079
  C      -6.934669      4.477407     -0.605826
  C      -5.554188      4.365921     -0.350555
  C      -4.984290      5.002801      0.741665
  C      -5.784494      5.786875      1.611780
  C      -6.130524      2.322632      7.209136
  C      -6.696445      3.667088      7.697189
  C      -8.221917      3.717666      7.770437
  C      -8.947099      3.747210      6.448518
  N      -8.232347      3.820590      5.324926
  C      -8.903168      3.862755      4.145259
  N     -10.206173      3.843225      3.957592
  C     -10.970962      3.780052      5.092547
  C     -12.379219      3.769197      4.970108
  C     -13.175544      3.707916      6.100884
  C     -12.592996      3.656047      7.385375
  C     -11.216991      3.666110      7.533933
  C     -10.375239      3.727501      6.394266
  H      -1.745482      2.120979      2.435668
  H      -3.478877      2.464321      2.572453
  H      -2.195094     -0.199734      3.412997
  H      -2.836455      0.101892      1.799498
  H      -4.379446     -1.091103      3.581606
  H      -4.596363      0.527234      4.274667
  H      -7.442103      2.759501      1.576205
  H      -7.691801     -0.575432     -1.560939
  H      -6.541459     -2.776738     -1.893143
  H      -4.834383     -3.547414     -0.251167
  H      -4.266275     -2.161996      1.710071
  H      -5.079855      6.130998      5.509953
  H      -4.023708      7.077051      6.558470
  H      -2.407503      7.269529      4.540460
  H      -3.936042      8.162734      4.453620
  H      -3.254367      6.916656      2.308950
  H      -3.469811      5.411407      3.177310
  H      -8.089514      7.756981      3.888647
  H      -8.823367      5.299551      0.085113
  H      -7.369976      3.946282     -1.453215
  H      -4.935453      3.751835     -1.006050
  H      -3.915603      4.899448      0.936745
  H      -6.415896      1.523996      7.922671
  H      -6.595725      2.063483      6.247399
  H      -6.289375      3.888607      8.696289
  H      -6.332212      4.461889      7.027245
  H      -8.601237      2.866160      8.363385
  H      -8.528951      4.618127      8.331559
  H      -8.275504      3.923736      3.251898
  H     -12.805247      3.811819      3.966908
  H     -14.262445      3.700448      6.001968
  H     -13.234450      3.608663      8.267030
  H     -10.777658      3.628830      8.531242
  N      -5.449062      3.640095      4.298877
  H      -6.343110      3.748127      4.825571
  H      -5.626460      2.848316      3.632394
  H      -5.385860      4.486108      3.718744
99
Coordinates from ORCA-job orca E -6204.958019561428
  N      -2.479621      2.321019      4.394895
  Mo     -3.712929      3.310567      5.611566
  N      -4.684881      2.334373      7.041382
  C      -3.936535      2.058885      8.265935
  C      -2.462524      1.893783      7.922015
  N      -2.031277      2.987673      7.009445
  C      -0.852838      2.609035      6.185908
  C      -1.293550      1.737015      5.019328
  C      -1.808115      4.274375      7.724441
  C      -2.050020      5.435258      6.767027
  N      -3.293534      5.193896      6.034357
  H      -0.459733      1.675260      4.293424
  H      -1.473778      0.699621      5.366443
  H      -0.422100      3.541071      5.794826
  H      -0.089640      2.109666      6.809502
  H      -2.120109      6.367840      7.357146
  H      -1.184260      5.565226      6.087470
  H      -2.542081      4.328797      8.540059
  H      -0.795153      4.298380      8.164831
  H      -4.292423      1.126400      8.744932
  H      -4.065678      2.861193      9.022126
  H      -2.326592      0.951008      7.373725
  H      -1.829157      1.865633      8.826777
  C      -2.671585      1.898693      3.012747
  C      -2.958754      0.397627      2.848291
  C      -4.365181     -0.007252      3.338269
  C      -5.418047      0.306904      2.318008
  N      -6.083188      1.466541      2.445580
  C      -6.984409      1.784455      1.486268
  N      -7.311814      1.080553      0.418847
  C      -6.659631     -0.117051      0.265656
  C      -6.964345     -0.928777     -0.849404
  C      -6.311524     -2.137562     -1.035953
  C      -5.335343     -2.569263     -0.114908
  C      -5.017535     -1.794656      0.988304
  C      -5.673135     -0.554952      1.209828
  C      -4.030098      6.404081      5.682020
  C      -3.491721      7.154589      4.450551
  C      -3.808863      6.450480      3.132010
  C      -5.269738      6.478229      2.742312
  N      -6.110506      7.188647      3.506984
  C      -7.416099      7.202947      3.154477
  N      -7.987331      6.610224      2.119094
  C      -7.151606      5.876984      1.315103
  C      -7.693250      5.194825      0.202191
  C      -6.874545      4.436823     -0.621515
  C      -5.497731      4.325425     -0.347890
  C      -4.939169      4.976288      0.741851
  C      -5.747847      5.772577      1.592170
  C      -6.137027      2.320152      7.210691
  C      -6.699676      3.662249      7.709126
  C      -8.224498      3.712367      7.787632
  C      -8.952706      3.754050      6.468248
  N      -8.240819      3.849708      5.344587
  C      -8.914593      3.906131      4.167190
  N     -10.218148      3.878492      3.982350
  C     -10.979883      3.790174      5.117903
  C     -12.388316      3.767999      4.998476
  C     -13.181449      3.682663      6.129879
  C     -12.595449      3.617432      7.412090
  C     -11.219276      3.637644      7.557610
  C     -10.380748      3.723222      6.417181
  H      -1.761125      2.146057      2.429390
  H      -3.494948      2.481136      2.571920
  H      -2.198628     -0.181737      3.395528
  H      -2.847456      0.125842      1.786348
  H      -4.377837     -1.082178      3.571974
  H      -4.595669      0.533627      4.271345
  H      -7.483577      2.750100      1.603568
  H      -7.722038     -0.571994     -1.548680
  H      -6.551910     -2.759773     -1.899768
  H      -4.826282     -3.521715     -0.273027
  H      -4.258686     -2.139945      1.691223
  H      -5.082586      6.146306      5.503758
  H      -4.023323      7.091148      6.550425
  H      -2.400055      7.270984      4.542780
  H      -3.927558      8.164261      4.438023
  H      -3.221450      6.893344      2.308641
  H      -3.459337      5.400321      3.192659
  H      -8.075366      7.770624      3.821072
  H      -8.768923      5.273243      0.035066
  H      -7.300917      3.895774     -1.467157
  H      -4.872196      3.701580     -0.987337
  H      -3.873252      4.873120      0.951082
  H      -6.421232      1.517852      7.920427
  H      -6.605855      2.067135      6.248988
  H      -6.289085      3.877242      8.708169
  H      -6.337615      4.461187      7.042776
  H      -8.602093      2.855543      8.373904
  H      -8.529632      4.608054      8.357381
  H      -8.289821      3.986921      3.273320
  H     -12.817034      3.821528      3.996934
  H     -14.268461      3.666472      6.033240
  H     -13.234339      3.551436      8.294421
  H     -10.777351      3.589720      8.553326
  N      -5.466399      3.646033      4.305867
  H      -6.358122      3.759201      4.835029
  H      -5.646494      2.850058      3.645646
  H      -5.404283      4.488075      3.719445
99
Coordinates from ORCA-job orca E -6204.958425105590
  N      -2.484765      2.330209      4.393804
  Mo     -3.718890      3.316894      5.611859
  N      -4.690303      2.333669      7.037953
  C      -3.941467      2.051927      8.260751
  C      -2.467145      1.891546      7.916205
  N      -2.037796      2.990551      7.008910
  C      -0.858181      2.617094      6.184649
  C      -1.296672      1.747672      5.015410
  C      -1.817487      4.274515      7.729443
  C      -2.058143      5.439337      6.776518
  N      -3.298695      5.199188      6.038281
  H      -0.462998      1.691362      4.288862
  H      -1.473228      0.708392      5.358672
  H      -0.429012      3.551165      5.796752
  H      -0.094389      2.117287      6.807143
  H      -2.132032      6.368946      7.370883
  H      -1.190276      5.574362      6.100579
  H      -2.553589      4.325119      8.543479
  H      -0.805787      4.297848      8.172771
  H      -4.295610      1.115708      8.733794
  H      -4.072319      2.848920      9.022254
  H      -2.329368      0.951742      7.363335
  H      -1.833698      1.860177      8.820792
  C      -2.678364      1.909730      3.011390
  C      -2.963463      0.408490      2.843741
  C      -4.366768     -0.000131      3.340328
  C      -5.426812      0.314986      2.327666
  N      -6.098363      1.469486      2.466666
  C      -7.008396      1.787538      1.515826
  N      -7.339232      1.087702      0.446891
  C      -6.680450     -0.104669      0.281755
  C      -6.988299     -0.911801     -0.835766
  C      -6.328772     -2.115038     -1.034476
  C      -5.342800     -2.545672     -0.123489
  C      -5.021919     -1.775592      0.982015
  C      -5.684011     -0.541772      1.215820
  C      -4.028325      6.410918      5.675725
  C      -3.482649      7.151244      4.441490
  C      -3.792387      6.436953      3.126793
  C      -5.248848      6.469995      2.722064
  N      -6.093381      7.193301      3.470519
  C      -7.394664      7.213210      3.102695
  N      -7.958199      6.614744      2.066221
  C      -7.118478      5.868800      1.278317
  C      -7.651611      5.181661      0.164471
  C      -6.829130      4.410028     -0.642416
  C      -5.456346      4.291924     -0.352082
  C      -4.905676      4.949666      0.737633
  C      -5.718650      5.757844      1.572343
  C      -6.141979      2.320643      7.209280
  C      -6.703092      3.659773      7.716847
  C      -8.227645      3.706650      7.799645
  C      -8.959112      3.759851      6.482326
  N      -8.250753      3.880339      5.358711
  C      -8.927913      3.949689      4.183809
  N     -10.231735      3.911038      4.001643
  C     -10.989727      3.794721      5.137260
  C     -12.398087      3.756956      5.020512
  C     -13.187522      3.644657      6.152062
  C     -12.597876      3.567231      7.431927
  C     -11.221712      3.601599      7.574765
  C     -10.386906      3.714296      6.433996
  H      -1.769951      2.160676      2.426372
  H      -3.504347      2.490460      2.574028
  H      -2.199274     -0.171440      3.384801
  H      -2.856909      0.141103      1.780206
  H      -4.376380     -1.075754      3.571281
  H      -4.591579      0.538231      4.276279
  H      -7.512971      2.749040      1.643182
  H      -7.753575     -0.555971     -1.527219
  H      -6.571478     -2.733718     -1.900205
  H      -4.828567     -3.493698     -0.291310
  H      -4.255386     -2.119644      1.677178
  H      -5.081766      6.157233      5.496389
  H      -4.020048      7.103405      6.539789
  H      -2.391461      7.267300      4.539586
  H      -3.917666      8.161050      4.418915
  H      -3.193512      6.866644      2.304726
  H      -3.451001      5.384885      3.202040
  H      -8.057225      7.793212      3.755010
  H      -8.724297      5.267358     -0.017251
  H      -7.249599      3.865159     -1.488461
  H      -4.827388      3.659023     -0.979402
  H      -3.842566      4.842841      0.958686
  H      -6.426096      1.514781      7.915092
  H      -6.612565      2.072905      6.246905
  H      -6.290419      3.868865      8.716285
  H      -6.343462      4.463227      7.054586
  H      -8.601881      2.843541      8.378618
  H      -8.533238      4.596128      8.378901
  H      -8.306544      4.052586      3.289896
  H     -12.829739      3.820715      4.020793
  H     -14.274451      3.616670      6.057382
  H     -13.233850      3.480276      8.314547
  H     -10.777048      3.543755      8.568760
  N      -5.473848      3.654386      4.307857
  H      -6.363230      3.777827      4.838334
  H      -5.660059      2.853688      3.654771
  H      -5.407769      4.490854      3.713753
99
Coordinates from ORCA-job orca E -6204.958814286597
  N      -2.490454      2.338682      4.392267
  Mo     -3.724608      3.326067      5.610939
  N      -4.693800      2.334978      7.033824
  C      -3.944117      2.046971      8.254723
  C      -2.469471      1.892633      7.909310
  N      -2.043643      2.996720      7.006261
  C      -0.863154      2.627766      6.181053
  C      -1.299464      1.759485      5.010508
  C      -1.825572      4.278061      7.731817
  C      -2.064244      5.446602      6.782837
  N      -3.302183      5.207619      6.039534
  H      -0.466245      1.709689      4.282782
  H      -1.470592      0.718111      5.350343
  H      -0.436177      3.563500      5.794858
  H      -0.098362      2.128747      6.802942
  H      -2.140506      6.373755      7.380699
  H      -1.194512      5.584841      6.110143
  H      -2.564201      4.325878      8.543891
  H      -0.815430      4.300289      8.178849
  H      -4.295948      1.106583      8.721197
  H      -4.077260      2.838019      9.021980
  H      -2.328973      0.955586      7.352527
  H      -1.835411      1.859633      8.813336
  C      -2.687316      1.916672      3.010743
  C      -2.974763      0.415230      2.841335
  C      -4.377227      0.006243      3.341020
  C      -5.442555      0.325500      2.335290
  N      -6.117650      1.475913      2.485691
  C      -7.035507      1.797193      1.543426
  N      -7.371034      1.102528      0.472602
  C      -6.708667     -0.086082      0.295264
  C      -7.021637     -0.887809     -0.824886
  C      -6.357981     -2.086526     -1.036214
  C      -5.362673     -2.518251     -0.136030
  C      -5.036881     -1.753756      0.971925
  C      -5.703233     -0.524950      1.218776
  C      -4.029076      6.420235      5.672528
  C      -3.480081      7.156416      4.437668
  C      -3.776247      6.432908      3.125415
  C      -5.227026      6.463440      2.702449
  N      -6.080597      7.195817      3.431823
  C      -7.376872      7.212042      3.046860
  N      -7.928124      6.600020      2.011339
  C      -7.078860      5.845491      1.242210
  C      -7.598011      5.144945      0.130350
  C      -6.766223      4.362228     -0.655932
  C      -5.396559      4.249753     -0.348506
  C      -4.859085      4.923275      0.738214
  C      -5.682559      5.739395      1.554319
  C      -6.144694      2.320863      7.208301
  C      -6.705140      3.656792      7.724841
  C      -8.229302      3.699353      7.812400
  C      -8.963317      3.765336      6.497114
  N      -8.257819      3.914063      5.375170
  C      -8.937710      3.998917      4.202638
  N     -10.241633      3.948683      4.022188
  C     -10.996256      3.799968      5.156182
  C     -12.404198      3.745882      5.040521
  C     -13.190500      3.602631      6.170594
  C     -12.598134      3.509784      7.448142
  C     -11.222285      3.559041      7.589748
  C     -10.390698      3.702920      6.450299
  H      -1.780482      2.166652      2.423207
  H      -3.514120      2.497198      2.575960
  H      -2.209541     -0.166906      3.378624
  H      -2.870408      0.152687      1.776443
  H      -4.387295     -1.070004      3.568673
  H      -4.594020      0.543367      4.279556
  H      -7.543228      2.755766      1.682590
  H      -7.793871     -0.531423     -1.508263
  H      -6.604583     -2.700897     -1.903921
  H      -4.845153     -3.462537     -0.314471
  H      -4.263072     -2.097643      1.659045
  H      -5.083562      6.168404      5.494306
  H      -4.018971      7.115422      6.534349
  H      -2.390278      7.278919      4.543383
  H      -3.921011      8.163496      4.407763
  H      -3.166194      6.853009      2.306719
  H      -3.437590      5.380666      3.214535
  H      -8.047119      7.801617      3.682390
  H      -8.667923      5.229085     -0.067460
  H      -7.176837      3.807243     -1.500251
  H      -4.758962      3.610521     -0.960830
  H      -3.797965      4.822419      0.971000
  H      -6.427856      1.512440      7.911513
  H      -6.617568      2.076693      6.245911
  H      -6.290062      3.861087      8.724276
  H      -6.349917      4.465191      7.066344
  H      -8.599501      2.829419      8.383456
  H      -8.536086      4.582109      8.401296
  H      -8.320227      4.128740      3.309624
  H     -12.838081      3.822442      4.042641
  H     -14.277090      3.562124      6.076524
  H     -13.231577      3.398969      8.329892
  H     -10.775739      3.489066      8.582125
  N      -5.483800      3.668691      4.311166
  H      -6.370222      3.800316      4.843586
  H      -5.676022      2.864632      3.663844
  H      -5.414653      4.500913      3.711141
99
Coordinates from ORCA-job orca E -6204.959209852278
  N      -2.499177      2.352310      4.388770
  Mo     -3.732774      3.333531      5.611805
  N      -4.699949      2.335932      7.031769
  C      -3.947867      2.041779      8.249841
  C      -2.473376      1.892046      7.901581
  N      -2.050692      3.001855      7.003835
  C      -0.869696      2.639921      6.175951
  C      -1.304702      1.774995      5.001918
  C      -1.836169      4.279811      7.736003
  C      -2.076286      5.452724      6.792925
  N      -3.311311      5.214322      6.044881
  H      -0.472561      1.732144      4.272499
  H      -1.470960      0.731257      5.336627
  H      -0.445974      3.578458      5.792791
  H      -0.102828      2.140963      6.795302
  H      -2.157100      6.376537      7.395333
  H      -1.204987      5.597294      6.123158
  H      -2.575687      4.320933      8.547567
  H      -0.826560      4.302246      8.184042
  H      -4.297690      1.097938      8.710810
  H      -4.081669      2.827727      9.022282
  H      -2.331744      0.958329      7.339543
  H      -1.837794      1.855629      8.804409
  C      -2.700151      1.936069      3.006535
  C      -2.981886      0.434780      2.832030
  C      -4.378602      0.018627      3.341359
  C      -5.454137      0.338962      2.346835
  N      -6.139100      1.481354      2.514112
  C      -7.068494      1.802625      1.583215
  N      -7.406684      1.114774      0.508776
  C      -6.734068     -0.065380      0.314195
  C      -7.049250     -0.859549     -0.810650
  C      -6.376005     -2.049830     -1.039164
  C      -5.368742     -2.480363     -0.151830
  C      -5.040487     -1.723103      0.960408
  C      -5.716179     -0.503110      1.224465
  C      -4.028136      6.428420      5.663625
  C      -3.464352      7.149356      4.426449
  C      -3.750403      6.412005      3.119638
  C      -5.195890      6.447892      2.680329
  N      -6.051823      7.195572      3.391558
  C      -7.343566      7.216607      2.992113
  N      -7.888008      6.596317      1.957865
  C      -7.036357      5.825913      1.207196
  C      -7.548569      5.115924      0.098182
  C      -6.714918      4.315301     -0.667918
  C      -5.350218      4.194130     -0.342541
  C      -4.819346      4.877606      0.741208
  C      -5.644640      5.712405      1.536520
  C      -6.150464      2.321158      7.209063
  C      -6.710748      3.653727      7.733727
  C      -8.234951      3.693055      7.824557
  C      -8.972241      3.769578      6.511243
  N      -8.270857      3.942890      5.390250
  C      -8.954392      4.040438      4.220687
  N     -10.258102      3.979550      4.042200
  C     -11.008428      3.803189      5.174995
  C     -12.415919      3.734054      5.061158
  C     -13.198071      3.563787      6.190344
  C     -12.601956      3.458129      7.465196
  C     -11.226461      3.521302      7.604919
  C     -10.399016      3.692558      6.466269
  H      -1.797368      2.192588      2.415389
  H      -3.532341      2.514749      2.578473
  H      -2.209821     -0.147028      3.359869
  H      -2.885351      0.178283      1.764900
  H      -4.382809     -1.059058      3.563323
  H      -4.590800      0.549788      4.284316
  H      -7.583399      2.755189      1.735735
  H      -7.830959     -0.504457     -1.483865
  H      -6.624476     -2.658532     -1.910313
  H      -4.844050     -3.418020     -0.343763
  H      -4.257470     -2.066035      1.637581
  H      -5.082835      6.181787      5.479850
  H      -4.019334      7.130801      6.519674
  H      -2.375297      7.269740      4.541911
  H      -3.902087      8.157200      4.381014
  H      -3.128494      6.818319      2.302773
  H      -3.419752      5.358761      3.224661
  H      -8.016591      7.818355      3.613155
  H      -8.615134      5.207101     -0.114126
  H      -7.121024      3.752748     -1.509323
  H      -4.711842      3.540134     -0.938022
  H      -3.761878      4.770346      0.987643
  H      -6.432323      1.508798      7.908350
  H      -6.624882      2.081375      6.246219
  H      -6.294438      3.852802      8.733711
  H      -6.357363      4.466177      7.079327
  H      -8.602323      2.817787      8.389010
  H      -8.542309      4.570076      8.421784
  H      -8.340692      4.193251      3.328547
  H     -12.852826      3.821126      4.065467
  H     -14.284298      3.511821      6.097698
  H     -13.232132      3.326078      8.346359
  H     -10.777251      3.440758      8.595289
  N      -5.494911      3.678506      4.318425
  H      -6.377313      3.818457      4.855306
  H      -5.694087      2.870684      3.677369
  H      -5.423608      4.506362      3.712648
99
Coordinates from ORCA-job orca E -6204.959599474289
  N      -2.507009      2.379647      4.373720
  Mo     -3.738063      3.347686      5.606732
  N      -4.702094      2.337095      7.018749
  C      -3.946682      2.030865      8.232177
  C      -2.472218      1.888367      7.879754
  N      -2.053741      3.008347      6.992074
  C      -0.872521      2.659040      6.158471
  C      -1.306767      1.803241      4.976318
  C      -1.844394      4.279293      7.737583
  C      -2.085890      5.460651      6.805708
  N      -3.317439      5.226397      6.051334
  H      -0.477093      1.772657      4.243472
  H      -1.465671      0.755077      5.300183
  H      -0.453646      3.602797      5.782580
  H      -0.102268      2.158004      6.771807
  H      -2.170735      6.379136      7.415483
  H      -1.212871      5.613119      6.139172
  H      -2.585997      4.307592      8.547578
  H      -0.835754      4.300526      8.187576
  H      -4.294186      1.081130      8.682570
  H      -4.081624      2.807642      9.013736
  H      -2.328534      0.960478      7.308693
  H      -1.834654      1.845784      8.780936
  C      -2.720402      1.972733      2.991355
  C      -2.996309      0.472085      2.814129
  C      -4.382865      0.047606      3.342487
  C      -5.475818      0.360920      2.364874
  N      -6.172537      1.494450      2.546803
  C      -7.123254      1.804607      1.633791
  N      -7.472176      1.113508      0.564583
  C      -6.787407     -0.057033      0.355731
  C      -7.113322     -0.854021     -0.763933
  C      -6.429570     -2.035688     -1.006413
  C      -5.400915     -2.454383     -0.138145
  C      -5.061707     -1.693890      0.968700
  C      -5.747158     -0.482406      1.246148
  C      -4.026395      6.443151      5.665630
  C      -3.445562      7.155079      4.431108
  C      -3.713506      6.403179      3.128730
  C      -5.152160      6.441423      2.669741
  N      -6.011979      7.205002      3.359619
  C      -7.298168      7.228671      2.943175
  N      -7.832788      6.598800      1.909742
  C      -6.977301      5.810826      1.181458
  C      -7.480225      5.088158      0.076539
  C      -6.644189      4.264620     -0.662515
  C      -5.286701      4.131591     -0.312550
  C      -4.764278      4.829229      0.766203
  C      -5.591712      5.689619      1.532541
  C      -6.152656      2.316938      7.196786
  C      -6.716644      3.642424      7.733775
  C      -8.241214      3.675458      7.824823
  C      -8.978769      3.767787      6.512036
  N      -8.279245      3.975113      5.395791
  C      -8.963638      4.092688      4.228394
  N     -10.266118      4.018191      4.047350
  C     -11.014434      3.802959      5.174577
  C     -12.420670      3.714357      5.057473
  C     -13.200905      3.505851      6.181630
  C     -12.604161      3.380358      7.454454
  C     -11.229869      3.461770      7.597283
  C     -10.404293      3.671768      6.463801
  H      -1.825204      2.236012      2.391059
  H      -3.561075      2.550842      2.575513
  H      -2.213877     -0.107895      3.328515
  H      -2.914421      0.219589      1.744679
  H      -4.376640     -1.030999      3.561826
  H      -4.589716      0.574060      4.289424
  H      -7.645734      2.750968      1.796159
  H      -7.912053     -0.508602     -1.422084
  H      -6.686743     -2.646905     -1.873198
  H      -4.868679     -3.385497     -0.340704
  H      -4.262374     -2.028502      1.630946
  H      -5.080023      6.201026      5.471820
  H      -4.021687      7.147018      6.520598
  H      -2.358688      7.279514      4.561183
  H      -3.886057      8.160751      4.369300
  H      -3.078859      6.798720      2.316002
  H      -3.388451      5.350256      3.249073
  H      -7.976524      7.839691      3.549315
  H      -8.542455      5.186283     -0.154222
  H      -7.044683      3.691098     -1.499003
  H      -4.648687      3.456571     -0.883973
  H      -3.712192      4.713359      1.031570
  H      -6.432309      1.496466      7.887538
  H      -6.625775      2.084125      6.231302
  H      -6.301227      3.833163      8.735792
  H      -6.364816      4.461701      7.087427
  H      -8.605712      2.791714      8.377464
  H      -8.552149      4.543336      8.433579
  H      -8.352150      4.277785      3.340419
  H     -12.858234      3.817451      4.063638
  H     -14.286104      3.438941      6.086594
  H     -13.232751      3.218002      8.331653
  H     -10.780692      3.364685      8.586171
  N      -5.503798      3.701828      4.325394
  H      -6.381759      3.846089      4.868502
  H      -5.709813      2.893075      3.686985
  H      -5.430062      4.528429      3.718751
99
Coordinates from ORCA-job orca E -6204.959993987390
  N      -2.517569      2.389388      4.374572
  Mo     -3.747026      3.356069      5.610747
  N      -4.708569      2.340590      7.021872
  C      -3.950629      2.030106      8.232553
  C      -2.476752      1.891045      7.877014
  N      -2.061627      3.014726      6.992444
  C      -0.880999      2.669609      6.156144
  C      -1.314539      1.815128      4.972941
  C      -1.853029      4.283561      7.741806
  C      -2.096652      5.468265      6.814958
  N      -3.327020      5.234386      6.058234
  H      -0.485939      1.789919      4.238639
  H      -1.469038      0.765376      5.293946
  H      -0.465432      3.615263      5.781456
  H      -0.108530      2.169571      6.767507
  H      -2.184625      6.383627      7.429221
  H      -1.223122      5.626112      6.150449
  H      -2.593749      4.308537      8.552811
  H      -0.843997      4.304570      8.190999
  H      -4.296020      1.077847      8.679266
  H      -4.085262      2.803115      9.017872
  H      -2.332838      0.965529      7.302200
  H      -1.837274      1.846196      8.776699
  C      -2.733568      1.986040      2.991596
  C      -3.009997      0.485596      2.808322
  C      -4.394043      0.057287      3.340549
  C      -5.493657      0.373866      2.371285
  N      -6.198262      1.499361      2.569271
  C      -7.156968      1.812065      1.665471
  N      -7.506777      1.129566      0.591103
  C      -6.813603     -0.032811      0.365287
  C      -7.139606     -0.820322     -0.761169
  C      -6.447503     -1.993488     -1.020439
  C      -5.410436     -2.413283     -0.162845
  C      -5.071061     -1.662082      0.950306
  C      -5.764653     -0.459430      1.244640
  C      -4.022253      6.453701      5.654484
  C      -3.428035      7.148472      4.416445
  C      -3.690778      6.386716      3.119091
  C      -5.124092      6.429673      2.645032
  N      -5.986774      7.208220      3.314782
  C      -7.268335      7.231730      2.884721
  N      -7.795878      6.588775      1.855257
  C      -6.936875      5.786668      1.146723
  C      -7.431245      5.050507      0.046957
  C      -6.592099      4.210521     -0.669720
  C      -5.239094      4.076620     -0.303545
  C      -4.724610      4.789111      0.769264
  C      -5.555681      5.664449      1.513976
  C      -6.158305      2.320561      7.204594
  C      -6.720799      3.643642      7.749039
  C      -8.245077      3.674061      7.841974
  C      -8.983812      3.773747      6.530470
  N      -8.287353      4.005540      5.417260
  C      -8.973835      4.133060      4.252004
  N     -10.275647      4.044164      4.070674
  C     -11.020359      3.800826      5.194568
  C     -12.425295      3.693307      5.076523
  C     -13.202023      3.457897      6.197679
  C     -12.603124      3.323541      7.468539
  C     -11.230090      3.422413      7.612074
  C     -10.408031      3.659641      6.481486
  H      -1.839829      2.251473      2.390223
  H      -3.574838      2.564964      2.579533
  H      -2.224862     -0.096711      3.316002
  H      -2.932335      0.240064      1.737050
  H      -4.385831     -1.022263      3.554836
  H      -4.595200      0.579698      4.290724
  H      -7.686938      2.751597      1.843372
  H      -7.944952     -0.474510     -1.410939
  H      -6.704696     -2.597331     -1.892432
  H      -4.871963     -3.337811     -0.378832
  H      -4.265210     -1.996836      1.604489
  H      -5.077441      6.219435      5.458484
  H      -4.014345      7.166630      6.501808
  H      -2.341372      7.266772      4.553748
  H      -3.861202      8.156558      4.342198
  H      -3.044923      6.768747      2.308824
  H      -3.374973      5.332204      3.252655
  H      -7.949698      7.855894      3.473877
  H      -8.489840      5.150954     -0.198171
  H      -6.986997      3.626665     -1.501792
  H      -4.597840      3.390158     -0.857755
  H      -3.675519      4.673894      1.045890
  H      -6.436351      1.497743      7.893171
  H      -6.634975      2.091196      6.239924
  H      -6.304166      3.829756      8.751421
  H      -6.371045      4.466501      7.106134
  H      -8.607428      2.786467      8.389556
  H      -8.556884      4.538085      8.455824
  H      -8.365744      4.340768      3.366601
  H     -12.864675      3.804007      4.084294
  H     -14.286174      3.376583      6.101807
  H     -13.228969      3.140208      8.343592
  H     -10.779328      3.317993      8.599476
  N      -5.516188      3.710767      4.333421
  H      -6.390057      3.865929      4.879547
  H      -5.730046      2.896664      3.704528
  H      -5.440338      4.530841      3.717957
99
Coordinates from ORCA-job orca E -6204.960354867752
  N      -2.527814      2.400008      4.375046
  Mo     -3.753412      3.370339      5.612850
  N      -4.713003      2.350740      7.022607
  C      -3.953622      2.034385      8.230590
  C      -2.480448      1.896803      7.872537
  N      -2.066850      3.023056      6.990812
  C      -0.887931      2.679323      6.151993
  C      -1.323049      1.826113      4.969228
  C      -1.857160      4.290593      7.743166
  C      -2.098452      5.477955      6.819095
  N      -3.328793      5.248237      6.060091
  H      -0.496263      1.803098      4.232787
  H      -1.475138      0.775606      5.289665
  H      -0.473694      3.625872      5.778521
  H      -0.114155      2.178504      6.761083
  H      -2.184809      6.391917      7.435968
  H      -1.224536      5.635855      6.155844
  H      -2.598672      4.315330      8.553643
  H      -0.848399      4.309404      8.193355
  H      -4.297951      1.079829      8.673340
  H      -4.087066      2.803520      9.019709
  H      -2.337261      0.972980      7.294783
  H      -1.839869      1.849193      8.771284
  C      -2.748436      1.993850      2.993059
  C      -3.033566      0.493573      2.808276
  C      -4.418366      0.066724      3.340374
  C      -5.521495      0.386997      2.375730
  N      -6.227654      1.508862      2.583744
  C      -7.192659      1.824679      1.687747
  N      -7.547079      1.146969      0.611778
  C      -6.852244     -0.012117      0.375069
  C      -7.182824     -0.794224     -0.754059
  C      -6.489442     -1.964247     -1.023630
  C      -5.446862     -2.386781     -0.174205
  C      -5.102849     -1.640780      0.941170
  C      -5.797108     -0.441121      1.245682
  C      -4.013214      6.471274      5.644795
  C      -3.410456      7.160125      4.407097
  C      -3.664163      6.395225      3.110052
  C      -5.092733      6.433616      2.621614
  N      -5.965161      7.215478      3.274070
  C      -7.242960      7.225783      2.832217
  N      -7.758755      6.564306      1.808061
  C      -6.888662      5.759444      1.116444
  C      -7.369026      5.002229      0.024924
  C      -6.518783      4.156083     -0.670683
  C      -5.166626      4.041845     -0.295076
  C      -4.665263      4.777693      0.767954
  C      -5.509414      5.654078      1.495394
  C      -6.162060      2.325414      7.207104
  C      -6.727179      3.640752      7.767352
  C      -8.250756      3.662753      7.860249
  C      -8.988080      3.774134      6.549538
  N      -8.292751      4.036369      5.442389
  C      -8.979224      4.174987      4.278298
  N     -10.279667      4.067939      4.093187
  C     -11.022410      3.791236      5.210720
  C     -12.425142      3.661117      5.087947
  C     -13.199900      3.393840      6.203177
  C     -12.601301      3.249022      7.472833
  C     -11.230406      3.368502      7.620709
  C     -10.410280      3.637992      6.495961
  H      -1.854133      2.254814      2.390812
  H      -3.585124      2.576416      2.581692
  H      -2.249891     -0.092772      3.313671
  H      -2.957977      0.250407      1.736477
  H      -4.412390     -1.013103      3.551683
  H      -4.614990      0.586781      4.292624
  H      -7.726968      2.759945      1.878568
  H      -7.992767     -0.446713     -1.397175
  H      -6.750204     -2.563637     -1.897632
  H      -4.907899     -3.309107     -0.398055
  H      -4.292965     -1.977645      1.589128
  H      -5.069397      6.243345      5.444943
  H      -4.003645      7.187639      6.488994
  H      -2.324814      7.278725      4.551229
  H      -3.842799      8.168229      4.326877
  H      -3.010146      6.772887      2.304498
  H      -3.351495      5.340103      3.250203
  H      -7.932582      7.855347      3.405594
  H      -8.426167      5.089669     -0.229949
  H      -6.903691      3.555185     -1.495466
  H      -4.514659      3.352374     -0.833687
  H      -3.616585      4.678627      1.050722
  H      -6.436815      1.494989      7.887682
  H      -6.639941      2.103912      6.240973
  H      -6.310195      3.816568      8.771439
  H      -6.381498      4.472183      7.133466
  H      -8.608293      2.766499      8.396420
  H      -8.567553      4.518133      8.483496
  H      -8.373222      4.407152      3.397511
  H     -12.864488      3.780859      4.096722
  H     -14.282315      3.295523      6.103510
  H     -13.225603      3.041011      8.343473
  H     -10.779950      3.255924      8.607292
  N      -5.524416      3.731596      4.336753
  H      -6.396380      3.898542      4.881074
  H      -5.746381      2.914292      3.714852
  H      -5.441403      4.545239      3.713645
99
Coordinates from ORCA-job orca E -6204.960685506639
  N      -2.537143      2.424290      4.364351
  Mo     -3.761870      3.381279      5.611087
  N      -4.717819      2.348946      7.013523
  C      -3.955605      2.023820      8.217485
  C      -2.482401      1.893161      7.855880
  N      -2.073209      3.028464      6.983455
  C      -0.893928      2.697176      6.139764
  C      -1.327685      1.851669      4.950215
  C      -1.868515      4.289985      7.746937
  C      -2.113628      5.484609      6.833346
  N      -3.341131      5.257409      6.069643
  H      -0.502788      1.838892      4.211428
  H      -1.473733      0.797773      5.261836
  H      -0.484781      3.648691      5.773027
  H      -0.116661      2.195162      6.743375
  H      -2.205314      6.392754      7.458037
  H      -1.238753      5.652385      6.173094
  H      -2.610105      4.303593      8.557405
  H      -0.859891      4.308804      8.197079
  H      -4.297132      1.064586      8.652204
  H      -4.089869      2.785663      9.013598
  H      -2.337437      0.974820      7.269926
  H      -1.840232      1.839689      8.753198
  C      -2.764991      2.027202      2.981525
  C      -3.044205      0.527713      2.792427
  C      -4.420118      0.092813      3.339705
  C      -5.537497      0.406473      2.389403
  N      -6.256646      1.517694      2.612411
  C      -7.238775      1.822901      1.731256
  N      -7.597811      1.144665      0.656897
  C      -6.889658     -0.003028      0.405544
  C      -7.224422     -0.785187     -0.722283
  C      -6.518749     -1.944641     -1.005824
  C      -5.459547     -2.356296     -0.171796
  C      -5.110903     -1.609697      0.941871
  C      -5.816904     -0.420481      1.259821
  C      -4.011887      6.482493      5.640081
  C      -3.388904      7.154375      4.403160
  C      -3.631355      6.375412      3.112077
  C      -5.053379      6.419767      2.606242
  N      -5.924872      7.219490      3.237976
  C      -7.197792      7.235558      2.782436
  N      -7.709227      6.563211      1.763389
  C      -6.839618      5.740970      1.091681
  C      -7.316011      4.973082      0.005997
  C      -6.467014      4.108828     -0.668684
  C      -5.119973      3.986681     -0.277528
  C      -4.622145      4.733243      0.779798
  C      -5.465289      5.628189      1.486162
  C      -6.166623      2.320706      7.199471
  C      -6.732981      3.629007      7.773873
  C      -8.256790      3.646717      7.866851
  C      -8.995259      3.772104      6.557420
  N      -8.303535      4.062091      5.454737
  C      -8.992742      4.216375      4.294093
  N     -10.292039      4.100347      4.107689
  C     -11.030835      3.793853      5.219798
  C     -12.432228      3.651432      5.095116
  C     -13.203482      3.355251      6.205527
  C     -12.602645      3.193289      7.472109
  C     -11.232901      3.324154      7.621689
  C     -10.416156      3.622565      6.501736
  H      -1.876077      2.295401      2.374026
  H      -3.608003      2.609125      2.579517
  H      -2.251898     -0.057086      3.286016
  H      -2.980116      0.289396      1.718676
  H      -4.404795     -0.987699      3.548748
  H      -4.611471      0.609013      4.295203
  H      -7.782507      2.750343      1.932148
  H      -8.047793     -0.446557     -1.353015
  H      -6.783022     -2.544182     -1.878625
  H      -4.911485     -3.270582     -0.406144
  H      -4.288251     -1.938563      1.577864
  H      -5.067093      6.261068      5.429817
  H      -4.005631      7.205303      6.478961
  H      -2.304484      7.268511      4.559491
  H      -3.814170      8.163964      4.305901
  H      -2.964731      6.739169      2.310234
  H      -3.328894      5.319815      3.267381
  H      -7.887865      7.878780      3.339863
  H      -8.369659      5.066896     -0.261572
  H      -6.849793      3.499524     -1.488093
  H      -4.469931      3.282645     -0.799082
  H      -3.577135      4.628456      1.074259
  H      -6.439729      1.482151      7.870852
  H      -6.644932      2.109049      6.231273
  H      -6.316477      3.794219      8.779943
  H      -6.387905      4.467465      7.149269
  H      -8.612437      2.743769      8.392706
  H      -8.575448      4.493947      8.500334
  H      -8.390319      4.473867      3.417693
  H     -12.873430      3.785158      4.106526
  H     -14.284861      3.247465      6.104470
  H     -13.224246      2.962924      8.339020
  H     -10.780973      3.198271      8.605972
  N      -5.535239      3.748186      4.342737
  H      -6.403310      3.920122      4.891845
  H      -5.763449      2.930152      3.723556
  H      -5.449941      4.559791      3.717607
99
Coordinates from ORCA-job orca E -6204.961010677789
  N      -2.546794      2.439990      4.359991
  Mo     -3.768309      3.393897      5.611695
  N      -4.720312      2.353840      7.010906
  C      -3.956098      2.023812      8.212047
  C      -2.483291      1.896756      7.847375
  N      -2.077299      3.036262      6.979100
  C      -0.899377      2.710470      6.131429
  C      -1.334380      1.868140      4.940139
  C      -1.873767      4.295185      7.747461
  C      -2.119754      5.493471      6.838967
  N      -3.346776      5.269449      6.073559
  H      -0.511701      1.859535      4.198836
  H      -1.477119      0.812925      5.248972
  H      -0.493173      3.664272      5.767429
  H      -0.119555      2.207806      6.731224
  H      -2.212026      6.398771      7.467947
  H      -1.244828      5.664920      6.179743
  H      -2.615199      4.304899      8.558129
  H      -0.865087      4.313213      8.197473
  H      -4.295500      1.061969      8.642698
  H      -4.089887      2.781619      9.012030
  H      -2.338115      0.981066      7.257368
  H      -1.839642      1.840256      8.743448
  C      -2.780980      2.043032      2.978174
  C      -3.065382      0.544453      2.789746
  C      -4.439597      0.112365      3.342964
  C      -5.562830      0.425620      2.399196
  N      -6.284917      1.533315      2.629185
  C      -7.275780      1.835128      1.756320
  N      -7.639210      1.156914      0.683345
  C      -6.927429      0.013374      0.424447
  C      -7.266109     -0.768093     -0.702829
  C      -6.557252     -1.923919     -0.993155
  C      -5.491227     -2.332911     -0.166698
  C      -5.138489     -1.586716      0.946091
  C      -5.846963     -0.400850      1.270309
  C      -4.004712      6.497089      5.630867
  C      -3.367796      7.158034      4.395052
  C      -3.601196      6.373422      3.105678
  C      -5.017746      6.418284      2.584747
  N      -5.894292      7.224832      3.200258
  C      -7.163970      7.233820      2.735208
  N      -7.668353      6.544785      1.723662
  C      -6.792473      5.717155      1.066772
  C      -7.260223      4.932971     -0.010899
  C      -6.404145      4.064163     -0.670597
  C      -5.057642      3.955411     -0.273572
  C      -4.568165      4.718693      0.775741
  C      -5.419570      5.615707      1.468898
  C      -6.168715      2.318406      7.197380
  C      -6.740429      3.616280      7.789782
  C      -8.264234      3.624818      7.880310
  C      -9.001376      3.767117      6.571839
  N      -8.311708      4.089810      5.476703
  C      -9.001687      4.260991      4.318772
  N     -10.299221      4.131559      4.127845
  C     -11.035300      3.790253      5.231550
  C     -12.434435      3.631051      5.101402
  C     -13.203332      3.301484      6.204010
  C     -12.602334      3.121807      7.468069
  C     -11.234664      3.267834      7.622657
  C     -10.420193      3.600052      6.510552
  H      -1.893706      2.309046      2.367345
  H      -3.623433      2.627652      2.579578
  H      -2.272359     -0.042593      3.279589
  H      -3.006584      0.306830      1.715572
  H      -4.424723     -0.968078      3.552658
  H      -4.625393      0.629155      4.299236
  H      -7.823061      2.759156      1.963816
  H      -8.095189     -0.431827     -1.327294
  H      -6.824615     -2.522707     -1.865570
  H      -4.941054     -3.244650     -0.405984
  H      -4.310576     -1.913607      1.576212
  H      -5.059781      6.282221      5.413618
  H      -3.999173      7.224780      6.465541
  H      -2.284294      7.268597      4.560053
  H      -3.787326      8.169142      4.288509
  H      -2.924949      6.730287      2.308852
  H      -3.305280      5.317072      3.269095
  H      -7.858135      7.885577      3.277413
  H      -8.312836      5.018394     -0.284984
  H      -6.780713      3.442268     -1.483459
  H      -4.400810      3.249472     -0.784119
  H      -3.523389      4.625052      1.074242
  H      -6.438046      1.469985      7.857910
  H      -6.646767      2.117284      6.226784
  H      -6.325874      3.768231      8.798723
  H      -6.398377      4.465166      7.177967
  H      -8.615759      2.711843      8.391206
  H      -8.588476      4.460301      8.526502
  H      -8.401842      4.546627      3.449196
  H     -12.875885      3.779383      4.114994
  H     -14.282968      3.181020      6.098705
  H     -13.222125      2.865545      8.329002
  H     -10.782686      3.128213      8.605047
  N      -5.543644      3.767071      4.347280
  H      -6.408476      3.949092      4.897905
  H      -5.780521      2.947424      3.733666
  H      -5.452154      4.573732      3.716568
99
Coordinates from ORCA-job orca E -6204.961328376924
  N      -2.558269      2.460359      4.348870
  Mo     -3.774426      3.410641      5.607732
  N      -4.720511      2.359959      7.002164
  C      -3.953771      2.023773      8.199819
  C      -2.481462      1.900671      7.831117
  N      -2.079489      3.045263      6.968034
  C      -0.904016      2.726201      6.114586
  C      -1.342199      1.888617      4.921213
  C      -1.876438      4.300409      7.742757
  C      -2.122355      5.503438      6.840763
  N      -3.349723      5.285097      6.074576
  H      -0.522925      1.884227      4.176086
  H      -1.481655      0.831968      5.226756
  H      -0.500792      3.682606      5.754212
  H      -0.121088      2.221774      6.708809
  H      -2.213008      6.405458      7.474900
  H      -1.247855      5.677892      6.181759
  H      -2.617940      4.305545      8.553388
  H      -0.867811      4.316484      8.192932
  H      -4.290883      1.058924      8.625523
  H      -4.086519      2.776688      9.004498
  H      -2.336374      0.988139      7.236262
  H      -1.835831      1.840393      8.725501
  C      -2.803472      2.059206      2.970024
  C      -3.094794      0.561343      2.788495
  C      -4.467677      0.136622      3.350026
  C      -5.596416      0.447223      2.411726
  N      -6.318384      1.554624      2.642701
  C      -7.317852      1.850151      1.776970
  N      -7.688319      1.166102      0.710050
  C      -6.975684      0.023849      0.449488
  C      -7.320723     -0.762496     -0.672632
  C      -6.611259     -1.917607     -0.963943
  C      -5.538652     -2.321497     -0.143638
  C      -5.179589     -1.570411      0.963970
  C      -5.887847     -0.384652      1.288473
  C      -3.996658      6.516489      5.626067
  C      -3.346148      7.174485      4.395990
  C      -3.564666      6.387252      3.105864
  C      -4.975316      6.427259      2.568949
  N      -5.860686      7.235509      3.168849
  C      -7.127628      7.230153      2.695818
  N      -7.622561      6.519586      1.694339
  C      -6.736222      5.692165      1.051265
  C      -7.192217      4.887028     -0.015904
  C      -6.324506      4.018947     -0.661145
  C      -4.976993      3.933839     -0.261681
  C      -4.498537      4.719540      0.776195
  C      -5.363246      5.612203      1.457425
  C      -6.168495      2.313455      7.187893
  C      -6.748842      3.596603      7.803330
  C      -8.272751      3.593384      7.888444
  C      -9.007310      3.756963      6.581019
  N      -8.319169      4.114576      5.495386
  C      -9.009297      4.304567      4.340268
  N     -10.304732      4.161301      4.143138
  C     -11.038521      3.783134      5.236456
  C     -12.435001      3.606637      5.099162
  C     -13.201718      3.241158      6.191947
  C     -12.601115      3.041342      7.453075
  C     -11.235951      3.202918      7.614280
  C     -10.423607      3.571860      6.512192
  H      -1.919531      2.320248      2.352347
  H      -3.646113      2.645954      2.575404
  H      -2.301719     -0.026964      3.276760
  H      -3.042049      0.319633      1.714920
  H      -4.454997     -0.942999      3.564735
  H      -4.646748      0.658040      4.305263
  H      -7.867207      2.772556      1.986078
  H      -8.155288     -0.430317     -1.291942
  H      -6.883591     -2.519806     -1.832515
  H      -4.988221     -3.233004     -0.383228
  H      -4.346667     -1.893742      1.589268
  H      -5.050832      6.307597      5.399532
  H      -3.994203      7.244265      6.460712
  H      -2.264387      7.285573      4.571851
  H      -3.763836      8.185722      4.283182
  H      -2.879435      6.742525      2.316083
  H      -3.271339      5.331094      3.274887
  H      -7.828677      7.886908      3.222920
  H      -8.244902      4.956218     -0.294088
  H      -6.692340      3.380574     -1.465263
  H      -4.309839      3.230617     -0.761863
  H      -3.452766      4.645317      1.076314
  H      -6.432555      1.451650      7.833189
  H      -6.644934      2.126708      6.213626
  H      -6.338336      3.731314      8.816332
  H      -6.410175      4.458952      7.209161
  H      -8.619525      2.667918      8.379577
  H      -8.604808      4.413461      8.550264
  H      -8.411479      4.618683      3.478749
  H     -12.876248      3.771225      4.115237
  H     -14.279235      3.107604      6.081009
  H     -13.219138      2.756872      8.306375
  H     -10.784289      3.047469      8.594423
  N      -5.552565      3.794834      4.349533
  H      -6.413806      3.985210      4.902576
  H      -5.799734      2.976291      3.739043
  H      -5.453629      4.598675      3.716085
99
Coordinates from ORCA-job orca E -6204.961630764361
  N      -2.569009      2.481820      4.338416
  Mo     -3.780344      3.427380      5.604760
  N      -4.719295      2.365434      6.994811
  C      -3.949536      2.024957      8.189242
  C      -2.477684      1.906981      7.816393
  N      -2.080893      3.056491      6.957602
  C      -0.908060      2.744113      6.098154
  C      -1.349202      1.910530      4.903085
  C      -1.878490      4.308326      7.737786
  C      -2.126271      5.515622      6.842244
  N      -3.354357      5.301292      6.076249
  H      -0.533227      1.910794      4.154315
  H      -1.485105      0.852425      5.205162
  H      -0.508441      3.703008      5.740491
  H      -0.121651      2.238861      6.687000
  H      -2.216031      6.414297      7.481468
  H      -1.252634      5.694109      6.183134
  H      -2.619280      4.308499      8.549095
  H      -0.869534      4.323635      8.187298
  H      -4.283704      1.057283      8.610800
  H      -4.081892      2.773521      8.997937
  H      -2.332069      0.997402      7.217213
  H      -1.829607      1.844221      8.708806
  C      -2.825003      2.078269      2.961996
  C      -3.122117      0.581204      2.784176
  C      -4.492889      0.162610      3.355129
  C      -5.628410      0.472551      2.424531
  N      -6.350935      1.578164      2.661144
  C      -7.360949      1.869048      1.805839
  N      -7.740294      1.181912      0.744057
  C      -7.026243      0.042332      0.476849
  C      -7.379894     -0.746151     -0.641208
  C      -6.669614     -1.899152     -0.938489
  C      -5.587936     -2.299197     -0.128363
  C      -5.220405     -1.546032      0.975151
  C      -5.928650     -0.361849      1.305087
  C      -3.991428      6.535625      5.621577
  C      -3.328015      7.189039      4.396046
  C      -3.530073      6.395529      3.107124
  C      -4.934046      6.428474      2.552833
  N      -5.828171      7.241050      3.133533
  C      -7.091543      7.220990      2.651443
  N      -7.576225      6.487576      1.661170
  C      -6.679782      5.658032      1.035238
  C      -7.123701      4.830335     -0.019694
  C      -6.244987      3.960386     -0.647234
  C      -4.897878      3.896598     -0.242888
  C      -4.430935      4.705141      0.782975
  C      -5.307844      5.597752      1.447915
  C      -6.166733      2.306765      7.179748
  C      -6.756511      3.574578      7.817253
  C      -8.280561      3.559456      7.896110
  C      -9.011838      3.744363      6.589761
  N      -8.324536      4.136216      5.515387
  C      -9.013670      4.346385      4.362988
  N     -10.306900      4.192231      4.158423
  C     -11.039273      3.777933      5.239601
  C     -12.433040      3.587193      5.093540
  C     -13.198520      3.186129      6.174628
  C     -12.599348      2.963725      7.432574
  C     -11.236785      3.138351      7.602034
  C     -10.425620      3.543490      6.511854
  H      -1.945073      2.336471      2.337528
  H      -3.668680      2.666614      2.572865
  H      -2.328126     -0.009327      3.268227
  H      -3.076689      0.338204      1.710589
  H      -4.482202     -0.916440      3.573187
  H      -4.663469      0.687304      4.310179
  H      -7.911812      2.789472      2.019713
  H      -8.221784     -0.417189     -1.252255
  H      -6.948682     -2.502787     -1.803948
  H      -5.037108     -3.209300     -0.372356
  H      -4.380582     -1.866550      1.592568
  H      -5.044907      6.331945      5.387159
  H      -3.991838      7.264592      6.455244
  H      -2.248340      7.302321      4.583205
  H      -3.744977      8.199591      4.274524
  H      -2.835527      6.747711      2.324145
  H      -3.238254      5.340463      3.284896
  H      -7.799528      7.883763      3.161342
  H      -8.175852      4.884009     -0.303249
  H      -6.603866      3.304792     -1.441538
  H      -4.221336      3.193673     -0.730506
  H      -3.385262      4.648269      1.086845
  H      -6.425114      1.431928      7.809735
  H      -6.641524      2.134026      6.202089
  H      -6.350961      3.692852      8.834261
  H      -6.421299      4.449919      7.240574
  H      -8.622778      2.622103      8.367294
  H      -8.620628      4.364003      8.572762
  H      -8.417431      4.689280      3.511118
  H     -12.873285      3.769778      4.112338
  H     -14.273889      3.041706      6.056783
  H     -13.216325      2.651262      8.276771
  H     -10.786300      2.965162      8.579707
  N      -5.563127      3.820797      4.355259
  H      -6.419309      4.019688      4.912691
  H      -5.821197      3.002535      3.749199
  H      -5.458362      4.621524      3.718874
99
Coordinates from ORCA-job orca E -6204.961905248821
  N      -2.576650      2.500085      4.326907
  Mo     -3.783299      3.443353      5.598966
  N      -4.716421      2.371280      6.984628
  C      -3.944539      2.027045      8.176644
  C      -2.473013      1.913281      7.800809
  N      -2.080468      3.067019      6.945784
  C      -0.909992      2.759746      6.081267
  C      -1.354062      1.928841      4.885370
  C      -1.878318      4.315624      7.731065
  C      -2.126966      5.526977      6.841444
  N      -3.355552      5.316688      6.075150
  H      -0.540853      1.932360      4.133555
  H      -1.487532      0.869699      5.184877
  H      -0.513334      3.720408      5.725127
  H      -0.120714      2.254075      6.665843
  H      -2.215710      6.422570      7.485237
  H      -1.253794      5.708784      6.182636
  H      -2.618959      4.311438      8.542582
  H      -0.869344      4.329724      8.180680
  H      -4.276803      1.057077      8.594376
  H      -4.076862      2.771852      8.988706
  H      -2.326795      1.006197      7.198068
  H      -1.822930      1.848644      8.691578
  C      -2.843915      2.091898      2.953912
  C      -3.150937      0.596043      2.782491
  C      -4.521114      0.189451      3.363888
  C      -5.662115      0.500053      2.439899
  N      -6.381665      1.606880      2.678693
  C      -7.401460      1.893767      1.833590
  N      -7.793234      1.200684      0.780172
  C      -7.081394      0.060609      0.509735
  C      -7.446872     -0.732800     -0.601094
  C      -6.739091     -1.886605     -0.901307
  C      -5.648796     -2.283028     -0.101146
  C      -5.269769     -1.525077      0.995271
  C      -5.974322     -0.339512      1.327255
  C      -3.986906      6.553662      5.619132
  C      -3.313970      7.209521      4.400123
  C      -3.496319      6.413161      3.110146
  C      -4.893175      6.436350      2.538406
  N      -5.797120      7.252170      3.099274
  C      -7.056073      7.217166      2.606750
  N      -7.529022      6.461288      1.627356
  C      -6.621694      5.630097      1.019867
  C      -7.052155      4.780121     -0.022781
  C      -6.160996      3.910673     -0.633163
  C      -4.814455      3.870101     -0.224375
  C      -4.360979      4.699522      0.791069
  C      -5.251316      5.590232      1.439947
  C      -6.163293      2.300052      7.167465
  C      -6.762985      3.552119      7.825892
  C      -8.287126      3.524135      7.898753
  C      -9.016081      3.730449      6.594368
  N      -8.330958      4.157329      5.532100
  C      -9.019782      4.385826      4.382786
  N     -10.310388      4.218878      4.170690
  C     -11.040001      3.767826      5.238987
  C     -12.430404      3.560189      5.083705
  C     -13.193209      3.121903      6.152089
  C     -12.594660      2.877888      7.406274
  C     -11.235291      3.068230      7.584385
  C     -10.426804      3.511507      6.507161
  H      -1.967305      2.343939      2.322371
  H      -3.687398      2.682591      2.568806
  H      -2.357911      0.001436      3.263184
  H      -3.113585      0.350080      1.709266
  H      -4.516090     -0.888376      3.588592
  H      -4.681069      0.721009      4.317034
  H      -7.949999      2.815022      2.049518
  H      -8.295637     -0.406833     -1.204191
  H      -7.027201     -2.493871     -1.761254
  H      -5.100324     -3.193995     -0.347194
  H      -4.423360     -1.842742      1.605133
  H      -5.039490      6.352739      5.377677
  H      -3.991507      7.280757      6.454478
  H      -2.237058      7.329059      4.599041
  H      -3.734753      8.217801      4.273404
  H      -2.793407      6.766922      2.335295
  H      -3.202070      5.359991      3.293995
  H      -7.771731      7.885092      3.098672
  H      -8.103664      4.816591     -0.311395
  H      -6.509511      3.238918     -1.418537
  H      -4.127166      3.170210     -0.701268
  H      -3.315669      4.661237      1.098713
  H      -6.416272      1.412440      7.781749
  H      -6.636026      2.141413      6.186486
  H      -6.362658      3.655083      8.846590
  H      -6.432014      4.439784      7.265726
  H      -8.623555      2.574611      8.349091
  H      -8.635570      4.311846      8.590742
  H      -8.426351      4.757135      3.540859
  H     -12.870274      3.759825      4.105638
  H     -14.265922      2.964538      6.026986
  H     -13.209416      2.536026      8.240613
  H     -10.785353      2.877775      8.559100
  N      -5.570436      3.847790      4.358382
  H      -6.421244      4.053477      4.921031
  H      -5.838613      3.030680      3.754953
  H      -5.460681      4.646694      3.720770
99
Coordinates from ORCA-job orca E -6204.962153565027
  N      -2.583719      2.517843      4.310746
  Mo     -3.787419      3.455533      5.589845
  N      -4.712709      2.370821      6.970125
  C      -3.937501      2.022714      8.158980
  C      -2.466290      1.915884      7.779477
  N      -2.080253      3.075980      6.929715
  C      -0.911712      2.777450      6.059471
  C      -1.357117      1.949060      4.862469
  C      -1.880232      4.320462      7.721849
  C      -2.133985      5.536837      6.840638
  N      -3.363237      5.328461      6.074927
  H      -0.546738      1.958015      4.107597
  H      -1.485989      0.888441      5.158698
  H      -0.520877      3.741214      5.705256
  H      -0.117933      2.273102      6.639065
  H      -2.223913      6.427812      7.490776
  H      -1.262318      5.725726      6.181771
  H      -2.619443      4.308734      8.534620
  H      -0.870646      4.334926      8.170086
  H      -4.266633      1.049788      8.572241
  H      -4.070345      2.763026      8.974961
  H      -2.318171      1.012489      7.171756
  H      -1.813708      1.849300      8.668234
  C      -2.861601      2.102697      2.941985
  C      -3.176558      0.607209      2.780315
  C      -4.545529      0.211106      3.372009
  C      -5.692246      0.519133      2.454159
  N      -6.411222      1.625622      2.694010
  C      -7.440918      1.905949      1.858793
  N      -7.843179      1.205602      0.814030
  C      -7.130231      0.066947      0.540765
  C      -7.504967     -0.732727     -0.562568
  C      -6.796715     -1.885720     -0.864981
  C      -5.697270     -2.275554     -0.074279
  C      -5.309331     -1.511545      1.014896
  C      -6.013477     -0.326395      1.348315
  C      -3.993676      6.567056      5.621815
  C      -3.313951      7.233752      4.412414
  C      -3.471565      6.438298      3.118772
  C      -4.861352      6.446306      2.530194
  N      -5.776968      7.263206      3.070596
  C      -7.030710      7.211214      2.566798
  N      -7.489593      6.433214      1.597777
  C      -6.569714      5.602309      1.009639
  C      -6.984102      4.731586     -0.022282
  C      -6.078285      3.865919     -0.616523
  C      -4.732783      3.850378     -0.202769
  C      -4.295701      4.698538      0.804706
  C      -5.201479      5.584563      1.438149
  C      -6.158758      2.288534      7.152000
  C      -6.765216      3.524782      7.833187
  C      -8.289402      3.486970      7.902195
  C      -9.016162      3.718001      6.600456
  N      -8.331414      4.175800      5.550951
  C      -9.018635      4.425889      4.405027
  N     -10.307318      4.254528      4.185310
  C     -11.036413      3.772094      5.240006
  C     -12.424592      3.557568      5.075119
  C     -13.187151      3.086862      6.129752
  C     -12.590555      2.816675      7.379499
  C     -11.233296      3.013516      7.566745
  C     -10.424992      3.489525      6.503501
  H      -1.988607      2.347893      2.302871
  H      -3.705338      2.694095      2.559164
  H      -2.383808      0.010671      3.259176
  H      -3.146969      0.356417      1.707994
  H      -4.544294     -0.865088      3.604898
  H      -4.696249      0.750644      4.322165
  H      -7.990362      2.825849      2.077790
  H      -8.361031     -0.412168     -1.158180
  H      -7.091840     -2.497670     -1.719227
  H      -5.148850     -3.186118     -0.321925
  H      -4.456020     -1.824039      1.617804
  H      -5.044308      6.365057      5.372292
  H      -4.005895      7.288809      6.461798
  H      -2.240849      7.364776      4.624427
  H      -3.744242      8.237735      4.283842
  H      -2.762649      6.800781      2.353353
  H      -3.168011      5.388440      3.305114
  H      -7.755087      7.884232      3.038470
  H      -8.034449      4.749957     -0.316933
  H      -6.414284      3.179444     -1.394733
  H      -4.033036      3.156297     -0.670475
  H      -3.251225      4.680203      1.116783
  H      -6.407311      1.388194      7.749502
  H      -6.630695      2.146243      6.168216
  H      -6.367915      3.610754      8.856578
  H      -6.438417      4.424382      7.289667
  H      -8.621358      2.526061      8.331003
  H      -8.643919      4.257231      8.610545
  H      -8.425968      4.820455      3.573079
  H     -12.862956      3.777541      4.100738
  H     -14.258146      2.924038      5.997141
  H     -13.205043      2.449475      8.203191
  H     -10.785094      2.802858      8.538082
  N      -5.580116      3.870480      4.360152
  H      -6.424789      4.080595      4.929898
  H      -5.857969      3.055446      3.758041
  H      -5.468032      4.669220      3.723029
99
Coordinates from ORCA-job orca E -6204.962380159326
  N      -2.589988      2.532467      4.287689
  Mo     -3.787014      3.470522      5.572990
  N      -4.706990      2.376636      6.948766
  C      -3.929377      2.023856      8.134755
  C      -2.458828      1.919648      7.751781
  N      -2.076215      3.083721      6.905997
  C      -0.910830      2.790251      6.029739
  C      -1.360398      1.963994      4.832801
  C      -1.874462      4.323907      7.704280
  C      -2.130075      5.545294      6.830905
  N      -3.361455      5.341877      6.067708
  H      -0.553430      1.974863      4.074233
  H      -1.487138      0.902713      5.127685
  H      -0.523766      3.755891      5.676444
  H      -0.113414      2.285880      6.604327
  H      -2.217531      6.432384      7.486758
  H      -1.260337      5.737821      6.170584
  H      -2.612261      4.307195      8.518233
  H      -0.864126      4.335788      8.150895
  H      -4.257627      1.049072      8.544229
  H      -4.061161      2.760656      8.953971
  H      -2.311023      1.018727      7.140412
  H      -1.804064      1.850660      8.638710
  C      -2.883789      2.104029      2.926255
  C      -3.214698      0.610012      2.783704
  C      -4.584388      0.237789      3.389098
  C      -5.734649      0.543984      2.474723
  N      -6.442485      1.659916      2.703274
  C      -7.478400      1.935369      1.873776
  N      -7.896008      1.221679      0.844011
  C      -7.193245      0.074322      0.581093
  C      -7.583492     -0.738964     -0.506941
  C      -6.886564     -1.901762     -0.798000
  C      -5.783676     -2.288504     -0.010700
  C      -5.380736     -1.511269      1.063677
  C      -6.072499     -0.315725      1.384687
  C      -3.995942      6.583755      5.630240
  C      -3.312326      7.274965      4.437170
  C      -3.439595      6.489950      3.134400
  C      -4.821783      6.477358      2.529160
  N      -5.753969      7.287831      3.050596
  C      -7.001658      7.211937      2.535035
  N      -7.441386      6.409541      1.576633
  C      -6.503553      5.585841      1.007107
  C      -6.895616      4.690640     -0.012761
  C      -5.968432      3.837612     -0.592566
  C      -4.623882      3.859213     -0.176441
  C      -4.209867      4.728243      0.822774
  C      -5.137679      5.600628      1.442455
  C      -6.152319      2.281790      7.128565
  C      -6.768756      3.500546      7.831452
  C      -8.292983      3.448639      7.894272
  C      -9.018526      3.701629      6.595744
  N      -8.337461      4.194116      5.559572
  C      -9.024805      4.459589      4.416989
  N     -10.310237      4.273532      4.189097
  C     -11.035165      3.755383      5.229841
  C     -12.419122      3.521406      5.054927
  C     -13.177184      3.013409      6.095433
  C     -12.580232      2.724015      7.340607
  C     -11.227031      2.939010      7.537253
  C     -10.423334      3.453504      6.488580
  H      -2.014435      2.334237      2.276818
  H      -3.725574      2.697890      2.542972
  H      -2.425739      0.009720      3.264144
  H      -3.195134      0.347073      1.714087
  H      -4.593892     -0.834690      3.638721
  H      -4.722102      0.793480      4.331880
  H      -8.019795      2.861746      2.085298
  H      -8.442252     -0.420902     -1.099980
  H      -7.193550     -2.524037     -1.640544
  H      -5.244572     -3.207025     -0.249203
  H      -4.525014     -1.821461      1.664373
  H      -5.043899      6.379235      5.371443
  H      -4.017860      7.291946      6.481652
  H      -2.244377      7.422004      4.664250
  H      -3.758160      8.272844      4.314393
  H      -2.727732      6.871994      2.381180
  H      -3.119605      5.444427      3.315990
  H      -7.739162      7.884324      2.987115
  H      -7.944766      4.681433     -0.311501
  H      -6.286599      3.133781     -1.362963
  H      -3.906565      3.177715     -0.635552
  H      -3.166508      4.737558      1.138930
  H      -6.395003      1.368196      7.708266
  H      -6.623067      2.155781      6.142168
  H      -6.375930      3.570588      8.857710
  H      -6.447603      4.412042      7.304484
  H      -8.617198      2.475007      8.299707
  H      -8.656751      4.198752      8.619334
  H      -8.435456      4.880614      3.595122
  H     -12.857858      3.756370      4.084228
  H     -14.244825      2.835717      5.955027
  H     -13.191002      2.327289      8.153305
  H     -10.778566      2.712796      8.504977
  N      -5.583045      3.901353      4.353267
  H      -6.421512      4.116373      4.930043
  H      -5.871806      3.089204      3.752505
  H      -5.467144      4.700057      3.716792
99
Coordinates from ORCA-job orca E -6204.962546022666
  N      -2.595528      2.545413      4.263496
  Mo     -3.788473      3.478322      5.557265
  N      -4.699024      2.372963      6.929331
  C      -3.916391      2.016477      8.110927
  C      -2.446709      1.919870      7.722333
  N      -2.071777      3.090516      6.881633
  C      -0.909294      2.807134      5.998185
  C      -1.360411      1.981964      4.801167
  C      -1.871644      4.326410      7.687080
  C      -2.137552      5.552902      6.823750
  N      -3.371144      5.348945      6.064226
  H      -0.557187      1.998436      4.038721
  H      -1.480716      0.919364      5.094030
  H      -0.530599      3.776529      5.646029
  H      -0.105492      2.305945      6.566643
  H      -2.226878      6.434496      7.486824
  H      -1.271605      5.755099      6.161395
  H      -2.605201      4.300643      8.504603
  H      -0.859202      4.339788      8.128844
  H      -4.240383      1.038580      8.516341
  H      -4.047997      2.748676      8.934180
  H      -2.297381      1.022911      7.105581
  H      -1.788538      1.848920      8.606573
  C      -2.902716      2.103414      2.909006
  C      -3.243278      0.609418      2.784345
  C      -4.610748      0.252963      3.404300
  C      -5.766716      0.553199      2.495073
  N      -6.467163      1.675178      2.714643
  C      -7.509412      1.945123      1.891312
  N      -7.939992      1.219958      0.874885
  C      -7.244226      0.066307      0.620336
  C      -7.647498     -0.759001     -0.453883
  C      -6.958613     -1.928830     -0.735814
  C      -5.850866     -2.310967      0.046861
  C      -5.435069     -1.521904      1.107704
  C      -6.118416     -0.319100      1.419182
  C      -4.016900      6.590765      5.643660
  C      -3.333418      7.312644      4.468736
  C      -3.425493      6.541409      3.154645
  C      -4.799748      6.503076      2.532620
  N      -5.750928      7.300662      3.039210
  C      -6.991416      7.200735      2.510981
  N      -7.408804      6.380503      1.557671
  C      -6.451177      5.570694      1.002048
  C      -6.818430      4.659396     -0.012984
  C      -5.868388      3.826555     -0.585507
  C      -4.525865      3.883541     -0.166051
  C      -4.137181      4.764914      0.832736
  C      -5.088419      5.617283      1.445501
  C      -6.143228      2.267070      7.109360
  C      -6.766973      3.468829      7.834424
  C      -8.291177      3.404984      7.892421
  C      -9.012805      3.683947      6.596528
  N      -8.329092      4.203175      5.575225
  C      -9.011641      4.491705      4.435424
  N     -10.295299      4.307363      4.197423
  C     -11.023123      3.762869      5.222387
  C     -12.405411      3.529409      5.035229
  C     -13.166660      2.993434      6.059257
  C     -12.574662      2.675447      7.299804
  C     -11.223132      2.890187      7.508385
  C     -10.416146      3.432619      6.476500
  H      -2.037743      2.322459      2.249988
  H      -3.744467      2.696627      2.524951
  H      -2.454622      0.008435      3.264434
  H      -3.234495      0.335895      1.717250
  H      -4.624956     -0.815764      3.669149
  H      -4.736823      0.822593      4.340290
  H      -8.046225      2.875246      2.098583
  H      -8.509786     -0.444579     -1.043727
  H      -7.275764     -2.560409     -1.567590
  H      -5.318343     -3.235105     -0.184527
  H      -4.575662     -1.828207      1.705129
  H      -5.060598      6.377865      5.374292
  H      -4.053311      7.283398      6.507501
  H      -2.272248      7.481131      4.712080
  H      -3.800641      8.301574      4.353542
  H      -2.714442      6.950754      2.414929
  H      -3.081541      5.502381      3.328086
  H      -7.743749      7.867584      2.946287
  H      -7.865680      4.624233     -0.316604
  H      -6.166414      3.112712     -1.354982
  H      -3.790039      3.219281     -0.621930
  H      -3.096112      4.798701      1.154810
  H      -6.380757      1.341315      7.671813
  H      -6.614181      2.157724      6.121125
  H      -6.376368      3.522298      8.862446
  H      -6.451541      4.391695      7.323884
  H      -8.609533      2.419622      8.273519
  H      -8.662768      4.133785      8.635018
  H      -8.419430      4.930507      3.624892
  H     -12.840268      3.786372      4.068365
  H     -14.233019      2.815730      5.909363
  H     -13.187937      2.257025      8.099647
  H     -10.778718      2.642327      8.472666
  N      -5.590302      3.918106      4.350386
  H      -6.421098      4.138504      4.935735
  H      -5.889348      3.106217      3.753812
  H      -5.474762      4.714905      3.711770
99
Coordinates from ORCA-job orca E -6204.962621542759
  N      -2.603152      2.550662      4.252089
  Mo     -3.791230      3.486640      5.549383
  N      -4.698695      2.381336      6.923519
  C      -3.913320      2.026989      8.103838
  C      -2.444832      1.929095      7.711535
  N      -2.071305      3.099177      6.869490
  C      -0.912254      2.816544      5.981612
  C      -1.366170      1.989088      4.787437
  C      -1.867894      4.334527      7.674812
  C      -2.141476      5.562049      6.815628
  N      -3.378281      5.357308      6.061408
  H      -0.565126      2.004573      4.022803
  H      -1.485185      0.926968      5.082652
  H      -0.538315      3.786850      5.626749
  H      -0.104396      2.318387      6.546928
  H      -2.231008      6.441300      7.482004
  H      -1.278869      5.768987      6.150441
  H      -2.595438      4.305769      8.497547
  H      -0.852216      4.348897      8.108994
  H      -4.236643      1.049963      8.511918
  H      -4.042834      2.761071      8.925705
  H      -2.297724      1.031804      7.094797
  H      -1.784585      1.858068      8.594279
  C      -2.917404      2.099716      2.901933
  C      -3.275866      0.608544      2.790257
  C      -4.646725      0.275872      3.415114
  C      -5.799808      0.578446      2.503276
  N      -6.494218      1.704504      2.718134
  C      -7.536057      1.976423      1.895256
  N      -7.970579      1.249816      0.881329
  C      -7.279359      0.092445      0.629995
  C      -7.685916     -0.734270     -0.441888
  C      -7.003465     -1.909087     -0.718804
  C      -5.899363     -2.295502      0.066982
  C      -5.480448     -1.505078      1.125638
  C      -6.156676     -0.296750      1.431306
  C      -4.022009      6.600210      5.641915
  C      -3.329117      7.328589      4.476488
  C      -3.398478      6.560694      3.158301
  C      -4.765527      6.507858      2.521341
  N      -5.725784      7.307725      3.006498
  C      -6.960039      7.193113      2.467315
  N      -7.364622      6.352080      1.526526
  C      -6.396598      5.542254      0.989755
  C      -6.748337      4.614153     -0.015813
  C      -5.784300      3.790512     -0.578367
  C      -4.444030      3.870759     -0.156051
  C      -4.071500      4.764395      0.838065
  C      -5.036876      5.609107      1.440349
  C      -6.142070      2.266299      7.104921
  C      -6.771404      3.456818      7.843791
  C      -8.295800      3.384727      7.898754
  C      -9.020011      3.676672      6.606931
  N      -8.343563      4.218630      5.592813
  C      -9.030692      4.512773      4.457057
  N     -10.311902      4.314616      4.216492
  C     -11.031984      3.747010      5.234014
  C     -12.410655      3.495355      5.043175
  C     -13.163714      2.933455      6.059355
  C     -12.566777      2.606574      7.295081
  C     -11.218500      2.838458      7.506816
  C     -10.419889      3.408138      6.483166
  H      -2.050604      2.303092      2.240335
  H      -3.751749      2.699496      2.511985
  H      -2.494539      0.001301      3.274329
  H      -3.273121      0.325483      1.725649
  H      -4.673849     -0.789129      3.693521
  H      -4.765182      0.858216      4.343871
  H      -8.072751      2.906363      2.105112
  H      -8.545678     -0.417153     -1.033954
  H      -7.323211     -2.541715     -1.548750
  H      -5.372378     -3.223850     -0.160178
  H      -4.623840     -1.814374      1.725549
  H      -5.062957      6.387087      5.363019
  H      -4.066044      7.288514      6.508977
  H      -2.272413      7.504569      4.733360
  H      -3.802549      8.314175      4.358219
  H      -2.686376      6.985336      2.428053
  H      -3.042302      5.525718      3.329332
  H      -7.719636      7.865336      2.880978
  H      -7.793253      4.563019     -0.324301
  H      -6.068887      3.067690     -1.344733
  H      -3.696249      3.216355     -0.607610
  H      -3.032636      4.813063      1.165542
  H      -6.374213      1.332408      7.656174
  H      -6.614584      2.166871      6.116485
  H      -6.382721      3.499799      8.872980
  H      -6.459757      4.386069      7.342743
  H      -8.607927      2.391565      8.264822
  H      -8.672369      4.098935      8.652888
  H      -8.443640      4.964544      3.650099
  H     -12.849299      3.758895      4.079839
  H     -14.227266      2.741640      5.906873
  H     -13.173466      2.167105      8.088630
  H     -10.770041      2.582700      8.467140
  N      -5.595166      3.933354      4.349982
  H      -6.418525      4.159965      4.942441
  H      -5.903616      3.120503      3.758929
  H      -5.479234      4.727165      3.708013
99
Coordinates from ORCA-job orca E -6204.962621163095
  N      -2.601736      2.550702      4.247509
  Mo     -3.785801      3.491746      5.541978
  N      -4.695267      2.391226      6.918774
  C      -3.909984      2.030625      8.097173
  C      -2.441953      1.931275      7.704209
  N      -2.065398      3.099941      6.861807
  C      -0.907095      2.812454      5.974658
  C      -1.364536      1.986834      4.779788
  C      -1.860164      4.336481      7.665921
  C      -2.123540      5.562093      6.800129
  N      -3.359486      5.361138      6.043523
  H      -0.565482      2.001998      4.012979
  H      -1.483712      0.924361      5.073759
  H      -0.527634      3.780902      5.620492
  H      -0.101959      2.310053      6.540138
  H      -2.207196      6.446647      7.459857
  H      -1.258993      5.758060      6.134193
  H      -2.593153      4.312744      8.484198
  H      -0.846822      4.347270      8.105798
  H      -4.233899      1.051923      8.500842
  H      -4.039256      2.760248      8.923071
  H      -2.296339      1.033450      7.087928
  H      -1.781962      1.858884      8.587099
  C      -2.924817      2.097191      2.899868
  C      -3.287568      0.607184      2.792534
  C      -4.652801      0.275191      3.430955
  C      -5.815587      0.578935      2.530264
  N      -6.513837      1.702474      2.753803
  C      -7.565938      1.970060      1.941544
  N      -8.003057      1.245923      0.927294
  C      -7.308345      0.092631      0.667044
  C      -7.718634     -0.732125     -0.404713
  C      -7.033501     -1.903554     -0.690150
  C      -5.922865     -2.287860      0.086946
  C      -5.499782     -1.498992      1.145121
  C      -6.178612     -0.294712      1.459537
  C      -4.022800      6.601997      5.647265
  C      -3.346319      7.347533      4.483639
  C      -3.403553      6.580024      3.164207
  C      -4.766802      6.514861      2.519868
  N      -5.739676      7.299673      3.003548
  C      -6.969082      7.173993      2.454536
  N      -7.356951      6.333631      1.506271
  C      -6.376142      5.535462      0.973539
  C      -6.710508      4.604783     -0.035681
  C      -5.732823      3.794859     -0.594582
  C      -4.395910      3.892612     -0.164611
  C      -4.041019      4.787862      0.833717
  C      -5.020621      5.617394      1.433721
  C      -6.138248      2.266858      7.095380
  C      -6.776529      3.446195      7.844421
  C      -8.299610      3.358672      7.897740
  C      -9.021057      3.664811      6.608344
  N      -8.340915      4.223264      5.605195
  C      -9.023433      4.532206      4.470833
  N     -10.304140      4.337259      4.222900
  C     -11.027595      3.752597      5.229092
  C     -12.405592      3.503468      5.029927
  C     -13.161748      2.925463      6.034810
  C     -12.568776      2.579793      7.267295
  C     -11.221254      2.808812      7.487091
  C     -10.419551      3.394558      6.474952
  H      -2.061322      2.298481      2.233601
  H      -3.759692      2.698842      2.513848
  H      -2.502210     -0.000773      3.269179
  H      -3.295494      0.321871      1.728496
  H      -4.677256     -0.790896      3.705826
  H      -4.762769      0.853536      4.363642
  H      -8.109135      2.894353      2.160289
  H      -8.583404     -0.416482     -0.990152
  H      -7.355983     -2.534686     -1.520321
  H      -5.393271     -3.213170     -0.146837
  H      -4.637258     -1.806711      1.737218
  H      -5.063385      6.380943      5.372570
  H      -4.068108      7.279500      6.522544
  H      -2.293231      7.544320      4.739669
  H      -3.841030      8.322796      4.367231
  H      -2.694063      7.014011      2.437037
  H      -3.039635      5.547731      3.335294
  H      -7.738983      7.836827      2.864814
  H      -7.752748      4.541753     -0.350547
  H      -6.002956      3.071461     -1.365447
  H      -3.634881      3.253684     -0.616188
  H      -3.004718      4.848412      1.167220
  H      -6.366030      1.326470      7.637343
  H      -6.606953      2.172993      6.104172
  H      -6.387782      3.483847      8.873814
  H      -6.471873      4.382164      7.351833
  H      -8.602873      2.356514      8.246553
  H      -8.684417      4.055506      8.664035
  H      -8.434265      5.000509      3.675065
  H     -12.841331      3.781932      4.069409
  H     -14.224702      2.735620      5.875886
  H     -13.177996      2.128307      8.052224
  H     -10.776240      2.539116      8.445319
  N      -5.589092      3.941906      4.344772
  H      -6.410628      4.181836      4.934234
  H      -5.902690      3.122263      3.765584
  H      -5.467273      4.725386      3.690608
99
Coordinates from ORCA-job orca E -6204.962670290073
  N      -2.608375      2.557080      4.246148
  Mo     -3.796312      3.489867      5.545489
  N      -4.699098      2.381961      6.920286
  C      -3.910698      2.024299      8.097521
  C      -2.442685      1.931225      7.702132
  N      -2.072887      3.104148      6.862368
  C      -0.914531      2.825766      5.972531
  C      -1.368088      1.999365      4.777582
  C      -1.871712      4.339213      7.669088
  C      -2.147061      5.566771      6.809947
  N      -3.383271      5.360283      6.054860
  H      -0.569077      2.019681      4.010875
  H      -1.481912      0.935962      5.070562
  H      -0.543058      3.797615      5.619220
  H      -0.104572      2.328302      6.535496
  H      -2.237702      6.446227      7.475770
  H      -1.284773      5.774532      6.144680
  H      -2.599296      4.308606      8.491804
  H      -0.855989      4.354988      8.103118
  H      -4.230440      1.044526      8.502000
  H      -4.040681      2.753972      8.923253
  H      -2.294699      1.035835      7.082827
  H      -1.781019      1.858856      8.583780
  C      -2.925261      2.101980      2.897753
  C      -3.283828      0.610600      2.790150
  C      -4.651761      0.273858      3.420032
  C      -5.810739      0.576363      2.515225
  N      -6.513893      1.694446      2.743275
  C      -7.563220      1.964024      1.928702
  N      -7.994092      1.244331      0.908393
  C      -7.293176      0.096117      0.642453
  C      -7.695474     -0.722705     -0.437011
  C      -7.004474     -1.889291     -0.727388
  C      -5.896037     -2.275252      0.052332
  C      -5.480667     -1.492104      1.117835
  C      -6.164885     -0.291787      1.436547
  C      -4.035754      6.601100      5.641108
  C      -3.347548      7.337470      4.478040
  C      -3.400430      6.566444      3.160674
  C      -4.761740      6.500385      2.512336
  N      -5.734363      7.289964      2.989081
  C      -6.963452      7.160605      2.440807
  N      -7.352245      6.311046      1.501173
  C      -6.371284      5.511169      0.972755
  C      -6.706293      4.574035     -0.029982
  C      -5.728499      3.762349     -0.586041
  C      -4.390478      3.865313     -0.160478
  C      -4.034751      4.767282      0.832156
  C      -5.014877      5.597665      1.430203
  C      -6.141452      2.259636      7.101713
  C      -6.773857      3.439962      7.854447
  C      -8.297475      3.359994      7.910712
  C      -9.021278      3.668941      6.622853
  N      -8.341531      4.219816      5.615290
  C      -9.026878      4.530019      4.482839
  N     -10.309622      4.343860      4.240639
  C     -11.033048      3.768469      5.251494
  C     -12.413665      3.530267      5.058534
  C     -13.170130      2.960201      6.067607
  C     -12.574728      2.612181      7.298320
  C     -11.224665      2.831502      7.512308
  C     -10.422543      3.408928      6.495747
  H      -2.059255      2.303408      2.234686
  H      -3.758725      2.702389      2.507627
  H      -2.499507      0.005215      3.271904
  H      -3.284790      0.326201      1.725946
  H      -4.675200     -0.792564      3.693780
  H      -4.766762      0.851585      4.352289
  H      -8.109568      2.885809      2.151130
  H      -8.559215     -0.406576     -1.023816
  H      -7.321107     -2.515894     -1.563088
  H      -5.362451     -3.197263     -0.184968
  H      -4.620489     -1.801050      1.712796
  H      -5.075147      6.382707      5.360021
  H      -4.084735      7.285370      6.510925
  H      -2.294693      7.528832      4.739365
  H      -3.834731      8.315761      4.355189
  H      -2.687677      6.998688      2.435557
  H      -3.037606      5.534484      3.334611
  H      -7.732784      7.827964      2.844202
  H      -7.749270      4.507933     -0.342361
  H      -5.999395      3.033560     -1.351601
  H      -3.629411      3.224858     -0.610535
  H      -2.997751      4.832174      1.162760
  H      -6.370156      1.319441      7.643603
  H      -6.613635      2.168703      6.112139
  H      -6.382754      3.473543      8.883039
  H      -6.467171      4.375857      7.362888
  H      -8.604553      2.359631      8.261410
  H      -8.677517      4.059260      8.677185
  H      -8.437496      4.988706      3.681735
  H     -12.850996      3.809987      4.099145
  H     -14.235162      2.778249      5.913404
  H     -13.184164      2.166629      8.086357
  H     -10.777647      2.560239      8.469062
  N      -5.603908      3.936333      4.351823
  H      -6.423290      4.170156      4.946176
  H      -5.918229      3.119644      3.768791
  H      -5.488061      4.723982      3.701973
99
Coordinates from ORCA-job orca E -6204.962675944410
  N      -2.611490      2.559584      4.244085
  Mo     -3.797963      3.492716      5.544523
  N      -4.701045      2.384971      6.919006
  C      -3.912550      2.026317      8.095887
  C      -2.444683      1.931942      7.700062
  N      -2.074563      3.104687      6.860648
  C      -0.916713      2.826276      5.970086
  C      -1.371144      2.001018      4.774592
  C      -1.872507      4.339119      7.667962
  C      -2.146080      5.567308      6.809362
  N      -3.382253      5.362456      6.054108
  H      -0.572400      2.021696      4.007568
  H      -1.485163      0.937412      5.066746
  H      -0.544661      3.798093      5.617375
  H      -0.106899      2.327880      6.532433
  H      -2.235708      6.446549      7.475608
  H      -1.283412      5.774223      6.144316
  H      -2.600409      4.309003      8.490351
  H      -0.856959      4.353647      8.102413
  H      -4.232971      1.046676      8.500109
  H      -4.041464      2.755888      8.921836
  H      -2.297590      1.036537      7.080568
  H      -1.782818      1.858903      8.581471
  C      -2.929910      2.104378      2.896084
  C      -3.290181      0.613772      2.789251
  C      -4.659264      0.280022      3.417848
  C      -5.817065      0.583564      2.511784
  N      -6.519836      1.702235      2.738532
  C      -7.568726      1.971374      1.922933
  N      -8.000292      1.249747      0.904256
  C      -7.299708      0.101190      0.639727
  C      -7.702187     -0.718948     -0.438763
  C      -7.011584     -1.886143     -0.727446
  C      -5.903594     -2.271621      0.053150
  C      -5.488042     -1.487115      1.117618
  C      -6.171490     -0.285848      1.434177
  C      -4.031949      6.604344      5.640084
  C      -3.341298      7.340372      4.478431
  C      -3.391938      6.569085      3.161559
  C      -4.752185      6.501358      2.511658
  N      -5.727563      7.288029      2.987593
  C      -6.956277      7.153257      2.439613
  N      -7.342139      6.300199      1.501786
  C      -6.358005      5.503538      0.974123
  C      -6.689229      4.562315     -0.026122
  C      -5.708276      3.753049     -0.580025
  C      -4.370526      3.863368     -0.155657
  C      -4.018281      4.769749      0.834084
  C      -5.001789      5.597000      1.430387
  C      -6.143340      2.262611      7.101044
  C      -6.775586      3.443386      7.853125
  C      -8.299183      3.363627      7.909454
  C      -9.025099      3.669433      6.622127
  N      -8.348530      4.219143      5.611698
  C      -9.037102      4.524572      4.479785
  N     -10.319781      4.333023      4.240330
  C     -11.039737      3.758317      5.254335
  C     -12.419901      3.513667      5.064761
  C     -13.172338      2.944153      6.077140
  C     -12.573390      2.602734      7.307936
  C     -11.223841      2.828062      7.518578
  C     -10.425827      3.405306      6.498654
  H      -2.063646      2.303907      2.232771
  H      -3.762555      2.706260      2.505861
  H      -2.507236      0.007973      3.272724
  H      -3.289834      0.328548      1.725239
  H      -4.684699     -0.786283      3.692317
  H      -4.774030      0.858636      4.349619
  H      -8.114829      2.893571      2.143673
  H      -8.565829     -0.403316     -1.025975
  H      -7.328347     -2.513654     -1.562431
  H      -5.370551     -3.194381     -0.182490
  H      -4.628456     -1.795894      1.713528
  H      -5.071277      6.387685      5.357685
  H      -4.080969      7.288343      6.510128
  H      -2.288758      7.531468      4.741334
  H      -3.827685      8.318943      4.354485
  H      -2.677904      7.000939      2.437480
  H      -3.029836      5.537071      3.336261
  H      -7.728066      7.818235      2.842374
  H      -7.731934      4.490429     -0.337914
  H      -5.976650      3.020114     -1.342552
  H      -3.607017      3.224583     -0.603181
  H      -2.981372      4.840515      1.163742
  H      -6.371532      1.322626      7.643523
  H      -6.616251      2.171397      6.111993
  H      -6.384665      3.477619      8.881760
  H      -6.468669      4.378908      7.360933
  H      -8.605739      2.363570      8.261669
  H      -8.679088      4.064135      8.674837
  H      -8.450279      4.982531      3.675896
  H     -12.860054      3.788290      4.105194
  H     -14.236892      2.757422      5.925431
  H     -13.179576      2.157270      8.098502
  H     -10.773840      2.561305      8.475188
  N      -5.605093      3.941182      4.350302
  H      -6.425238      4.172796      4.944760
  H      -5.919293      3.126034      3.765446
  H      -5.488919      4.730233      3.702263
99
Coordinates from ORCA-job orca E -6204.962679602983
  N      -2.611445      2.558152      4.246843
  Mo     -3.799169      3.490693      5.546786
  N      -4.701319      2.383922      6.922678
  C      -3.912309      2.026567      8.099581
  C      -2.444403      1.933135      7.703541
  N      -2.075413      3.105606      6.863339
  C      -0.917195      2.827538      5.973150
  C      -1.370713      2.000997      4.778169
  C      -1.874705      4.341007      7.669453
  C      -2.149428      5.568132      6.809485
  N      -3.384917      5.361029      6.053856
  H      -0.571713      2.022001      4.011402
  H      -1.483814      0.937466      5.070844
  H      -0.545800      3.799321      5.619696
  H      -0.107072      2.330256      6.536030
  H      -2.240418      6.447919      7.474802
  H      -1.286758      5.775445      6.144594
  H      -2.602450      4.311149      8.491958
  H      -0.859180      4.357070      8.103887
  H      -4.231847      1.046950      8.504537
  H      -4.041496      2.756559      8.925084
  H      -2.296750      1.037489      7.084513
  H      -1.782346      1.861068      8.584866
  C      -2.927914      2.103913      2.898042
  C      -3.285737      0.613152      2.788345
  C      -4.655157      0.276962      3.414753
  C      -5.812379      0.582288      2.508539
  N      -6.516775      1.699233      2.738756
  C      -7.565072      1.970232      1.922953
  N      -7.995673      1.250971      0.902211
  C      -7.293576      0.104133      0.634254
  C      -7.694912     -0.713228     -0.446778
  C      -7.002978     -1.878833     -0.738726
  C      -5.894854     -2.265502      0.041063
  C      -5.480368     -1.483665      1.107939
  C      -6.165106     -0.284010      1.427784
  C      -4.035718      6.601643      5.637574
  C      -3.345455      7.336551      4.474838
  C      -3.395272      6.564230      3.158463
  C      -4.754894      6.497051      2.507174
  N      -5.730615      7.283421      2.982841
  C      -6.958928      7.149151      2.433754
  N      -7.344415      6.295990      1.496017
  C      -6.360100      5.499264      0.968886
  C      -6.691252      4.557133     -0.030556
  C      -5.710195      3.747945     -0.584282
  C      -4.372123      3.859754     -0.161175
  C      -4.019950      4.766830      0.828093
  C      -5.003798      5.593395      1.424984
  C      -6.143512      2.260901      7.105284
  C      -6.776458      3.440971      7.857824
  C      -8.299994      3.360013      7.914314
  C      -9.025848      3.667596      6.627362
  N      -8.347850      4.213718      5.615920
  C      -9.035826      4.520622      4.484122
  N     -10.319402      4.334133      4.245739
  C     -11.041082      3.763678      5.260995
  C     -12.422459      3.524927      5.072841
  C     -13.176509      2.959528      6.086338
  C     -12.578039      2.616495      7.316930
  C     -11.227363      2.836213      7.526292
  C     -10.427736      3.409137      6.505192
  H      -2.061195      2.305529      2.235942
  H      -3.760963      2.705232      2.507798
  H      -2.502556      0.007599      3.271755
  H      -3.283395      0.329940      1.723787
  H      -4.680067     -0.790126      3.686389
  H      -4.770805      0.853092      4.347973
  H      -8.112742      2.890852      2.146480
  H      -8.558803     -0.396799     -1.033194
  H      -7.318855     -2.504164     -1.575680
  H      -5.360945     -3.187155     -0.196946
  H      -4.620867     -1.793394      1.703467
  H      -5.074825      6.383618      5.355399
  H      -4.085528      7.287025      6.506519
  H      -2.292987      7.528351      4.737615
  H      -3.832080      8.314819      4.349561
  H      -2.680097      6.995149      2.434968
  H      -3.034519      5.531935      3.334075
  H      -7.730631      7.814683      2.835563
  H      -7.734093      4.484580     -0.341865
  H      -5.978643      3.013899     -1.345724
  H      -3.608521      3.220529     -0.608044
  H      -2.982981      4.837969      1.157513
  H      -6.371008      1.320859      7.647946
  H      -6.616764      2.169523      6.116463
  H      -6.385442      3.474957      8.886426
  H      -6.470136      4.377043      7.366200
  H      -8.606026      2.359078      8.264721
  H      -8.680403      4.058555      8.681205
  H      -8.447349      4.974791      3.679196
  H     -12.862232      3.800689      4.113423
  H     -14.241995      2.777366      5.935688
  H     -13.185512      2.174275      8.108313
  H     -10.777644      2.568291      8.482708
  N      -5.606856      3.936078      4.351959
  H      -6.426927      4.168565      4.946476
  H      -5.921106      3.119801      3.768725
  H      -5.491594      4.723774      3.702324
99
Coordinates from ORCA-job orca E -6204.962683362479
  N      -2.612541      2.559923      4.247066
  Mo     -3.802218      3.488810      5.547855
  N      -4.702681      2.380918      6.923763
  C      -3.912760      2.023437      8.100031
  C      -2.444746      1.932465      7.703501
  N      -2.077607      3.106119      6.864100
  C      -0.918817      2.830450      5.973902
  C      -1.370993      2.004279      4.778165
  C      -1.879130      4.341532      7.670676
  C      -2.155263      5.568490      6.810804
  N      -3.389724      5.359299      6.054176
  H      -0.571917      2.027389      4.011529
  H      -1.482348      0.940275      5.069715
  H      -0.548492      3.802923      5.621233
  H      -0.108187      2.333758      6.536578
  H      -2.248249      6.448022      7.476139
  H      -1.292498      5.777371      6.146499
  H      -2.607195      4.310378      8.492847
  H      -0.863836      4.359100      8.105641
  H      -4.230868      1.043032      8.504190
  H      -4.042577      2.752453      8.926296
  H      -2.295967      1.037518      7.083718
  H      -1.782408      1.860560      8.584645
  C      -2.926920      2.107794      2.897048
  C      -3.279988      0.616230      2.783795
  C      -4.648854      0.273655      3.407797
  C      -5.806663      0.578837      2.502326
  N      -6.515020      1.692326      2.736876
  C      -7.564272      1.962641      1.922037
  N      -7.992352      1.245642      0.898640
  C      -7.286020      0.102502      0.626104
  C      -7.684596     -0.712276     -0.457912
  C      -6.988258     -1.874092     -0.754543
  C      -5.878414     -2.259444      0.023413
  C      -5.466575     -1.480078      1.093152
  C      -6.155916     -0.284368      1.417903
  C      -4.043106      6.598536      5.637690
  C      -3.354450      7.334113      4.474453
  C      -3.400836      6.559415      3.159316
  C      -4.759539      6.487980      2.506454
  N      -5.738779      7.270135      2.981733
  C      -6.965845      7.132328      2.430562
  N      -7.346976      6.278776      1.491544
  C      -6.359201      5.485813      0.965221
  C      -6.685712      4.543194     -0.035313
  C      -5.700971      3.738322     -0.588854
  C      -4.363614      3.855248     -0.164691
  C      -4.016015      4.762743      0.825826
  C      -5.003749      5.584639      1.422853
  C      -6.144761      2.258102      7.107433
  C      -6.776774      3.438359      7.860536
  C      -8.300190      3.357697      7.919399
  C      -9.027610      3.667652      6.633845
  N      -8.348598      4.206658      5.619220
  C      -9.037353      4.515086      4.488378
  N     -10.322863      4.337736      4.254059
  C     -11.045899      3.775469      5.272873
  C     -12.429616      3.547208      5.089440
  C     -13.185004      2.989966      6.106494
  C     -12.585541      2.644926      7.336056
  C     -11.232553      2.854614      7.540913
  C     -10.431644      3.419070      6.516132
  H      -2.060405      2.313368      2.235853
  H      -3.761352      2.707789      2.507865
  H      -2.495302      0.012314      3.266814
  H      -3.275247      0.335535      1.718577
  H      -4.670649     -0.794608      3.675008
  H      -4.766876      0.845640      4.343248
  H      -8.114840      2.880899      2.148265
  H      -8.549881     -0.396888     -1.042833
  H      -7.301937     -2.497332     -1.593878
  H      -5.341061     -3.178148     -0.218191
  H      -4.605775     -1.788827      1.687297
  H      -5.081754      6.378266      5.355538
  H      -4.094365      7.284213      6.506335
  H      -2.302777      7.529794      4.737591
  H      -3.844158      8.310553      4.347058
  H      -2.685408      6.990396      2.436145
  H      -3.038675      5.527931      3.337122
  H      -7.740203      7.795370      2.831414
  H      -7.727929      4.467049     -0.347872
  H      -5.965837      3.003794     -1.351097
  H      -3.596856      3.219477     -0.611360
  H      -2.979598      4.837751      1.156135
  H      -6.372095      1.318328      7.650612
  H      -6.618674      2.166658      6.118947
  H      -6.384157      3.472307      8.888555
  H      -6.470946      4.374510      7.368658
  H      -8.606085      2.356218      8.268619
  H      -8.679460      4.054671      8.688246
  H      -8.447805      4.963082      3.680883
  H     -12.870140      3.824319      4.130746
  H     -14.252356      2.815904      5.959467
  H     -13.194119      2.209244      8.130227
  H     -10.781979      2.585425      8.496586
  N      -5.610622      3.930870      4.352482
  H      -6.431396      4.161274      4.946974
  H      -5.923060      3.114312      3.768586
  H      -5.497195      4.719107      3.703221
99
Coordinates from ORCA-job orca E -6204.962687490805
  N      -2.612843      2.560629      4.246783
  Mo     -3.804562      3.486060      5.548276
  N      -4.703629      2.377288      6.924189
  C      -3.912952      2.019884      8.100012
  C      -2.444849      1.931208      7.703203
  N      -2.079564      3.105976      6.864521
  C      -0.920080      2.832887      5.974392
  C      -1.370557      2.006701      4.777985
  C      -1.883636      4.341238      7.671931
  C      -2.161429      5.568207      6.812625
  N      -3.394644      5.356815      6.054570
  H      -0.571215      2.031795      4.011678
  H      -1.480101      0.942293      5.068703
  H      -0.551329      3.806177      5.622353
  H      -0.108794      2.337238      6.537030
  H      -2.256847      6.447189      7.478309
  H      -1.298460      5.779124      6.149218
  H      -2.612183      4.308192      8.493604
  H      -0.868645      4.360380      8.107576
  H      -4.229837      1.038827      8.503501
  H      -4.043474      2.748219      8.926776
  H      -2.294792      1.036867      7.082858
  H      -1.782314      1.859757      8.584246
  C      -2.925499      2.110141      2.895881
  C      -3.275377      0.618024      2.779884
  C      -4.644480      0.271467      3.400949
  C      -5.801998      0.576131      2.494841
  N      -6.513203      1.687419      2.731022
  C      -7.563387      1.956052      1.916784
  N      -7.989926      1.239173      0.892639
  C      -7.280406      0.098478      0.618188
  C      -7.677154     -0.715930     -0.466797
  C      -6.977422     -1.875182     -0.765552
  C      -5.865995     -2.258298      0.011199
  C      -5.456008     -1.479298      1.081947
  C      -6.148828     -0.286234      1.408895
  C      -4.050619      6.594845      5.638352
  C      -3.362754      7.333234      4.476418
  C      -3.404927      6.559543      3.160515
  C      -4.762362      6.484948      2.505407
  N      -5.745132      7.262688      2.980583
  C      -6.970962      7.121066      2.427546
  N      -7.347716      6.267114      1.487176
  C      -6.356372      5.478351      0.961207
  C      -6.678145      4.534990     -0.040181
  C      -5.689782      3.734064     -0.592992
  C      -4.353287      3.855865     -0.167448
  C      -4.010287      4.764277      0.823799
  C      -5.001849      5.581964      1.420399
  C      -6.145609      2.254858      7.108996
  C      -6.776773      3.436193      7.861068
  C      -8.300039      3.355801      7.922111
  C      -9.029380      3.666800      6.637840
  N      -8.350210      4.197474      5.618946
  C      -9.040661      4.506196      4.489238
  N     -10.328185      4.337010      4.259991
  C     -11.051586      3.783707      5.283415
  C     -12.437570      3.564769      5.105936
  C     -13.193187      3.016675      6.127829
  C     -12.591717      2.671725      7.356417
  C     -11.236471      2.872450      7.555527
  C     -10.435461      3.427537      6.525780
  H      -2.059091      2.318588      2.235421
  H      -3.760920      2.709036      2.507256
  H      -2.490254      0.015195      3.263543
  H      -3.267925      0.338927      1.714256
  H      -4.664516     -0.797438      3.665656
  H      -4.765228      0.841006      4.337554
  H      -8.115958      2.872871      2.144035
  H      -8.543677     -0.402248     -1.050793
  H      -7.289634     -2.498053     -1.605711
  H      -5.325970     -3.174983     -0.232102
  H      -4.593919     -1.786294      1.675125
  H      -5.088459      6.372240      5.355114
  H      -4.104220      7.279747      6.507456
  H      -2.312080      7.532153      4.741091
  H      -3.855494      8.308147      4.348954
  H      -2.689080      6.992623      2.439071
  H      -3.040845      5.528606      3.337940
  H      -7.748291      7.780690      2.828315
  H      -7.719629      4.454862     -0.354096
  H      -5.951127      2.998970     -1.355918
  H      -3.583485      3.223306     -0.613593
  H      -2.974481      4.843211      1.155057
  H      -6.372716      1.315909      7.653676
  H      -6.620308      2.162257      6.121005
  H      -6.382766      3.471544      8.888538
  H      -6.471470      4.371676      7.367618
  H      -8.605737      2.353954      8.270775
  H      -8.678295      4.051741      8.692334
  H      -8.450842      4.947470      3.678323
  H     -12.879685      3.841582      4.147882
  H     -14.262314      2.849849      5.985351
  H     -13.200506      2.243306      8.154377
  H     -10.784150      2.603449      8.510444
  N      -5.613068      3.924759      4.351502
  H      -6.435011      4.151402      4.945927
  H      -5.922694      3.108474      3.765697
  H      -5.501738      4.714643      3.703949
99
Coordinates from ORCA-job orca E -6204.962693085889
  N      -2.612635      2.562119      4.244746
  Mo     -3.809481      3.479844      5.547242
  N      -4.705350      2.368109      6.922590
  C      -3.913313      2.011452      8.097839
  C      -2.444884      1.928386      7.701022
  N      -2.083651      3.105640      6.863960
  C      -0.922481      2.838316      5.974249
  C      -1.369063      2.011801      4.776648
  C      -1.893366      4.340530      7.673253
  C      -2.175199      5.567541      6.815441
  N      -3.406091      5.351264      6.055023
  H      -0.569055      2.040391      4.011164
  H      -1.475148      0.946752      5.066257
  H      -0.557432      3.813495      5.623569
  H      -0.109709      2.345149      6.536914
  H      -2.275887      6.445090      7.482170
  H      -1.312214      5.783345      6.153622
  H      -2.622961      4.303008      8.493811
  H      -0.879035      4.363129      8.110319
  H      -4.227232      1.028895      8.499909
  H      -4.046165      2.738337      8.925524
  H      -2.291461      1.035376      7.079581
  H      -1.782235      1.858209      8.582103
  C      -2.921387      2.114213      2.892251
  C      -3.264074      0.620639      2.771380
  C      -4.633893      0.266382      3.386173
  C      -5.790159      0.569859      2.477958
  N      -6.503519      1.679660      2.714060
  C      -7.553387      1.947054      1.899103
  N      -7.978462      1.229509      0.874812
  C      -7.266208      0.090557      0.599922
  C      -7.660871     -0.724024     -0.485683
  C      -6.957915     -1.881077     -0.785566
  C      -5.845316     -2.261708     -0.009352
  C      -5.437576     -1.482665      1.062270
  C      -6.133773     -0.291996      1.390507
  C      -4.069286      6.586625      5.642112
  C      -3.384361      7.333466      4.483977
  C      -3.416043      6.562438      3.166233
  C      -4.770574      6.478466      2.506411
  N      -5.761621      7.246399      2.980184
  C      -6.984198      7.095945      2.422135
  N      -7.350041      6.241499      1.477952
  C      -6.350185      5.462361      0.953792
  C      -6.660115      4.518466     -0.050900
  C      -5.662897      3.727099     -0.601566
  C      -4.329142      3.858874     -0.170503
  C      -3.997729      4.768046      0.823866
  C      -4.998434      5.576130      1.418368
  C      -6.147175      2.246741      7.109949
  C      -6.776024      3.430680      7.859843
  C      -8.298993      3.351584      7.926361
  C      -9.033160      3.665403      6.645574
  N      -8.354481      4.178028      5.617248
  C      -9.049332      4.487695      4.490518
  N     -10.341014      4.335697      4.272746
  C     -11.064364      3.801848      5.306461
  C     -12.454991      3.602887      5.142465
  C     -13.210201      3.074610      6.175162
  C     -12.603688      2.729952      7.401293
  C     -11.243782      2.911430      7.587337
  C     -10.443473      3.446374      6.546545
  H      -2.055496      2.329036      2.233168
  H      -3.759443      2.709697      2.504416
  H      -2.478243      0.020190      3.256850
  H      -3.250920      0.344108      1.705142
  H      -4.650849     -0.803519      3.646786
  H      -4.760584      0.831799      4.324500
  H      -8.107407      2.863054      2.126306
  H      -8.528205     -0.412095     -1.069398
  H      -7.268482     -2.504044     -1.626272
  H      -5.302628     -3.176536     -0.253721
  H      -4.574495     -1.787823      1.654957
  H      -5.105220      6.358208      5.356567
  H      -4.128411      7.268281      6.513407
  H      -2.336254      7.540779      4.752262
  H      -3.885299      8.304320      4.357330
  H      -2.700488      7.001807      2.448374
  H      -3.045180      5.533735      3.342969
  H      -7.768564      7.747840      2.821950
  H      -7.699495      4.429852     -0.369269
  H      -5.915216      2.991717     -1.367277
  H      -3.552300      3.233826     -0.615069
  H      -2.964001      4.854828      1.159534
  H      -6.373802      1.309503      7.657742
  H      -6.623693      2.151741      6.123073
  H      -6.378640      3.469261      8.885938
  H      -6.471808      4.364403      7.362331
  H      -8.604550      2.348963      8.273616
  H      -8.674186      4.045351      8.699877
  H      -8.459524      4.913619      3.671539
  H     -12.901095      3.878888      4.186021
  H     -14.282969      2.923286      6.043013
  H     -13.212163      2.317119      8.207690
  H     -10.787115      2.642727      8.540289
  N      -5.617469      3.912288      4.346546
  H      -6.441871      4.132033      4.940450
  H      -5.921691      3.097021      3.756394
  H      -5.509397      4.705632      3.702735
99
Coordinates from ORCA-job orca E -6204.962697368064
  N      -2.612799      2.561977      4.243077
  Mo     -3.813077      3.473874      5.546633
  N      -4.705807      2.359449      6.921749
  C      -3.912237      2.003761      8.096341
  C      -2.443752      1.925419      7.699037
  N      -2.086320      3.104740      6.863140
  C      -0.924120      2.842656      5.973145
  C      -1.367559      2.015425      4.774854
  C      -1.900513      4.339263      7.674198
  C      -2.187103      5.566389      6.818239
  N      -3.416820      5.346074      6.057026
  H      -0.567450      2.046952      4.009601
  H      -1.470112      0.949890      5.064030
  H      -0.563342      3.819764      5.623342
  H      -0.109312      2.352325      6.535344
  H      -2.291940      6.442459      7.486262
  H      -1.324771      5.786816      6.157085
  H      -2.630090      4.297371      8.494536
  H      -0.886284      4.364898      8.111253
  H      -4.223340      1.019958      8.497523
  H      -4.046959      2.729591      8.924674
  H      -2.287619      1.033517      7.076697
  H      -1.780738      1.856433      8.579940
  C      -2.919677      2.114746      2.890081
  C      -3.258511      0.620362      2.767673
  C      -4.629421      0.262311      3.377610
  C      -5.783691      0.564130      2.466067
  N      -6.499679      1.672655      2.700380
  C      -7.548130      1.938244      1.882960
  N      -7.969235      1.220191      0.857384
  C      -7.253962      0.082749      0.584056
  C      -7.644123     -0.732162     -0.502913
  C      -6.937919     -1.887546     -0.801596
  C      -5.826405     -2.266102     -0.022839
  C      -5.423178     -1.486778      1.050303
  C      -6.122854     -0.297943      1.377464
  C      -4.084798      6.579435      5.645964
  C      -3.401246      7.332430      4.491008
  C      -3.426291      6.565263      3.170804
  C      -4.778880      6.475150      2.507937
  N      -5.775352      7.236457      2.980959
  C      -6.995935      7.079398      2.420305
  N      -7.354531      6.224748      1.473439
  C      -6.348836      5.452863      0.949633
  C      -6.650634      4.509622     -0.058180
  C      -5.647391      3.725267     -0.607983
  C      -4.315592      3.863505     -0.172969
  C      -3.992089      4.772398      0.824202
  C      -4.998979      5.573506      1.417751
  C      -6.147510      2.239816      7.111888
  C      -6.773573      3.427064      7.858914
  C      -8.296439      3.350664      7.929235
  C      -9.033503      3.665625      6.650410
  N      -8.355058      4.164822      5.615345
  C      -9.052791      4.475247      4.490566
  N     -10.347345      4.336029      4.280908
  C     -11.070734      3.816605      5.321947
  C     -12.464559      3.632733      5.167508
  C     -13.219552      3.119531      6.208017
  C     -12.609675      2.775124      7.432498
  C     -11.246591      2.941953      7.609234
  C     -10.446670      3.461556      6.560474
  H      -2.054230      2.332654      2.231475
  H      -3.759378      2.707967      2.502098
  H      -2.472897      0.021622      3.255578
  H      -3.241346      0.343988      1.701430
  H      -4.644820     -0.807920      3.636894
  H      -4.761427      0.826090      4.316245
  H      -8.104282      2.853212      2.109162
  H      -8.510584     -0.421787     -1.088746
  H      -7.245056     -2.510816     -1.643344
  H      -5.280961     -3.179470     -0.266538
  H      -4.560744     -1.790350      1.644784
  H      -5.119119      6.346966      5.358076
  H      -4.148272      7.258662      6.518841
  H      -2.354782      7.544292      4.762024
  H      -3.907081      8.301015      4.366304
  H      -2.711962      7.011194      2.455741
  H      -3.049630      5.538235      3.344770
  H      -7.785339      7.725095      2.820360
  H      -7.688537      4.415420     -0.379685
  H      -5.893576      2.990457     -1.376228
  H      -3.534036      3.244167     -0.617239
  H      -2.959785      4.864518      1.162799
  H      -6.373999      1.304525      7.663031
  H      -6.625871      2.142253      6.126180
  H      -6.373476      3.469070      8.883810
  H      -6.469497      4.358472      7.357065
  H      -8.603258      2.348449      8.276984
  H      -8.668662      4.044753      8.703824
  H      -8.463061      4.890679      3.666086
  H     -12.913349      3.908127      4.212151
  H     -14.294798      2.979964      6.083230
  H     -13.217970      2.374149      8.244994
  H     -10.787039      2.673535      8.560889
  N      -5.620179      3.901457      4.343130
  H      -6.446193      4.116712      4.936701
  H      -5.920651      3.086980      3.750014
  H      -5.513793      4.697218      3.702061
99
Coordinates from ORCA-job orca E -6204.962700651878
  N      -2.612003      2.562806      4.239818
  Mo     -3.816367      3.468961      5.543798
  N      -4.706343      2.349674      6.917033
  C      -3.911891      1.993828      8.091014
  C      -2.443056      1.921280      7.694095
  N      -2.089301      3.103662      6.860960
  C      -0.925529      2.848022      5.971142
  C      -1.364936      2.020581      4.771591
  C      -1.908781      4.337037      7.675093
  C      -2.199618      5.565036      6.821867
  N      -3.427782      5.341607      6.058932
  H      -0.564600      2.055756      4.006749
  H      -1.463470      0.954374      5.059856
  H      -0.569320      3.827448      5.623094
  H      -0.108665      2.360517      6.532820
  H      -2.308892      6.438953      7.491990
  H      -1.337632      5.790796      6.162138
  H      -2.638949      4.290102      8.494600
  H      -0.894994      4.365353      8.112934
  H      -4.219798      1.008044      8.489848
  H      -4.049475      2.717251      8.920988
  H      -2.283508      1.031230      7.069971
  H      -1.780282      1.852602      8.575207
  C      -2.917106      2.114869      2.886699
  C      -3.251174      0.619390      2.763525
  C      -4.621997      0.257084      3.371187
  C      -5.775478      0.556730      2.457892
  N      -6.491983      1.665324      2.690219
  C      -7.538847      1.930604      1.870827
  N      -7.958208      1.211978      0.844928
  C      -7.242760      0.074080      0.573874
  C      -7.631328     -0.741644     -0.513040
  C      -6.925016     -1.897462     -0.809560
  C      -5.814790     -2.275652     -0.028733
  C      -5.413078     -1.495541      1.044405
  C      -6.113026     -0.306250      1.369503
  C      -4.100402      6.573428      5.650646
  C      -3.417803      7.333239      4.499599
  C      -3.435693      6.569532      3.177401
  C      -4.785905      6.474782      2.510461
  N      -5.786958      7.231077      2.981741
  C      -7.005180      7.069683      2.417175
  N      -7.357137      6.215605      1.467220
  C      -6.346540      5.449135      0.945026
  C      -6.641142      4.506754     -0.065698
  C      -5.632922      3.727103     -0.613061
  C      -4.303276      3.869644     -0.172891
  C      -3.986800      4.778048      0.826883
  C      -4.998844      5.574162      1.418150
  C      -6.148007      2.232070      7.109550
  C      -6.770632      3.422373      7.854699
  C      -8.293431      3.349534      7.929470
  C      -9.033898      3.666600      6.653260
  N      -8.356467      4.155275      5.612587
  C      -9.057401      4.467000      4.490131
  N     -10.354335      4.338604      4.287986
  C     -11.076924      3.830729      5.335271
  C     -12.473360      3.659774      5.189540
  C     -13.227342      3.158464      6.236596
  C     -12.613836      2.813156      7.458950
  C     -11.248157      2.967421      7.627181
  C     -10.449359      3.474999      6.571741
  H      -2.052474      2.336215      2.228237
  H      -3.758942      2.704861      2.498624
  H      -2.464652      0.022534      3.252277
  H      -3.231850      0.343232      1.697263
  H      -4.635052     -0.813269      3.629819
  H      -4.757328      0.819819      4.309990
  H      -8.095391      2.845680      2.096008
  H      -8.496761     -0.431583     -1.100579
  H      -7.231084     -2.521505     -1.651102
  H      -5.269164     -3.189313     -0.270849
  H      -4.551694     -1.798958      1.640495
  H      -5.133142      6.337391      5.359866
  H      -4.168494      7.249408      6.525677
  H      -2.373129      7.549579      4.773875
  H      -3.928469      8.299520      4.376677
  H      -2.721892      7.021290      2.465413
  H      -3.054281      5.544021      3.349654
  H      -7.798791      7.710637      2.816476
  H      -7.677477      4.409010     -0.391145
  H      -5.873524      2.992776     -1.383536
  H      -3.517918      3.254036     -0.615497
  H      -2.956193      4.873160      1.169849
  H      -6.374765      1.298377      7.663224
  H      -6.628092      2.132853      6.124811
  H      -6.367454      3.467089      8.878239
  H      -6.466401      4.351553      7.348844
  H      -8.601912      2.347860      8.277601
  H      -8.661607      4.044115      8.705455
  H      -8.468358      4.872961      3.660473
  H     -12.925012      3.935455      4.235623
  H     -14.304614      3.028979      6.118573
  H     -13.221301      2.421455      8.276563
  H     -10.785635      2.698340      8.577199
  N      -5.622429      3.893023      4.337563
  H      -6.450017      4.105121      4.930108
  H      -5.919482      3.079207      3.741811
  H      -5.516529      4.690665      3.698661
99
Coordinates from ORCA-job orca E -6204.962703344283
  N      -2.611852      2.563348      4.236847
  Mo     -3.818295      3.466077      5.541236
  N      -4.705724      2.342491      6.912889
  C      -3.910532      1.986069      8.086141
  C      -2.441472      1.918047      7.689234
  N      -2.090741      3.102895      6.858424
  C      -0.926127      2.852536      5.968225
  C      -1.362783      2.024997      4.767743
  C      -1.914281      4.335298      7.675128
  C      -2.208358      5.564115      6.824115
  N      -3.435824      5.339074      6.060542
  H      -0.562807      2.063406      4.002699
  H      -1.457597      0.958194      5.055159
  H      -0.573825      3.833856      5.621497
  H      -0.107246      2.367365      6.528987
  H      -2.320088      6.436487      7.495876
  H      -1.346866      5.793529      6.165043
  H      -2.644796      4.284372      8.494036
  H      -0.900777      4.365592      8.113432
  H      -4.215788      0.998585      8.482881
  H      -4.050174      2.707252      8.917713
  H      -2.279469      1.029517      7.063584
  H      -1.778763      1.849337      8.570392
  C      -2.916934      2.113426      2.884256
  C      -3.248644      0.617439      2.762578
  C      -4.619428      0.253455      3.369472
  C      -5.772179      0.551449      2.454701
  N      -6.489540      1.659939      2.685296
  C      -7.534815      1.924726      1.863651
  N      -7.951487      1.206030      0.836754
  C      -7.235635      0.067943      0.567887
  C      -7.621777     -0.748196     -0.519579
  C      -6.915285     -1.904458     -0.813680
  C      -5.807125     -2.282710     -0.029904
  C      -5.407605     -1.502079      1.043653
  C      -6.107846     -0.312260      1.366361
  C      -4.111449      6.569993      5.654714
  C      -3.429448      7.334296      4.506212
  C      -3.442841      6.573005      3.182625
  C      -4.791456      6.475328      2.512898
  N      -5.795408      7.228683      2.982766
  C      -7.012172      7.064177      2.415940
  N      -7.360048      6.209618      1.464823
  C      -6.346301      5.446436      0.943862
  C      -6.636387      4.503889     -0.068003
  C      -5.624884      3.727463     -0.613995
  C      -4.296448      3.873776     -0.171383
  C      -3.984334      4.782505      0.829473
  C      -4.999781      5.575144      1.419425
  C      -6.147453      2.226218      7.106887
  C      -6.767666      3.417992      7.851909
  C      -8.290511      3.348369      7.929006
  C      -9.032559      3.668236      6.654505
  N      -8.355457      4.152703      5.611616
  C      -9.057888      4.467008      4.490767
  N     -10.356089      4.345312      4.292459
  C     -11.078483      3.842470      5.342390
  C     -12.476389      3.679699      5.201113
  C     -13.230068      3.183561      6.250850
  C     -12.614799      2.835274      7.471453
  C     -11.247724      2.981607      7.635358
  C     -10.449245      3.483979      6.577186
  H      -2.052913      2.335577      2.225285
  H      -3.759876      2.701703      2.495806
  H      -2.461612      0.022022      3.252275
  H      -3.228487      0.340140      1.696603
  H      -4.631142     -0.816831      3.628401
  H      -4.756434      0.816165      4.308051
  H      -8.092318      2.839546      2.087618
  H      -8.485675     -0.438197     -1.109408
  H      -7.219572     -2.528920     -1.655560
  H      -5.261323     -3.196782     -0.270074
  H      -4.547868     -1.805617      1.642042
  H      -5.143159      6.331879      5.361962
  H      -4.182662      7.243567      6.531353
  H      -2.385833      7.553216      4.782437
  H      -3.942926      8.299233      4.384617
  H      -2.729818      7.029306      2.472671
  H      -3.058363      5.548479      3.353259
  H      -7.808390      7.702546      2.814163
  H      -7.671875      4.403414     -0.395331
  H      -5.861983      2.992679     -1.385114
  H      -3.508616      3.260592     -0.612936
  H      -2.954661      4.880343      1.174481
  H      -6.374488      1.293112      7.661401
  H      -6.628613      2.126949      6.122672
  H      -6.362645      3.463382      8.874653
  H      -6.462795      4.346104      7.344457
  H      -8.600981      2.347211      8.276965
  H      -8.655620      4.043516      8.705937
  H      -8.469062      4.868910      3.658887
  H     -12.929406      3.957431      4.248440
  H     -14.308460      3.060460      6.136295
  H     -13.221983      2.447561      8.291170
  H     -10.783837      2.710267      8.584062
  N      -5.623766      3.888356      4.334114
  H      -6.451599      4.102293      4.925756
  H      -5.920750      3.073835      3.739396
  H      -5.515752      4.684884      3.694190
99
Coordinates from ORCA-job orca E -6204.962672210973
  N      -2.610085      2.562182      4.230914
  Mo     -3.822424      3.457255      5.534772
  N      -4.705069      2.325848      6.903349
  C      -3.908914      1.969158      8.075750
  C      -2.439088      1.911010      7.679887
  N      -2.094866      3.100765      6.853598
  C      -0.927579      2.862026      5.963687
  C      -1.356740      2.033370      4.761151
  C      -1.929111      4.331648      7.675227
  C      -2.229985      5.561450      6.827938
  N      -3.454587      5.331545      6.061318
  H      -0.556913      2.079243      3.996382
  H      -1.442916      0.965374      5.046913
  H      -0.583816      3.847257      5.619419
  H      -0.104705      2.382685      6.523598
  H      -2.348395      6.430891      7.502412
  H      -1.368753      5.798733      6.171305
  H      -2.661305      4.271955      8.491946
  H      -0.916835      4.367414      8.115880
  H      -4.208677      0.978384      8.468548
  H      -4.053396      2.686279      8.910005
  H      -2.271120      1.025452      7.051639
  H      -1.777023      1.843142      8.561588
  C      -2.914677      2.106967      2.879805
  C      -3.240243      0.609651      2.762869
  C      -4.608039      0.240615      3.373744
  C      -5.764520      0.537694      2.463313
  N      -6.485647      1.642646      2.700162
  C      -7.534009      1.906678      1.881929
  N      -7.949512      1.191191      0.852433
  C      -7.230519      0.056625      0.577817
  C      -7.615863     -0.756437     -0.512242
  C      -6.906609     -1.909560     -0.811743
  C      -5.796233     -2.287676     -0.031017
  C      -5.397170     -1.509856      1.044709
  C      -6.100261     -0.323256      1.372955
  C      -4.136893      6.559758      5.659209
  C      -3.454335      7.335416      4.518491
  C      -3.454925      6.582466      3.190023
  C      -4.798728      6.478750      2.511570
  N      -5.811578      7.220966      2.980199
  C      -7.023658      7.049637      2.405344
  N      -7.358844      6.197827      1.447071
  C      -6.335505      5.446830      0.926851
  C      -6.611304      4.508632     -0.093080
  C      -5.589562      3.745499     -0.638974
  C      -4.264938      3.901394     -0.188272
  C      -3.966656      4.805953      0.820557
  C      -4.992762      5.584679      1.410552
  C      -6.147033      2.211182      7.099212
  C      -6.764002      3.405247      7.843581
  C      -8.286852      3.340477      7.925327
  C      -9.033114      3.665257      6.654549
  N      -8.357905      4.139590      5.605660
  C      -9.064640      4.458884      4.488809
  N     -10.365768      4.352822      4.300623
  C     -11.086576      3.862115      5.357548
  C     -12.487767      3.718319      5.228053
  C     -13.239582      3.234625      6.284927
  C     -12.619202      2.880147      7.501143
  C     -11.248992      3.008271      7.653685
  C     -10.452432      3.497914      6.588121
  H      -2.052436      2.330945      2.219116
  H      -3.760603      2.690863      2.490642
  H      -2.449631      0.018571      3.252066
  H      -3.221630      0.329728      1.697478
  H      -4.615400     -0.830354      3.630215
  H      -4.743959      0.800406      4.314256
  H      -8.094884      2.818139      2.110864
  H      -8.481527     -0.446760     -1.099613
  H      -7.210295     -2.531707     -1.655594
  H      -5.248217     -3.199362     -0.275315
  H      -4.535641     -1.813232      1.640589
  H      -5.165365      6.316228      5.359774
  H      -4.217564      7.227726      6.539326
  H      -2.413714      7.559995      4.801362
  H      -3.973905      8.297443      4.400173
  H      -2.742494      7.050677      2.487139
  H      -3.063405      5.559872      3.354974
  H      -7.827610      7.678840      2.802618
  H      -7.643968      4.401121     -0.427058
  H      -5.815700      3.013640     -1.416113
  H      -3.469111      3.298649     -0.629820
  H      -2.939740      4.911511      1.171387
  H      -6.374241      1.279101      7.655360
  H      -6.629652      2.111530      6.115816
  H      -6.355656      3.452244      8.864889
  H      -6.458604      4.331675      7.333319
  H      -8.600283      2.340113      8.273173
  H      -8.646388      4.036307      8.704253
  H      -8.477193      4.852041      3.651613
  H     -12.944760      4.000359      4.278542
  H     -14.320472      3.126267      6.179439
  H     -13.224883      2.502220      8.326533
  H     -10.781104      2.732471      8.599148
  N      -5.625431      3.872566      4.323050
  H      -6.455610      4.086760      4.911728
  H      -5.918832      3.056701      3.728642
  H      -5.513977      4.667919      3.682411
99
Coordinates from ORCA-job orca E -6204.962700945180
  N      -2.610922      2.564918      4.233075
  Mo     -3.820250      3.464280      5.536870
  N      -4.706569      2.336414      6.905867
  C      -3.911686      1.978355      8.078702
  C      -2.442015      1.914836      7.682978
  N      -2.093570      3.102596      6.855578
  C      -0.927301      2.858124      5.965973
  C      -1.359893      2.030935      4.763713
  C      -1.922608      4.333750      7.675494
  C      -2.218706      5.563680      6.826711
  N      -3.444515      5.337513      6.060869
  H      -0.559678      2.073827      3.999145
  H      -1.450502      0.963267      5.049213
  H      -0.578483      3.841363      5.621178
  H      -0.106938      2.375136      6.526429
  H      -2.333242      6.434463      7.500084
  H      -1.356749      5.796522      6.169422
  H      -2.654639      4.278485      8.492721
  H      -0.910057      4.366190      8.115866
  H      -4.214924      0.989067      8.472532
  H      -4.053610      2.696877      8.912186
  H      -2.277254      1.028197      7.055393
  H      -1.780080      1.845470      8.564656
  C      -2.915103      2.113320      2.880615
  C      -3.243319      0.616719      2.759725
  C      -4.612876      0.249005      3.367453
  C      -5.766921      0.546681      2.454253
  N      -6.488020      1.651901      2.689300
  C      -7.534081      1.916484      1.868481
  N      -7.948107      1.200639      0.838588
  C      -7.228904      0.065714      0.565605
  C      -7.612477     -0.747564     -0.524918
  C      -6.902730     -1.900823     -0.822954
  C      -5.793779     -2.278842     -0.040179
  C      -5.396599     -1.500879      1.036155
  C      -6.100181     -0.314143      1.362920
  C      -4.122048      6.567537      5.656082
  C      -3.439913      7.334841      4.509639
  C      -3.448145      6.573946      3.185770
  C      -4.795638      6.469694      2.514729
  N      -5.804042      7.217442      2.984057
  C      -7.019575      7.045945      2.416646
  N      -7.362435      6.188533      1.466265
  C      -6.344227      5.430659      0.946162
  C      -6.628637      4.485167     -0.064609
  C      -5.612362      3.714733     -0.610241
  C      -4.284645      3.870406     -0.168597
  C      -3.977947      4.781835      0.831457
  C      -4.998366      5.568159      1.421326
  C      -6.148572      2.221619      7.100105
  C      -6.766393      3.413328      7.847292
  C      -8.289276      3.346909      7.927380
  C      -9.034410      3.671708      6.655839
  N      -8.359278      4.154848      5.610983
  C      -9.064766      4.474328      4.493472
  N     -10.364529      4.360642      4.300846
  C     -11.085134      3.860238      5.353246
  C     -12.484745      3.706821      5.218355
  C     -13.236566      3.213051      6.270504
  C     -12.617721      2.858042      7.487384
  C     -11.249028      2.995481      7.645164
  C     -10.452373      3.495192      6.584327
  H      -2.051389      2.336805      2.221664
  H      -3.759058      2.700028      2.491797
  H      -2.454497      0.023333      3.249014
  H      -3.223083      0.339247      1.693760
  H      -4.621848     -0.821928      3.624094
  H      -4.749878      0.809340      4.307458
  H      -8.094752      2.828469      2.095757
  H      -8.477070     -0.437866     -1.113866
  H      -7.204941     -2.523051     -1.667258
  H      -5.245469     -3.190663     -0.283262
  H      -4.536214     -1.804121      1.633751
  H      -5.152641      6.327532      5.360909
  H      -4.196802      7.239525      6.533648
  H      -2.397505      7.556844      4.787998
  H      -3.955982      8.298261      4.387355
  H      -2.736952      7.034550      2.476736
  H      -3.059146      5.551130      3.355996
  H      -7.819341      7.680576      2.813603
  H      -7.663546      4.378203     -0.391798
  H      -5.845007      2.977591     -1.380442
  H      -3.493033      3.261936     -0.609832
  H      -2.948687      4.886959      1.175531
  H      -6.376489      1.288112      7.653588
  H      -6.630336      2.124511      6.116024
  H      -6.359546      3.456959      8.869386
  H      -6.460668      4.341618      7.340600
  H      -8.601609      2.346012      8.274372
  H      -8.650433      4.041725      8.706454
  H      -8.477385      4.874561      3.659778
  H     -12.940493      3.989621      4.268465
  H     -14.316257      3.097183      6.160841
  H     -13.223445      2.472328      8.309123
  H     -10.782463      2.719297      8.591164
  N      -5.623857      3.884756      4.327261
  H      -6.453243      4.098868      4.916803
  H      -5.918853      3.069723      3.732251
  H      -5.513062      4.680656      3.687122
99
Coordinates from ORCA-job orca E -6204.962537125729
  N      -2.623171      2.561894      4.240054
  Mo     -3.824439      3.467200      5.547864
  N      -4.709493      2.345865      6.922920
  C      -3.911923      1.988137      8.094025
  C      -2.444181      1.916692      7.692574
  N      -2.093411      3.100452      6.860476
  C      -0.931892      2.846654      5.967489
  C      -1.374171      2.020485      4.768291
  C      -1.912119      4.332443      7.676061
  C      -2.203764      5.561520      6.824972
  N      -3.432453      5.339268      6.062426
  H      -0.575942      2.057622      4.001322
  H      -1.470777      0.953731      5.055146
  H      -0.576440      3.826392      5.619670
  H      -0.113559      2.358476      6.526426
  H      -2.312109      6.434527      7.496329
  H      -1.342453      5.788218      6.164793
  H      -2.641731      4.284447      8.496023
  H      -0.898020      4.360428      8.113414
  H      -4.218284      1.001435      8.491807
  H      -4.047341      2.709707      8.925938
  H      -2.286313      1.027640      7.066545
  H      -1.778790      1.846631      8.571626
  C      -2.928682      2.115830      2.886040
  C      -3.253347      0.618389      2.757520
  C      -4.625980      0.246760      3.355474
  C      -5.774029      0.533398      2.431530
  N      -6.494901      1.641826      2.648920
  C      -7.535346      1.898072      1.819102
  N      -7.947252      1.168199      0.798107
  C      -7.227553      0.029304      0.542347
  C      -7.608074     -0.797986     -0.538653
  C      -6.897201     -1.954835     -0.819943
  C      -5.790449     -2.322575     -0.029259
  C      -5.396588     -1.531006      1.038434
  C      -6.101166     -0.340090      1.347949
  C      -4.105982      6.572279      5.657893
  C      -3.421260      7.338266      4.512173
  C      -3.435216      6.579776      3.187303
  C      -4.782205      6.497304      2.512299
  N      -5.780893      7.257733      2.981767
  C      -6.996081      7.110151      2.406964
  N      -7.348061      6.264615      1.449584
  C      -6.340107      5.492916      0.930508
  C      -6.635708      4.556141     -0.085104
  C      -5.630039      3.770964     -0.628962
  C      -4.301875      3.902932     -0.181065
  C      -3.984682      4.805117      0.823875
  C      -4.994558      5.605327      1.412951
  C      -6.150562      2.229274      7.119704
  C      -6.769777      3.422898      7.861938
  C      -8.292261      3.352990      7.941145
  C      -9.035177      3.664459      6.665230
  N      -8.357125      4.132727      5.615882
  C      -9.059508      4.435641      4.492009
  N     -10.358262      4.316844      4.296294
  C     -11.081620      3.830287      5.353007
  C     -12.480103      3.670619      5.214769
  C     -13.234608      3.189424      6.270801
  C     -12.619513      2.853432      7.494946
  C     -11.251827      2.997197      7.656078
  C     -10.452604      3.484584      6.591488
  H      -2.065807      2.344181      2.227681
  H      -3.773647      2.702122      2.500872
  H      -2.466255      0.024807      3.249415
  H      -3.225410      0.345061      1.690804
  H      -4.632633     -0.822687      3.617607
  H      -4.772093      0.811905      4.291074
  H      -8.095227      2.814267      2.031889
  H      -8.471088     -0.495880     -1.133876
  H      -7.197094     -2.587889     -1.656920
  H      -5.241519     -3.237422     -0.258957
  H      -4.538355     -1.826702      1.642802
  H      -5.138393      6.337049      5.364479
  H      -4.176027      7.244249      6.535834
  H      -2.377442      7.553833      4.790344
  H      -3.931637      8.304977      4.391537
  H      -2.713917      7.028856      2.481339
  H      -3.062102      5.550938      3.358822
  H      -7.786933      7.755848      2.803826
  H      -7.670737      4.467169     -0.416961
  H      -5.871223      3.040858     -1.403324
  H      -3.518376      3.282956     -0.620684
  H      -2.955664      4.890396      1.174164
  H      -6.376581      1.297695      7.677158
  H      -6.633263      2.127122      6.136449
  H      -6.364229      3.471234      8.884441
  H      -6.465131      4.349583      7.351482
  H      -8.601647      2.353478      8.294812
  H      -8.657020      4.051743      8.714789
  H      -8.469427      4.820182      3.653421
  H     -12.932877      3.938427      4.259128
  H     -14.313499      3.068543      6.158495
  H     -13.227363      2.477346      8.319578
  H     -10.788026      2.735399      8.607491
  N      -5.636898      3.891971      4.350188
  H      -6.459678      4.112839      4.945703
  H      -5.941763      3.074645      3.762712
  H      -5.531102      4.684070      3.704272
99
Coordinates from ORCA-job orca E -6204.962665572637
  N      -2.611998      2.560391      4.242638
  Mo     -3.819368      3.463706      5.545572
  N      -4.702516      2.340752      6.920624
  C      -3.905985      1.988600      8.094036
  C      -2.437085      1.923334      7.696078
  N      -2.090068      3.107171      6.862517
  C      -0.925652      2.857426      5.972026
  C      -1.361211      2.026159      4.773610
  C      -1.916907      4.341878      7.676412
  C      -2.214520      5.568196      6.823021
  N      -3.441829      5.339038      6.060326
  H      -0.561869      2.065628      4.007921
  H      -1.452907      0.959550      5.062664
  H      -0.575620      3.838619      5.622705
  H      -0.105241      2.375366      6.533233
  H      -2.327554      6.441829      7.492917
  H      -1.353778      5.798078      6.163113
  H      -2.647132      4.290688      8.495538
  H      -0.903445      4.376097      8.114590
  H      -4.208470      1.001141      8.492977
  H      -4.046674      2.711066      8.924318
  H      -2.273550      1.033839      7.072207
  H      -1.773479      1.858034      8.576812
  C      -2.915511      2.110509      2.889526
  C      -3.251097      0.615665      2.767095
  C      -4.625255      0.257271      3.369716
  C      -5.773377      0.563819      2.452147
  N      -6.483625      1.676999      2.682065
  C      -7.523496      1.950901      1.856637
  N      -7.941650      1.236839      0.827106
  C      -7.233209      0.093899      0.559077
  C      -7.621443     -0.717777     -0.530981
  C      -6.922329     -1.878732     -0.824320
  C      -5.819764     -2.266199     -0.037160
  C      -5.418310     -1.490049      1.038918
  C      -6.110994     -0.295601      1.360932
  C      -4.118213      6.567901      5.649490
  C      -3.434620      7.329770      4.500205
  C      -3.445243      6.565076      3.178512
  C      -4.792161      6.467989      2.505173
  N      -5.796103      7.224673      2.969707
  C      -7.011284      7.061212      2.399212
  N      -7.358221      6.203808      1.450367
  C      -6.344588      5.436533      0.935326
  C      -6.633785      4.489837     -0.072947
  C      -5.622185      3.709730     -0.613352
  C      -4.294337      3.856925     -0.169204
  C      -3.983099      4.769325      0.828544
  C      -4.998922      5.565137      1.413580
  C      -6.143900      2.222482      7.115798
  C      -6.765197      3.415646      7.857389
  C      -8.287969      3.346023      7.933883
  C      -9.029115      3.660333      6.657468
  N      -8.350786      4.138015      5.612236
  C      -9.052244      4.446789      4.489231
  N     -10.350617      4.326607      4.291268
  C     -11.074255      3.830912      5.343743
  C     -12.472449      3.670140      5.202947
  C     -13.227316      3.180545      6.254825
  C     -12.612987      2.837111      7.477319
  C     -11.245743      2.981841      7.640929
  C     -10.446012      3.477549      6.580521
  H      -2.049515      2.330387      2.232370
  H      -3.755941      2.701157      2.499458
  H      -2.467521      0.017579      3.259082
  H      -3.228629      0.338580      1.701118
  H      -4.643126     -0.813493      3.626529
  H      -4.761346      0.819110      4.308921
  H      -8.074819      2.869738      2.079456
  H      -8.480965     -0.400604     -1.123384
  H      -7.228075     -2.499663     -1.668277
  H      -5.279912     -3.184006     -0.276538
  H      -4.563087     -1.800685      1.640116
  H      -5.149154      6.327923      5.355407
  H      -4.192033      7.243824      6.524103
  H      -2.391544      7.549638      4.777795
  H      -3.947709      8.294403      4.374851
  H      -2.729489      7.018370      2.469431
  H      -3.063146      5.540241      3.352768
  H      -7.807026      7.703469      2.791936
  H      -7.668662      4.389726     -0.402358
  H      -5.858538      2.971835     -1.381722
  H      -3.506261      3.241010     -0.606423
  H      -2.953930      4.867421      1.175029
  H      -6.369301      1.290718      7.673228
  H      -6.625355      2.119724      6.132117
  H      -6.360934      3.463909      8.880326
  H      -6.460245      4.342622      7.347823
  H      -8.598732      2.346604      8.286409
  H      -8.653245      4.044998      8.707293
  H      -8.462313      4.842134      3.655111
  H     -12.924625      3.943968      4.248735
  H     -14.305898      3.058896      6.140581
  H     -13.221093      2.454518      8.298745
  H     -10.782726      2.714509      8.591190
  N      -5.628153      3.876923      4.340426
  H      -6.454971      4.094991      4.931784
  H      -5.925750      3.057445      3.752919
  H      -5.521005      4.668256      3.693986
99
Coordinates from ORCA-job orca E -6204.962421182421
  N      -2.600083      2.572631      4.218240
  Mo     -3.815627      3.465083      5.520321
  N      -4.711431      2.326988      6.874797
  C      -3.922476      1.956006      8.047740
  C      -2.450247      1.896726      7.659902
  N      -2.097404      3.092762      6.846414
  C      -0.925416      2.859800      5.961185
  C      -1.348996      2.040360      4.750387
  C      -1.933893      4.316577      7.679057
  C      -2.224672      5.553721      6.838858
  N      -3.445794      5.334039      6.064143
  H      -0.545670      2.091043      3.989603
  H      -1.436884      0.970490      5.028373
  H      -0.578937      3.847248      5.626066
  H      -0.105969      2.375501      6.521871
  H      -2.343323      6.418948      7.518774
  H      -1.358596      5.792017      6.188849
  H      -2.671926      4.252577      8.490144
  H      -0.924569      4.345906      8.126853
  H      -4.227795      0.962656      8.429563
  H      -4.068910      2.665688      8.888022
  H      -2.281397      1.016300      7.024784
  H      -1.793663      1.818748      8.544853
  C      -2.904627      2.115211      2.867882
  C      -3.220469      0.615709      2.754508
  C      -4.580714      0.233445      3.374973
  C      -5.747160      0.517052      2.472801
  N      -6.487857      1.606892      2.720773
  C      -7.546025      1.855638      1.910060
  N      -7.953484      1.138856      0.878331
  C      -7.215758      0.019035      0.593757
  C      -7.592280     -0.795190     -0.498519
  C      -6.863624     -1.933495     -0.808236
  C      -5.742002     -2.295086     -0.035902
  C      -5.351186     -1.515667      1.041679
  C      -6.074307     -0.344328      1.380444
  C      -4.121587      6.566657      5.666438
  C      -3.440116      7.335586      4.521002
  C      -3.455997      6.578531      3.194648
  C      -4.806652      6.478042      2.529058
  N      -5.811187      7.228320      3.002596
  C      -7.029164      7.061480      2.438758
  N      -7.377512      6.206936      1.487711
  C      -6.363187      5.446544      0.963240
  C      -6.652726      4.506618     -0.051377
  C      -5.640188      3.735293     -0.602765
  C      -4.311210      3.884016     -0.162670
  C      -3.999033      4.790885      0.839949
  C      -5.015516      5.578707      1.434913
  C      -6.155155      2.216640      7.063389
  C      -6.770259      3.402637      7.822557
  C      -8.293358      3.339482      7.907080
  C      -9.043816      3.680478      6.642797
  N      -8.371963      4.165747      5.596555
  C      -9.082048      4.498805      4.485941
  N     -10.384474      4.400044      4.302630
  C     -11.102423      3.900534      5.357647
  C     -12.504991      3.765071      5.233757
  C     -13.253798      3.272179      6.288589
  C     -12.628990      2.900149      7.497286
  C     -11.257443      3.020177      7.644432
  C     -10.463923      3.518931      6.580798
  H      -2.044658      2.342834      2.205404
  H      -3.754631      2.694672      2.479735
  H      -2.421775      0.032063      3.239476
  H      -3.205810      0.334571      1.689269
  H      -4.574137     -0.837747      3.630995
  H      -4.716205      0.790943      4.316985
  H      -8.120744      2.756452      2.145111
  H      -8.466692     -0.498311     -1.079442
  H      -7.160372     -2.556484     -1.654007
  H      -5.178460     -3.195090     -0.288311
  H      -4.480373     -1.805715      1.630711
  H      -5.152371      6.329096      5.370715
  H      -4.195176      7.235140      6.546826
  H      -2.396001      7.553122      4.796427
  H      -3.953532      8.300950      4.403649
  H      -2.747969      7.041457      2.483821
  H      -3.068130      5.554546      3.358764
  H      -7.825358      7.699701      2.837395
  H      -7.688614      4.404622     -0.377061
  H      -5.877195      3.001759     -1.375005
  H      -3.522917      3.274226     -0.607913
  H      -2.968390      4.892591      1.180702
  H      -6.387549      1.278455      7.607040
  H      -6.635132      2.131471      6.077507
  H      -6.360516      3.436167      8.843837
  H      -6.463805      4.335103      7.324091
  H      -8.607823      2.335967      8.244767
  H      -8.649116      4.027124      8.695159
  H      -8.496350      4.899812      3.650815
  H     -12.965368      4.060627      4.289996
  H     -14.335705      3.170223      6.187327
  H     -13.232295      2.515185      8.321190
  H     -10.786205      2.731253      8.584337
  N      -5.603169      3.902729      4.295064
  H      -6.443494      4.098564      4.876544
  H      -5.883258      3.101730      3.674360
  H      -5.483857      4.714027      3.676530
99
Coordinates from ORCA-job orca E -6204.962680645695
  N      -2.611429      2.563077      4.233097
  Mo     -3.823078      3.459046      5.537242
  N      -4.706437      2.329816      6.906777
  C      -3.910251      1.972296      8.078894
  C      -2.440536      1.912455      7.682526
  N      -2.095192      3.101527      6.855637
  C      -0.928380      2.860003      5.966099
  C      -1.359093      2.032105      4.763747
  C      -1.927605      4.332904      7.675639
  C      -2.226151      5.562386      6.827103
  N      -3.450569      5.333101      6.059864
  H      -0.558927      2.077610      3.999253
  H      -1.446922      0.964057      5.048590
  H      -0.581286      3.843870      5.621428
  H      -0.107189      2.378481      6.526625
  H      -2.343559      6.432542      7.500738
  H      -1.364226      5.797834      6.170697
  H      -2.660119      4.275758      8.492339
  H      -0.915522      4.367980      8.117006
  H      -4.211451      0.982162      8.472104
  H      -4.053048      2.689922      8.913016
  H      -2.274016      1.026577      7.054311
  H      -1.778018      1.844153      8.563870
  C      -2.913183      2.112085      2.879919
  C      -3.234514      0.614010      2.756472
  C      -4.602792      0.239828      3.362865
  C      -5.757898      0.534059      2.450089
  N      -6.480483      1.638185      2.684664
  C      -7.527961      1.899862      1.864971
  N      -7.943193      1.181170      0.837508
  C      -7.222091      0.047321      0.564659
  C      -7.606512     -0.768516     -0.523640
  C      -6.894641     -1.920477     -0.821801
  C      -5.782828     -2.294604     -0.041262
  C      -5.384945     -1.514199      1.033075
  C      -6.090552     -0.328646      1.359863
  C      -4.133020      6.561337      5.657206
  C      -3.454640      7.334671      4.512617
  C      -3.460111      6.577649      3.186587
  C      -4.807673      6.470548      2.516036
  N      -5.819941      7.209034      2.991521
  C      -7.034995      7.034662      2.423908
  N      -7.373908      6.181727      1.468242
  C      -6.352066      5.432932      0.942393
  C      -6.632313      4.491647     -0.073446
  C      -5.612391      3.730165     -0.624683
  C      -4.285076      3.890594     -0.183585
  C      -3.982421      4.797852      0.821390
  C      -5.006544      5.574887      1.417087
  C      -6.148076      2.214472      7.102420
  C      -6.764190      3.403889      7.854523
  C      -8.287199      3.340892      7.932257
  C      -9.029278      3.679949      6.662670
  N      -8.350605      4.169035      5.622988
  C      -9.053306      4.502366      4.507841
  N     -10.353302      4.396861      4.312632
  C     -11.077523      3.890548      5.359574
  C     -12.477664      3.745345      5.221754
  C     -13.233152      3.245887      6.268576
  C     -12.617497      2.876909      7.482934
  C     -11.248316      3.006210      7.643499
  C     -10.448044      3.511538      6.588093
  H      -2.050367      2.340581      2.221484
  H      -3.759571      2.695406      2.492095
  H      -2.443420      0.023471      3.245536
  H      -3.211916      0.338458      1.690103
  H      -4.607747     -0.831375      3.618263
  H      -4.741886      0.798757      4.303329
  H      -8.089735      2.811386      2.091709
  H      -8.473336     -0.461717     -1.110833
  H      -7.197472     -2.544658     -1.664419
  H      -5.232953     -3.205468     -0.284329
  H      -4.522500     -1.814511      1.629154
  H      -5.162925      6.317837      5.362130
  H      -4.210121      7.231137      6.536211
  H      -2.413186      7.560718      4.791290
  H      -3.974940      8.296135      4.392790
  H      -2.750193      7.041901      2.478787
  H      -3.067600      5.555557      3.354145
  H      -7.837835      7.662141      2.825998
  H      -7.666984      4.380483     -0.399924
  H      -5.841734      2.996190     -1.398918
  H      -3.490439      3.289102     -0.628903
  H      -2.953409      4.906471      1.165098
  H      -6.375916      1.279303      7.653141
  H      -6.630893      2.120875      6.118510
  H      -6.358900      3.440798      8.877566
  H      -6.455326      4.334303      7.353553
  H      -8.602681      2.337554      8.269391
  H      -8.647646      4.029046      8.717453
  H      -8.463000      4.907211      3.678656
  H     -12.930871      4.038976      4.273932
  H     -14.313283      3.136375      6.156653
  H     -13.226106      2.486755      8.300441
  H     -10.784128      2.719076      8.587407
  N      -5.630015      3.873116      4.329301
  H      -6.459880      4.082434      4.919630
  H      -5.921945      3.057137      3.734387
  H      -5.524336      4.669907      3.689290
99
Coordinates from ORCA-job orca E -6204.962574839170
  N      -2.616894      2.564231      4.240541
  Mo     -3.815524      3.478052      5.543879
  N      -4.706896      2.359941      6.917805
  C      -3.914145      2.004168      8.092487
  C      -2.445634      1.927195      7.695101
  N      -2.089215      3.107401      6.860642
  C      -0.927214      2.848984      5.969321
  C      -1.368964      2.021787      4.770092
  C      -1.906106      4.340558      7.674838
  C      -2.194858      5.569132      6.822005
  N      -3.425140      5.350572      6.061104
  H      -0.569915      2.056632      4.003867
  H      -1.467341      0.955523      5.058286
  H      -0.570463      3.827950      5.620482
  H      -0.109798      2.360891      6.529709
  H      -2.299602      6.443717      7.492085
  H      -1.332949      5.791791      6.161097
  H      -2.636022      4.294655      8.494493
  H      -0.892041      4.366818      8.112034
  H      -4.223551      1.019161      8.492277
  H      -4.050525      2.728504      8.921848
  H      -2.288846      1.035891      7.072125
  H      -1.782856      1.857531      8.576091
  C      -2.925856      2.114492      2.888349
  C      -3.267271      0.620974      2.767833
  C      -4.640157      0.265377      3.375273
  C      -5.790397      0.572290      2.460338
  N      -6.504534      1.682117      2.695372
  C      -7.547475      1.954719      1.873074
  N      -7.963237      1.243935      0.840342
  C      -7.250858      0.104751      0.567112
  C      -7.636816     -0.703796     -0.526067
  C      -6.934597     -1.861702     -0.823808
  C      -5.830956     -2.249201     -0.038119
  C      -5.431449     -1.475959      1.040713
  C      -6.127347     -0.284639      1.367213
  C      -4.086097      6.585761      5.645234
  C      -3.389905      7.335038      4.495098
  C      -3.406649      6.565942      3.175938
  C      -4.753179      6.480288      2.500487
  N      -5.747984      7.254583      2.955757
  C      -6.964528      7.099865      2.385986
  N      -7.321391      6.236036      1.446473
  C      -6.316753      5.450840      0.940535
  C      -6.616852      4.496471     -0.057214
  C      -5.614460      3.698084     -0.588193
  C      -4.285180      3.834180     -0.144650
  C      -3.963510      4.753558      0.843485
  C      -4.969881      5.568595      1.418271
  C      -6.149375      2.242697      7.107472
  C      -6.776099      3.440206      7.837436
  C      -8.298556      3.361629      7.919341
  C      -9.049392      3.647259      6.641584
  N      -8.383380      4.119939      5.585991
  C      -9.095706      4.405611      4.463391
  N     -10.393594      4.265979      4.274942
  C     -11.104244      3.773369      5.337640
  C     -12.500910      3.591702      5.206845
  C     -13.243084      3.105226      6.269069
  C     -12.617211      2.785825      7.492248
  C     -11.251240      2.951186      7.646133
  C     -10.464099      3.443999      6.574940
  H      -2.059940      2.329580      2.229514
  H      -3.764393      2.709120      2.498949
  H      -2.483537      0.020915      3.257089
  H      -3.249622      0.343102      1.701918
  H      -4.658191     -0.805321      3.632733
  H      -4.773041      0.827758      4.314681
  H      -8.103256      2.869581      2.101432
  H      -8.497339     -0.386900     -1.117164
  H      -7.238682     -2.480302     -1.670087
  H      -5.288567     -3.164598     -0.281026
  H      -4.575168     -1.786380      1.640557
  H      -5.118841      6.357020      5.348992
  H      -4.154339      7.265256      6.517532
  H      -2.344732      7.542255      4.774580
  H      -3.890131      8.305823      4.365341
  H      -2.685619      7.009957      2.466211
  H      -3.035215      5.537985      3.353975
  H      -7.753329      7.754243      2.772756
  H      -7.652910      4.405242     -0.385755
  H      -5.859330      2.954473     -1.348288
  H      -3.504233      3.204384     -0.574930
  H      -2.933368      4.843183      1.189504
  H      -6.375892      1.314368      7.670185
  H      -6.626757      2.132428      6.122681
  H      -6.369812      3.502405      8.858756
  H      -6.478039      4.363104      7.316763
  H      -8.600931      2.367051      8.291889
  H      -8.665305      4.072686      8.681050
  H      -8.516593      4.799822      3.621071
  H     -12.962040      3.847264      4.251863
  H     -14.320503      2.967401      6.162623
  H     -13.215357      2.405494      8.321971
  H     -10.779530      2.702480      8.597167
  N      -5.621312      3.908183      4.342570
  H      -6.442379      4.144884      4.935091
  H      -5.932873      3.087922      3.763837
  H      -5.503233      4.692036      3.689015
99
Coordinates from ORCA-job orca E -6204.962698382522
  N      -2.610398      2.563599      4.235328
  Mo     -3.819123      3.463410      5.539345
  N      -4.704650      2.335576      6.908926
  C      -3.909430      1.977355      8.081405
  C      -2.439904      1.913899      7.684968
  N      -2.091818      3.101656      6.857469
  C      -0.925966      2.857035      5.967532
  C      -1.359097      2.029796      4.765551
  C      -1.920744      4.332728      7.677231
  C      -2.216721      5.562658      6.828595
  N      -3.442585      5.336646      6.062726
  H      -0.559157      2.073078      4.000698
  H      -1.449374      0.962048      5.050823
  H      -0.576856      3.840077      5.622478
  H      -0.105572      2.373820      6.527776
  H      -2.331101      6.433353      7.502091
  H      -1.354763      5.795557      6.171330
  H      -2.652884      4.277498      8.494376
  H      -0.908288      4.365314      8.117866
  H      -4.212519      0.987985      8.475118
  H      -4.050962      2.695680      8.915137
  H      -2.275548      1.027300      7.057198
  H      -1.777484      1.844430      8.566285
  C      -2.914546      2.112188      2.882842
  C      -3.241322      0.615240      2.761550
  C      -4.610871      0.246474      3.368723
  C      -5.764865      0.542687      2.455060
  N      -6.485976      1.648130      2.688694
  C      -7.531868      1.911698      1.867519
  N      -7.946592      1.194027      0.839122
  C      -7.227421      0.058649      0.567623
  C      -7.611594     -0.756453     -0.521317
  C      -6.901756     -1.910037     -0.818019
  C      -5.792180     -2.286521     -0.035428
  C      -5.394448     -1.506769      1.039436
  C      -6.098052     -0.319642      1.364793
  C      -4.119436      6.567133      5.657797
  C      -3.437292      7.333396      4.510762
  C      -3.450705      6.573439      3.186447
  C      -4.799355      6.478604      2.516320
  N      -5.801848      7.234183      2.985606
  C      -7.018464      7.073027      2.417481
  N      -7.367982      6.218757      1.466764
  C      -6.355910      5.452536      0.947081
  C      -6.647729      4.509177     -0.063581
  C      -5.637601      3.730575     -0.608904
  C      -4.308667      3.876023     -0.167452
  C      -3.994812      4.785169      0.832395
  C      -5.009073      5.579178      1.422527
  C      -6.146468      2.220033      7.103315
  C      -6.764875      3.412548      7.848411
  C      -8.287694      3.346467      7.926148
  C      -9.029152      3.666032      6.651388
  N      -8.349447      4.137596      5.604330
  C      -9.050839      4.449685      4.482229
  N     -10.350453      4.338555      4.286965
  C     -11.075631      3.849646      5.341608
  C     -12.475294      3.699095      5.203994
  C     -13.231514      3.216140      6.258000
  C     -12.617100      2.869208      7.479448
  C     -11.248452      3.004002      7.639971
  C     -10.447434      3.493029      6.577441
  H      -2.051245      2.336828      2.223743
  H      -3.759148      2.698062      2.494656
  H      -2.452153      0.022514      3.251104
  H      -3.220107      0.338089      1.695551
  H      -4.619014     -0.824331      3.625752
  H      -4.748473      0.807213      4.308355
  H      -8.092025      2.824437      2.093279
  H      -8.476683     -0.447862     -1.110127
  H      -7.204449     -2.533694     -1.661077
  H      -5.243855     -3.198615     -0.277397
  H      -4.533667     -1.808835      1.637052
  H      -5.150615      6.328196      5.363692
  H      -4.192580      7.239462      6.535244
  H      -2.393702      7.551920      4.787442
  H      -3.950415      8.298571      4.389855
  H      -2.736673      7.029321      2.477277
  H      -3.068350      5.547952      3.356139
  H      -7.812850      7.714864      2.813675
  H      -7.683378      4.410347     -0.390867
  H      -5.875982      2.995115     -1.378982
  H      -3.521763      3.261319     -0.608433
  H      -2.964787      4.881980      1.176624
  H      -6.374053      1.287211      7.658054
  H      -6.628046      2.121219      6.119275
  H      -6.359666      3.457485      8.871139
  H      -6.458221      4.340127      7.340935
  H      -8.600857      2.346869      8.276185
  H      -8.650442      4.044304      8.701745
  H      -8.459553      4.838722      3.646118
  H     -12.927485      3.975292      4.250470
  H     -14.311222      3.102418      6.146209
  H     -13.226238      2.491781      8.302513
  H     -10.785319      2.734011      8.589425
  N      -5.624126      3.883224      4.330778
  H      -6.453467      4.097080      4.920137
  H      -5.918441      3.067507      3.736293
  H      -5.514329      4.678711      3.689943
99
Coordinates from ORCA-job orca E -6204.962621301680
  N      -2.611473      2.558099      4.240059
  Mo     -3.820675      3.465953      5.537801
  N      -4.712755      2.345802      6.909297
  C      -3.920751      1.988574      8.084293
  C      -2.450588      1.919789      7.691506
  N      -2.097509      3.103955      6.861060
  C      -0.930238      2.852343      5.975026
  C      -1.363071      2.022105      4.774933
  C      -1.925157      4.337777      7.676391
  C      -2.215340      5.565365      6.822094
  N      -3.439814      5.340308      6.053691
  H      -0.561152      2.060890      4.011893
  H      -1.457237      0.955527      5.063124
  H      -0.576567      3.832739      5.627163
  H      -0.113042      2.368347      6.539255
  H      -2.328478      6.439176      7.491780
  H      -1.350825      5.792759      6.166178
  H      -2.659291      4.288170      8.492138
  H      -0.913700      4.369448      8.119429
  H      -4.227754      1.001447      8.480543
  H      -4.061549      2.709975      8.915496
  H      -2.287354      1.030837      7.066792
  H      -1.790258      1.851379      8.574462
  C      -2.912507      2.105831      2.887121
  C      -3.249363      0.611132      2.768111
  C      -4.624298      0.254707      3.370284
  C      -5.771737      0.555642      2.449938
  N      -6.488464      1.665477      2.676696
  C      -7.528990      1.931363      1.849236
  N      -7.941296      1.213067      0.820334
  C      -7.225966      0.073757      0.555527
  C      -7.607729     -0.742191     -0.533635
  C      -6.901647     -1.899882     -0.823392
  C      -5.798545     -2.279714     -0.033338
  C      -5.403365     -1.499171      1.041870
  C      -6.103091     -0.307865      1.360085
  C      -4.110680      6.571039      5.639916
  C      -3.421548      7.330469      4.492356
  C      -3.431274      6.566553      3.170054
  C      -4.778026      6.469366      2.496169
  N      -5.783892      7.221037      2.964637
  C      -6.998951      7.056683      2.394141
  N      -7.344016      6.202465      1.441841
  C      -6.328488      5.440413      0.922687
  C      -6.615484      4.497999     -0.090207
  C      -5.601853      3.724264     -0.636003
  C      -4.274172      3.873032     -0.191931
  C      -3.965015      4.781051      0.810563
  C      -4.982844      5.570776      1.400541
  C      -6.155033      2.230693      7.101300
  C      -6.773466      3.415890      7.858489
  C      -8.296117      3.344841      7.942975
  C      -9.047426      3.678457      6.677226
  N      -8.380655      4.189718      5.640458
  C      -9.091994      4.519715      4.529822
  N     -10.390162      4.391457      4.336430
  C     -11.102192      3.861767      5.380206
  C     -12.499509      3.690536      5.243519
  C     -13.243154      3.167404      6.287194
  C     -12.618126      2.800301      7.497389
  C     -11.251492      2.954812      7.656752
  C     -10.462956      3.484239      6.604252
  H      -2.044433      2.322618      2.231583
  H      -3.751047      2.697258      2.493894
  H      -2.466551      0.014339      3.262879
  H      -3.225508      0.331101      1.702914
  H      -4.641344     -0.815128      3.631317
  H      -4.761853      0.820228      4.307041
  H      -8.085895      2.847421      2.068701
  H      -8.467902     -0.430918     -1.128187
  H      -7.202273     -2.524045     -1.666837
  H      -5.253232     -3.195082     -0.269773
  H      -4.547535     -1.803729      1.645298
  H      -5.141417      6.334010      5.342766
  H      -4.185463      7.247669      6.513900
  H      -2.378466      7.547207      4.772433
  H      -3.931098      8.296775      4.365645
  H      -2.715135      7.020439      2.461780
  H      -3.049018      5.541580      3.343368
  H      -7.796162      7.695216      2.790009
  H      -7.650444      4.396423     -0.419033
  H      -5.836523      2.989553     -1.407908
  H      -3.484382      3.261892     -0.632787
  H      -2.935701      4.881163      1.155922
  H      -6.383192      1.293363      7.648251
  H      -6.636540      2.140349      6.116523
  H      -6.364897      3.451097      8.880276
  H      -6.470317      4.349387      7.359841
  H      -8.603939      2.340413      8.283394
  H      -8.656317      4.032324      8.729067
  H      -8.511376      4.944265      3.703503
  H     -12.959993      3.983490      4.299000
  H     -14.321128      3.037708      6.176164
  H     -13.217500      2.391536      8.312620
  H     -10.780319      2.668978      8.597596
  N      -5.623058      3.883801      4.325407
  H      -6.453137      4.101003      4.912771
  H      -5.918016      3.065093      3.735569
  H      -5.511828      4.675523      3.680198
99
Coordinates from ORCA-job orca E -6204.962699462107
  N      -2.614912      2.567897      4.231307
  Mo     -3.825007      3.462802      5.537490
  N      -4.706987      2.332100      6.906773
  C      -3.909868      1.973948      8.078018
  C      -2.440546      1.914487      7.680211
  N      -2.096077      3.104270      6.854015
  C      -0.930135      2.864161      5.962872
  C      -1.361596      2.037234      4.759967
  C      -1.928204      4.334729      7.675488
  C      -2.228092      5.565070      6.828795
  N      -3.453275      5.336411      6.062597
  H      -0.562296      2.083951      3.994645
  H      -1.448390      0.968838      5.043872
  H      -0.584292      3.848729      5.618878
  H      -0.107884      2.382697      6.521907
  H      -2.345064      6.434470      7.503513
  H      -1.366869      5.801446      6.171790
  H      -2.659915      4.276010      8.492758
  H      -0.915694      4.369609      8.115804
  H      -4.210478      0.983405      8.470677
  H      -4.052207      2.690913      8.912793
  H      -2.274526      1.029141      7.051139
  H      -1.777222      1.845502      8.560883
  C      -2.918249      2.118145      2.878092
  C      -3.240230      0.620335      2.753970
  C      -4.608105      0.245705      3.361024
  C      -5.763872      0.542255      2.449719
  N      -6.487077      1.645311      2.688021
  C      -7.535206      1.908946      1.869712
  N      -7.949843      1.193765      0.839570
  C      -7.228270      0.061107      0.563033
  C      -7.612294     -0.751244     -0.527992
  C      -6.900120     -1.902065     -0.829814
  C      -5.788274     -2.278429     -0.050409
  C      -5.390692     -1.501393      1.026482
  C      -6.096722     -0.317202      1.357117
  C      -4.132901      6.565085      5.657118
  C      -3.450426      7.334735      4.512519
  C      -3.452037      6.573903      3.188516
  C      -4.796991      6.464883      2.513070
  N      -5.809984      7.208201      2.979362
  C      -7.022730      7.032618      2.407180
  N      -7.358744      6.174809      1.454774
  C      -6.335802      5.421181      0.937923
  C      -6.612782      4.475414     -0.074672
  C      -5.591645      3.709015     -0.616812
  C      -4.266293      3.868851     -0.169631
  C      -3.966820      4.780808      0.832101
  C      -4.992324      5.563241      1.418374
  C      -6.148580      2.216097      7.103061
  C      -6.765787      3.407322      7.851320
  C      -8.288583      3.341853      7.931839
  C      -9.033936      3.671586      6.661648
  N      -8.358249      4.152431      5.616087
  C      -9.064318      4.477322      4.500479
  N     -10.365042      4.370899      4.310246
  C     -11.086204      3.872881      5.363329
  C     -12.486917      3.727390      5.231186
  C     -13.239247      3.236399      6.284277
  C     -12.619826      2.876343      7.499386
  C     -11.250056      3.006085      7.654477
  C     -10.452967      3.502880      6.592636
  H      -2.056029      2.346791      2.218963
  H      -3.764964      2.702099      2.491322
  H      -2.448907      0.029242      3.241983
  H      -3.218669      0.345392      1.687389
  H      -4.613180     -0.826027      3.614325
  H      -4.746606      0.802721      4.302771
  H      -8.097108      2.819621      2.099405
  H      -8.479123     -0.442790     -1.114306
  H      -7.202701     -2.523604     -1.674481
  H      -5.238058     -3.188289     -0.296483
  H      -4.528093     -1.803347      1.621541
  H      -5.162373      6.322612      5.359976
  H      -4.210849      7.236446      6.534870
  H      -2.409614      7.560402      4.793868
  H      -3.969408      8.296393      4.388639
  H      -2.739701      7.036234      2.481825
  H      -3.060183      5.552308      3.360070
  H      -7.826327      7.663933      2.801730
  H      -7.645955      4.364832     -0.406081
  H      -5.818624      2.971624     -1.388470
  H      -3.470674      3.263570     -0.608047
  H      -2.939289      4.889338      1.180278
  H      -6.375335      1.282283      7.656532
  H      -6.631559      2.119117      6.119618
  H      -6.358770      3.449546      8.873443
  H      -6.459650      4.336045      7.345669
  H      -8.601689      2.340008      8.275621
  H      -8.648943      4.034147      8.713485
  H      -8.476553      4.876467      3.666579
  H     -12.943075      4.014027      4.282644
  H     -14.319798      3.126680      6.176740
  H     -13.225957      2.492801      8.321841
  H     -10.782935      2.725961      8.599049
  N      -5.632259      3.879505      4.331415
  H      -6.460473      4.093049      4.922678
  H      -5.927451      3.063071      3.738318
  H      -5.524476      4.674724      3.689893
99
Coordinates from ORCA-job orca E -6204.962675933760
  N      -2.602452      2.553452      4.242741
  Mo     -3.811341      3.461384      5.540920
  N      -4.703842      2.340014      6.911328
  C      -3.912975      1.983381      8.087176
  C      -2.442536      1.913950      7.694850
  N      -2.088312      3.097725      6.864350
  C      -0.921179      2.846119      5.978113
  C      -1.354308      2.016858      4.777579
  C      -1.914812      4.330818      7.680395
  C      -2.204747      5.559094      6.827299
  N      -3.429935      5.334862      6.059937
  H      -0.552372      2.055318      4.014553
  H      -1.448939      0.950229      5.065543
  H      -0.567442      3.826726      5.630889
  H      -0.103995      2.361576      6.541888
  H      -2.317519      6.432102      7.498068
  H      -1.340767      5.787292      6.171039
  H      -2.648927      4.280768      8.496095
  H      -0.903256      4.361457      8.123260
  H      -4.220086      0.996207      8.483280
  H      -4.054581      2.704809      8.918194
  H      -2.279492      1.024747      7.070433
  H      -1.782649      1.845168      8.578115
  C      -2.904265      2.099653      2.890484
  C      -3.235670      0.603575      2.771470
  C      -4.609128      0.241388      3.373745
  C      -5.757886      0.540578      2.454546
  N      -6.474877      1.649822      2.682636
  C      -7.515447      1.916910      1.855883
  N      -7.929197      1.198757      0.827422
  C      -7.214253      0.059348      0.561605
  C      -7.597555     -0.756378     -0.527176
  C      -6.891821     -1.913917     -0.818279
  C      -5.787408     -2.293830     -0.030074
  C      -5.390628     -1.513537      1.044755
  C      -6.090076     -0.322407      1.364461
  C      -4.104855      6.566383      5.654507
  C      -3.424874      7.329708      4.504146
  C      -3.450660      6.571336      3.179142
  C      -4.804231      6.486354      2.517651
  N      -5.799528      7.244918      2.997376
  C      -7.021309      7.091501      2.438231
  N      -7.382465      6.241512      1.488076
  C      -6.378092      5.472435      0.957798
  C      -6.682588      4.532730     -0.052538
  C      -5.680400      3.751681     -0.608826
  C      -4.346929      3.891331     -0.179301
  C      -4.020715      4.796282      0.820380
  C      -5.026699      5.592072      1.422129
  C      -6.146548      2.226921      7.101274
  C      -6.766584      3.422757      7.839709
  C      -8.289537      3.355729      7.917468
  C      -9.032789      3.666792      6.641472
  N      -8.355564      4.134782      5.591153
  C      -9.059102      4.439339      4.468278
  N     -10.358626      4.323975      4.275106
  C     -11.081284      3.838607      5.333096
  C     -12.480686      3.683665      5.197832
  C     -13.234436      3.203860      6.255030
  C     -12.617714      2.864619      7.477473
  C     -11.249263      3.003885      7.635786
  C     -10.450695      3.489745      6.569942
  H      -2.038188      2.319795      2.233521
  H      -3.745583      2.687542      2.498486
  H      -2.450584      0.009157      3.265534
  H      -3.211048      0.324009      1.706181
  H      -4.622625     -0.828877      3.632843
  H      -4.748092      0.804679      4.311639
  H      -8.072286      2.832856      2.077101
  H      -8.458654     -0.445054     -1.120379
  H      -7.193767     -2.537997     -1.661292
  H      -5.242378     -3.209070     -0.267567
  H      -4.533937     -1.818288      1.646855
  H      -5.137676      6.329831      5.364248
  H      -4.173477      7.240137      6.531228
  H      -2.378557      7.542536      4.774958
  H      -3.933395      8.297734      4.386720
  H      -2.738177      7.023618      2.466137
  H      -3.073953      5.543176      3.345274
  H      -7.809535      7.735539      2.843009
  H      -7.721496      4.438805     -0.370804
  H      -5.928427      3.019086     -1.378598
  H      -3.566281      3.274886     -0.628911
  H      -2.987330      4.888020      1.155782
  H      -6.376665      1.296496      7.658980
  H      -6.625133      2.124537      6.116152
  H      -6.362326      3.472974      8.862577
  H      -6.460080      4.348058      7.327975
  H      -8.601476      2.358000      8.273807
  H      -8.652665      4.057734      8.689112
  H      -8.469648      4.824419      3.629064
  H     -12.934641      3.953903      4.243434
  H     -14.313955      3.086678      6.145027
  H     -13.224920      2.489652      8.303086
  H     -10.784396      2.739893      8.586080
  N      -5.612342      3.883985      4.327661
  H      -6.442363      4.102112      4.914742
  H      -5.907608      3.067431      3.734655
  H      -5.498527      4.677292      3.684892
99
Coordinates from ORCA-job orca E -6204.962703885948
  N      -2.610897      2.563502      4.236445
  Mo     -3.818811      3.465081      5.539880
  N      -4.705273      2.338662      6.909945
  C      -3.910476      1.980578      8.082732
  C      -2.440978      1.915711      7.686471
  N      -2.091899      3.102676      6.858263
  C      -0.926224      2.856398      5.968548
  C      -1.359969      2.028957      4.766863
  C      -1.919945      4.334203      7.677141
  C      -2.214827      5.563804      6.827587
  N      -3.440860      5.338447      6.061787
  H      -0.559975      2.071537      4.002022
  H      -1.451010      0.961348      5.052374
  H      -0.576007      3.838863      5.622987
  H      -0.106375      2.372663      6.529153
  H      -2.328360      6.435117      7.500438
  H      -1.352582      5.795380      6.170209
  H      -2.652124      4.280255      8.494341
  H      -0.907493      4.366366      8.117820
  H      -4.214389      0.991708      8.477063
  H      -4.051458      2.699564      8.915988
  H      -2.277327      1.028628      7.059210
  H      -1.778643      1.846270      8.567848
  C      -2.914944      2.112687      2.883711
  C      -3.243874      0.616253      2.762343
  C      -4.613947      0.249545      3.369543
  C      -5.767490      0.546848      2.455682
  N      -6.488146      1.652617      2.689337
  C      -7.534107      1.916454      1.868274
  N      -7.949009      1.199004      0.839798
  C      -7.230185      0.063446      0.568196
  C      -7.614599     -0.751470     -0.520792
  C      -6.905192     -1.905339     -0.817459
  C      -5.795863     -2.282298     -0.034755
  C      -5.397909     -1.502726      1.040149
  C      -6.101032     -0.315302      1.365420
  C      -4.115313      6.569305      5.654062
  C      -3.431056      7.332150      4.505946
  C      -3.445424      6.570250      3.182693
  C      -4.793948      6.476924      2.512043
  N      -5.795358      7.234820      2.980013
  C      -7.012152      7.074697      2.412016
  N      -7.362882      6.219447      1.462632
  C      -6.351930      5.450849      0.944212
  C      -6.645255      4.506272     -0.064844
  C      -5.636498      3.724772     -0.608561
  C      -4.307478      3.868180     -0.166715
  C      -3.992140      4.778547      0.831627
  C      -5.004958      5.575954      1.419708
  C      -6.147164      2.222633      7.103573
  C      -6.766367      3.413511      7.850742
  C      -8.289282      3.346349      7.928105
  C      -9.031463      3.668923      6.654386
  N      -8.353782      4.151773      5.611116
  C      -9.056220      4.468439      4.490911
  N     -10.355052      4.351653      4.294016
  C     -11.078092      3.850887      5.344521
  C     -12.476772      3.693514      5.204725
  C     -13.231059      3.198879      6.254663
  C     -12.615622      2.846873      7.474170
  C     -11.247901      2.988180      7.636748
  C     -10.448758      3.488974      6.578277
  H      -2.050866      2.335963      2.225151
  H      -3.758454      2.700025      2.495108
  H      -2.455542      0.022539      3.252023
  H      -3.222970      0.339048      1.696348
  H      -4.623466     -0.821183      3.626969
  H      -4.750785      0.810881      4.308934
  H      -8.093881      2.829440      2.093875
  H      -8.479531     -0.442529     -1.109646
  H      -7.208049     -2.528831     -1.660583
  H      -5.247902     -3.194628     -0.276672
  H      -4.537310     -1.805115      1.637868
  H      -5.146725      6.331625      5.359848
  H      -4.187772      7.243453      6.530159
  H      -2.387091      7.548822      4.782717
  H      -3.941880      8.298317      4.383204
  H      -2.730196      7.023618      2.473127
  H      -3.064941      5.544318      3.354044
  H      -7.805725      7.717925      2.807602
  H      -7.681112      4.408691     -0.391941
  H      -5.876102      2.988290     -1.377268
  H      -3.521633      3.251061     -0.606240
  H      -2.962015      4.873936      1.176000
  H      -6.374733      1.288779      7.656614
  H      -6.628342      2.125361      6.119215
  H      -6.361613      3.456219      8.873745
  H      -6.459934      4.342414      7.345593
  H      -8.601625      2.345770      8.275922
  H      -8.652377      4.042135      8.705415
  H      -8.466719      4.867817      3.658385
  H     -12.929738      3.973962      4.252811
  H     -14.310021      3.079873      6.141217
  H     -13.223268      2.460318      8.294094
  H     -10.784062      2.714194      8.584713
  N      -5.624526      3.884712      4.332648
  H      -6.453633      4.098345      4.922559
  H      -5.918854      3.068517      3.738838
  H      -5.515529      4.679942      3.691375
99
Coordinates from ORCA-job orca E -6204.962699501191
  N      -2.611707      2.564142      4.234456
  Mo     -3.820699      3.463718      5.538376
  N      -4.706559      2.336784      6.908273
  C      -3.911446      1.979041      8.081004
  C      -2.441862      1.915397      7.684763
  N      -2.093633      3.102845      6.856789
  C      -0.927636      2.857982      5.967038
  C      -1.360414      2.030555      4.764968
  C      -1.922906      4.334234      7.676222
  C      -2.219339      5.563999      6.827493
  N      -3.444808      5.337109      6.061244
  H      -0.560288      2.074008      4.000315
  H      -1.450538      0.962796      5.050211
  H      -0.578510      3.840972      5.621859
  H      -0.107333      2.374923      6.527559
  H      -2.334503      6.434627      7.500941
  H      -1.357293      5.797378      6.170489
  H      -2.655061      4.278821      8.493337
  H      -0.910500      4.367283      8.116930
  H      -4.214702      0.989893      8.475127
  H      -4.052990      2.697832      8.914345
  H      -2.277434      1.028566      7.057361
  H      -1.779517      1.846338      8.566163
  C      -2.914902      2.113888      2.881411
  C      -3.241283      0.616919      2.758635
  C      -4.610830      0.247349      3.365006
  C      -5.764981      0.545473      2.452142
  N      -6.485676      1.650741      2.687934
  C      -7.532619      1.915349      1.868440
  N      -7.948309      1.199239      0.839357
  C      -7.229203      0.064407      0.565299
  C      -7.614421     -0.749011     -0.524507
  C      -6.904739     -1.902048     -0.823787
  C      -5.794305     -2.279610     -0.042957
  C      -5.395621     -1.501565      1.032799
  C      -6.099074     -0.315108      1.360805
  C      -4.122691      6.566683      5.655535
  C      -3.441273      7.334340      4.508995
  C      -3.448678      6.573710      3.184907
  C      -4.796610      6.466051      2.515161
  N      -5.807786      7.207221      2.988703
  C      -7.023285      7.032419      2.422181
  N      -7.363391      6.177513      1.468646
  C      -6.342492      5.426348      0.944276
  C      -6.623848      4.484002     -0.070276
  C      -5.604883      3.720393     -0.620348
  C      -4.277465      3.879538     -0.179128
  C      -3.973680      4.788017      0.824481
  C      -4.996779      5.567615      1.418664
  C      -6.148533      2.221503      7.102368
  C      -6.767193      3.413750      7.847866
  C      -8.290059      3.346822      7.927631
  C      -9.035417      3.671157      6.656040
  N      -8.360449      4.152088      5.610091
  C      -9.066454      4.471940      4.493007
  N     -10.366534      4.360248      4.301577
  C     -11.086965      3.861857      5.354967
  C     -12.486912      3.710525      5.221434
  C     -13.238602      3.219037      6.274744
  C     -12.619259      2.864285      7.491458
  C     -11.250204      2.999736      7.647916
  C     -10.453741      3.497138      6.585879
  H      -2.051318      2.339274      2.222931
  H      -3.759497      2.699911      2.493251
  H      -2.452166      0.024055      3.248078
  H      -3.219590      0.340666      1.692402
  H      -4.619238     -0.823914      3.620220
  H      -4.748520      0.806500      4.305601
  H      -8.092454      2.827809      2.096003
  H      -8.480155     -0.439587     -1.111931
  H      -7.208233     -2.524395     -1.667529
  H      -5.246077     -3.191209     -0.287017
  H      -4.534140     -1.804456      1.628998
  H      -5.153213      6.325841      5.360636
  H      -4.197774      7.238982      6.532805
  H      -2.399158      7.557652      4.787389
  H      -3.958334      8.297203      4.386456
  H      -2.738736      7.035519      2.475479
  H      -3.056917      5.551754      3.354653
  H      -7.825414      7.661616      2.823035
  H      -7.658642      4.373759     -0.396751
  H      -5.835158      2.985626     -1.393529
  H      -3.483592      3.276447     -0.623651
  H      -2.944480      4.896128      1.167798
  H      -6.376168      1.288558      7.656923
  H      -6.630022      2.122871      6.118349
  H      -6.361078      3.458214      8.870253
  H      -6.461424      4.341782      7.340735
  H      -8.602001      2.345798      8.274745
  H      -8.651661      4.041355      8.706715
  H      -8.479188      4.871075      3.658756
  H     -12.942993      3.993145      4.271651
  H     -14.318576      3.104783      6.166143
  H     -13.224894      2.480307      8.314074
  H     -10.783179      2.723663      8.593727
  N      -5.626238      3.883188      4.330791
  H      -6.454053      4.100864      4.921273
  H      -5.923799      3.065934      3.740035
  H      -5.516139      4.676293      3.687013
99
Coordinates from ORCA-job orca E -6204.962706071221
  N      -2.611638      2.563626      4.235397
  Mo     -3.820458      3.463799      5.539013
  N      -4.706195      2.336685      6.908962
  C      -3.911048      1.978692      8.081557
  C      -2.441501      1.915086      7.685225
  N      -2.093371      3.102650      6.857457
  C      -0.927389      2.857910      5.967710
  C      -1.360193      2.030296      4.765800
  C      -1.922765      4.333989      7.676944
  C      -2.218809      5.563714      6.828001
  N      -3.444336      5.337278      6.061719
  H      -0.560192      2.073791      4.001020
  H      -1.450129      0.962552      5.051152
  H      -0.578365      3.840902      5.622433
  H      -0.106990      2.374970      6.528190
  H      -2.333615      6.434514      7.501296
  H      -1.356657      5.796682      6.170998
  H      -2.655085      4.278739      8.493919
  H      -0.910436      4.366949      8.117839
  H      -4.214233      0.989453      8.475518
  H      -4.052538      2.697271      8.915082
  H      -2.277132      1.028343      7.057675
  H      -1.779119      1.845854      8.566585
  C      -2.915096      2.112811      2.882540
  C      -3.242135      0.615984      2.760492
  C      -4.612144      0.247389      3.366561
  C      -5.765529      0.545011      2.452591
  N      -6.486322      1.650529      2.686926
  C      -7.531975      1.915090      1.865724
  N      -7.946521      1.198487      0.836520
  C      -7.227475      0.063243      0.564128
  C      -7.611455     -0.750693     -0.525740
  C      -6.901744     -1.904130     -0.823359
  C      -5.792508     -2.281605     -0.040774
  C      -5.394999     -1.503021      1.035016
  C      -6.098507     -0.316118      1.361345
  C      -4.120738      6.567394      5.655011
  C      -3.437559      7.333055      4.508127
  C      -3.447792      6.572080      3.184292
  C      -4.795521      6.472483      2.512953
  N      -5.801642      7.223094      2.982501
  C      -7.017457      7.056344      2.414275
  N      -7.362777      6.200921      1.463060
  C      -6.346994      5.439891      0.942942
  C      -6.634276      4.495780     -0.068302
  C      -5.620500      3.722128     -0.613932
  C      -4.292400      3.873105     -0.171843
  C      -3.982931      4.783084      0.828669
  C      -5.000856      5.572516      1.418704
  C      -6.148106      2.221423      7.103324
  C      -6.766416      3.413507      7.849336
  C      -8.289256      3.346923      7.928771
  C      -9.033538      3.669744      6.656294
  N      -8.357310      4.149092      5.610458
  C      -9.061873      4.466218      4.491705
  N     -10.361608      4.353202      4.298601
  C     -11.083279      3.856358      5.351908
  C     -12.482889      3.703518      5.216469
  C     -13.235762      3.213091      6.269415
  C     -12.617959      2.860876      7.487652
  C     -11.249279      2.997813      7.645991
  C     -10.451607      3.494271      6.584396
  H      -2.051333      2.337450      2.224045
  H      -3.759357      2.699117      2.494062
  H      -2.453442      0.022971      3.250448
  H      -3.220241      0.339189      1.694405
  H      -4.620961     -0.823655      3.622675
  H      -4.750039      0.807418      4.306589
  H      -8.092004      2.827742      2.092097
  H      -8.476276     -0.441334     -1.114538
  H      -7.204264     -2.526864     -1.667166
  H      -5.244268     -3.193558     -0.283488
  H      -4.534459     -1.805829      1.632606
  H      -5.151523      6.327970      5.359988
  H      -4.195018      7.240402      6.531827
  H      -2.394641      7.553035      4.786201
  H      -3.951504      8.297579      4.385515
  H      -2.734425      7.029499      2.475449
  H      -3.062408      5.547866      3.354943
  H      -7.815138      7.693509      2.811400
  H      -7.669458      4.392312     -0.395719
  H      -5.855385      2.986049     -1.384482
  H      -3.502591      3.262199     -0.612959
  H      -2.953420      4.884424      1.173134
  H      -6.375714      1.288340      7.657641
  H      -6.629813      2.123145      6.119341
  H      -6.360390      3.457669      8.871772
  H      -6.460385      4.341591      7.342434
  H      -8.601543      2.346419      8.276991
  H      -8.650991      4.042681      8.706719
  H      -8.473518      4.862998      3.657120
  H     -12.937733      3.984060      4.265477
  H     -14.315458      3.097632      6.159332
  H     -13.224504      2.477660      8.309955
  H     -10.783512      2.723697      8.592982
  N      -5.625973      3.882833      4.331286
  H      -6.454928      4.097341      4.921210
  H      -5.920896      3.066416      3.738063
  H      -5.516595      4.677616      3.689530
99
Coordinates from ORCA-job orca E -6204.962706330593
  N      -2.611428      2.563733      4.235371
  Mo     -3.820075      3.464067      5.539013
  N      -4.705959      2.336976      6.908879
  C      -3.910895      1.978873      8.081491
  C      -2.441340      1.915087      7.685189
  N      -2.093020      3.102602      6.857425
  C      -0.927094      2.857663      5.967660
  C      -1.360056      2.030176      4.765719
  C      -1.922189      4.333914      7.676898
  C      -2.218068      5.563699      6.827984
  N      -3.443674      5.337477      6.061777
  H      -0.560065      2.073603      4.000924
  H      -1.450156      0.962427      5.050999
  H      -0.577864      3.840589      5.622406
  H      -0.106785      2.374544      6.528122
  H      -2.332691      6.434502      7.501308
  H      -1.355911      5.796546      6.170941
  H      -2.654481      4.278792      8.493908
  H      -0.909841      4.366723      8.117761
  H      -4.214208      0.989662      8.475423
  H      -4.052319      2.697450      8.915029
  H      -2.277093      1.028329      7.057630
  H      -1.778977      1.845751      8.566553
  C      -2.915022      2.112962      2.882526
  C      -3.242336      0.616197      2.760594
  C      -4.612309      0.247901      3.366933
  C      -5.765825      0.545494      2.453119
  N      -6.486584      1.651027      2.687468
  C      -7.532571      1.915317      1.866596
  N      -7.947466      1.198434      0.837723
  C      -7.228445      0.063185      0.565313
  C      -7.612803     -0.751056     -0.524198
  C      -6.903163     -1.904549     -0.821769
  C      -5.793649     -2.281797     -0.039472
  C      -5.395780     -1.502919      1.035974
  C      -6.099163     -0.315918      1.362202
  C      -4.119924      6.567710      5.655162
  C      -3.436839      7.333193      4.508115
  C      -3.447550      6.572182      3.184310
  C      -4.795440      6.472935      2.513258
  N      -5.801271      7.223850      2.982959
  C      -7.017249      7.057359      2.415009
  N      -7.363000      6.201873      1.464007
  C      -6.347515      5.440571      0.943708
  C      -6.635267      4.496366     -0.067314
  C      -5.621804      3.722406     -0.613085
  C      -4.293555      3.873165     -0.171371
  C      -3.983627      4.783227      0.828924
  C      -5.001228      5.572956      1.419112
  C      -6.147883      2.221598      7.103048
  C      -6.766399      3.413543      7.849105
  C      -8.289263      3.346871      7.928151
  C      -9.033249      3.669708      6.655489
  N      -8.356885      4.149851      5.610100
  C      -9.061184      4.467107      4.491219
  N     -10.360786      4.353496      4.297576
  C     -11.082592      3.855837      5.350403
  C     -12.482067      3.702313      5.214354
  C     -13.235095      3.211064      6.266806
  C     -12.617584      2.858707      7.485151
  C     -11.249040      2.996305      7.644084
  C     -10.451206      3.493578      6.582992
  H      -2.051246      2.337415      2.223988
  H      -3.759190      2.699425      2.494083
  H      -2.453670      0.023095      3.250486
  H      -3.220637      0.339333      1.694522
  H      -4.621224     -0.823100      3.623232
  H      -4.749941      0.808113      4.306888
  H      -8.092538      2.828023      2.092898
  H      -8.477857     -0.441885     -1.112752
  H      -7.205972     -2.527514     -1.665302
  H      -5.245484     -3.193811     -0.282125
  H      -4.535037     -1.805557      1.633360
  H      -5.150820      6.328490      5.360372
  H      -4.193878      7.240763      6.531973
  H      -2.393801      7.552927      4.785945
  H      -3.950562      8.297845      4.385582
  H      -2.734174      7.029338      2.475310
  H      -3.062455      5.547850      3.354934
  H      -7.814676      7.694781      2.812227
  H      -7.670563      4.393061     -0.394418
  H      -5.857050      2.986244     -1.383445
  H      -3.503990      3.262021     -0.612586
  H      -2.954004      4.884378      1.173123
  H      -6.375504      1.288439      7.657235
  H      -6.629445      2.123389      6.118990
  H      -6.360637      3.457522      8.871655
  H      -6.460267      4.341737      7.342466
  H      -8.601561      2.346343      8.276273
  H      -8.651223      4.042590      8.706032
  H      -8.472706      4.864519      3.657014
  H     -12.936680      3.982996      4.263292
  H     -14.314685      3.095072      6.156253
  H     -13.224251      2.474853      8.307066
  H     -10.783508      2.722076      8.591158
  N      -5.625621      3.883328      4.331434
  H      -6.454494      4.098186      4.921355
  H      -5.920787      3.066807      3.738484
  H      -5.516103      4.677893      3.689426
