98
Coordinates from ORCA-job orca E -6478.215282325817
  N      -4.638728      3.599312      5.119316
  Mo     -3.956368      1.810935      4.680588
  N      -4.489662      0.931504      6.344889
  C      -3.605303      1.069143      7.487190
  C      -3.012992      2.484055      7.483944
  N      -2.475424      2.797070      6.148700
  C      -2.473082      4.246038      5.908935
  C      -3.915206      4.721017      5.657494
  C      -1.126465      2.236958      5.969538
  C      -1.085589      1.587778      4.573774
  N      -2.290432      0.795913      4.463017
  H      -3.910940      5.563334      4.947102
  H      -4.379133      5.081912      6.588582
  H      -1.879690      4.434100      5.009715
  H      -2.021671      4.783462      6.752270
  H      -0.174969      0.992414      4.457307
  H      -1.089594      2.368849      3.803603
  H      -0.955953      1.457155      6.715819
  H      -0.353354      3.002401      6.080389
  H      -4.142281      0.916261      8.431608
  H      -2.802646      0.317944      7.437638
  H      -3.823786      3.183326      7.700849
  H      -2.238340      2.589825      8.251754
  C      -5.729830      3.856586      4.244856
  C      -7.032482      4.272914      4.950313
  C      -7.604621      3.062088      5.692735
  O      -7.660695      1.955017      4.790409
  C      -8.730322      1.957469      3.944903
  N      -9.907345      2.273386      4.471678
  C     -10.944164      2.331325      3.652544
  N     -10.934481      2.168540      2.359383
  C      -9.740129      1.901460      1.787959
  C      -9.652144      1.807458      0.395308
  C      -8.403827      1.575502     -0.158853
  C      -7.299918      1.484801      0.672966
  N      -7.335207      1.592579      2.002165
  C      -8.558233      1.772770      2.559407
  C      -2.054322     -0.615237      4.663857
  C      -1.470180     -1.294011      3.394395
  C      -2.454967     -2.229664      2.677048
  O      -2.350508     -2.159232      1.252208
  C      -2.882678     -1.109158      0.648884
  N      -3.378880     -0.112517      1.346043
  C      -4.002499      0.872026      0.683960
  N      -4.163505      0.975400     -0.598441
  C      -3.610572     -0.003662     -1.367068
  C      -3.706351      0.031648     -2.772205
  C      -3.133450     -0.986335     -3.491225
  C      -2.477445     -2.023321     -2.804456
  N      -2.376001     -2.083149     -1.500971
  C      -2.926368     -1.095194     -0.783660
  C      -5.731400      0.276412      6.655216
  C      -5.664114     -1.270275      6.755426
  C      -6.832241     -1.916173      6.010252
  O      -6.609857     -1.787843      4.598719
  C      -7.569685     -1.270128      3.791615
  N      -8.710683     -0.843874      4.292466
  C      -9.667242     -0.547039      3.421556
  N      -9.671345     -0.769739      2.136726
  C      -8.486779     -1.136563      1.593890
  C      -8.374867     -1.373168      0.216522
  C      -7.155974     -1.821508     -0.273745
  C      -6.091165     -1.958127      0.598738
  N      -6.147529     -1.703858      1.904399
  C      -7.342187     -1.330689      2.393817
  H      -5.470165      4.621167      3.479906
  H      -5.904782      2.887218      3.748612
  H      -6.859558      5.088178      5.653289
  H      -7.754289      4.608279      4.199511
  H      -8.600308      3.263796      6.095829
  H      -6.926721      2.755329      6.492614
  H     -11.895600      2.568424      4.111638
  H     -10.542501      1.899169     -0.204987
  H      -8.270753      1.484256     -1.225362
  H      -6.319711      1.319980      0.252976
  H      -1.351068     -0.774876      5.494274
  H      -3.006427     -1.092097      4.923871
  H      -0.570143     -1.853502      3.643809
  H      -1.189837     -0.503215      2.695072
  H      -3.492417     -2.001647      2.953227
  H      -2.243621     -3.276845      2.900795
  H      -4.407299      1.656272      1.295793
  H      -4.218377      0.858976     -3.239208
  H      -3.176732     -0.998046     -4.568419
  H      -2.013666     -2.838443     -3.342159
  H      -6.440189      0.520001      5.861403
  H      -6.145452      0.660837      7.601218
  H      -4.734900     -1.625813      6.303016
  H      -5.688461     -1.601436      7.792073
  H      -7.785740     -1.448350      6.267561
  H      -6.883364     -2.989426      6.222958
  H     -10.592875     -0.198171      3.851901
  H      -9.235963     -1.246297     -0.420243
  H      -7.031491     -2.054486     -1.319444
  H      -5.129173     -2.306833      0.242688
  N      -5.288559      1.059993      3.197937
  H      -5.679792      1.595413      2.415033
  H      -5.648974      0.100879      3.144303
98
Coordinates from ORCA-job orca E -6478.248364584757
  N      -4.601252      3.615524      5.185254
  Mo     -3.912706      1.825797      4.728051
  N      -4.471982      0.921988      6.367938
  C      -3.602728      1.047517      7.528001
  C      -3.013905      2.465377      7.555053
  N      -2.455722      2.801764      6.229218
  C      -2.449300      4.256291      6.009657
  C      -3.883444      4.730526      5.747268
  C      -1.099046      2.248462      6.051873
  C      -1.044856      1.626094      4.641189
  N      -2.243352      0.819767      4.503888
  H      -3.873346      5.583655      5.048622
  H      -4.358158      5.078136      6.680038
  H      -1.842958      4.456409      5.119711
  H      -2.007130      4.782918      6.867165
  H      -0.127586      1.038621      4.517796
  H      -1.047699      2.425176      3.886974
  H      -0.928447      1.455585      6.786708
  H      -0.331007      3.018985      6.183895
  H      -4.154701      0.880914      8.462962
  H      -2.796349      0.297349      7.481374
  H      -3.830472      3.161011      7.769656
  H      -2.250057      2.562116      8.337922
  C      -5.692249      3.902505      4.303810
  C      -7.001963      4.324813      5.018370
  C      -7.610467      3.128454      5.749103
  O      -7.750928      2.045850      4.827698
  C      -8.897154      2.108638      4.075913
  N     -10.011707      2.395449      4.745482
  C     -11.143374      2.481158      4.052872
  N     -11.289724      2.369507      2.755262
  C     -10.164141      2.133365      2.038759
  C     -10.235882      2.074396      0.638599
  C      -9.059910      1.859030     -0.066857
  C      -7.860996      1.759199      0.629867
  N      -7.753614      1.832693      1.955296
  C      -8.894776      1.986699      2.666391
  C      -1.963817     -0.590184      4.676351
  C      -1.352347     -1.221914      3.392969
  C      -2.247892     -2.227487      2.639326
  O      -2.133267     -2.156202      1.207285
  C      -2.802591     -1.220457      0.540426
  N      -3.534281     -0.317531      1.160599
  C      -4.293277      0.502887      0.405942
  N      -4.374989      0.529814     -0.896250
  C      -3.582179     -0.346541     -1.576474
  C      -3.578259     -0.379677     -2.986984
  C      -2.767796     -1.292748     -3.620850
  C      -1.976717     -2.161253     -2.844463
  N      -1.961569     -2.156424     -1.528402
  C      -2.744933     -1.264873     -0.894617
  C      -5.733472      0.263960      6.629238
  C      -5.721377     -1.290034      6.721668
  C      -6.889682     -1.904280      5.940720
  O      -6.627701     -1.810153      4.529693
  C      -7.525594     -1.264352      3.669220
  N      -8.660448     -0.741838      4.097847
  C      -9.555399     -0.397222      3.163537
  N      -9.503204     -0.648665      1.876168
  C      -8.317055     -1.118254      1.408069
  C      -8.138587     -1.382850      0.037545
  C      -6.931696     -1.933373     -0.374415
  C      -5.929783     -2.139960      0.563483
  N      -6.040322     -1.855377      1.863583
  C      -7.232706     -1.382037      2.280691
  H      -5.421953      4.679323      3.555966
  H      -5.876953      2.949878      3.785525
  H      -6.790564      5.124903      5.733105
  H      -7.728696      4.692603      4.284969
  H      -8.591182      3.345318      6.183808
  H      -6.916738      2.794499      6.526325
  H     -12.037785      2.693227      4.632939
  H     -11.194725      2.172588      0.148538
  H      -9.057479      1.785090     -1.144729
  H      -6.921014      1.610827      0.103501
  H      -1.251703     -0.725852      5.505682
  H      -2.891048     -1.117715      4.932811
  H      -0.420625     -1.735040      3.639644
  H      -1.115712     -0.398461      2.713464
  H      -3.311442     -2.117252      2.891118
  H      -1.924020     -3.245581      2.870245
  H      -4.915257      1.201630      0.952102
  H      -4.206723      0.317234     -3.527106
  H      -2.729566     -1.349057     -4.700788
  H      -1.326498     -2.890712     -3.316508
  H      -6.412181      0.532499      5.815318
  H      -6.167996      0.646584      7.568191
  H      -4.788959     -1.680509      6.300549
  H      -5.791805     -1.617274      7.761042
  H      -7.832957     -1.398775      6.170568
  H      -6.986376     -2.975000      6.158733
  H     -10.474245      0.050264      3.532949
  H      -8.946389     -1.191076     -0.655999
  H      -6.763893     -2.191110     -1.412158
  H      -4.979112     -2.569835      0.264351
  N      -5.199081      1.090014      3.252397
  H      -5.580423      1.627591      2.469044
  H      -5.549577      0.130779      3.186965
98
Coordinates from ORCA-job orca E -6478.272871642588
  N      -4.601863      3.619891      5.161667
  Mo     -3.935045      1.809434      4.720453
  N      -4.485909      0.903469      6.366930
  C      -3.602570      1.041565      7.519824
  C      -3.017587      2.457532      7.548793
  N      -2.462064      2.787091      6.217101
  C      -2.442085      4.243714      5.984121
  C      -3.867011      4.730053      5.716721
  C      -1.105435      2.221147      6.036120
  C      -1.060818      1.597665      4.627352
  N      -2.267107      0.792048      4.490884
  H      -3.846383      5.578345      5.010522
  H      -4.338329      5.092679      6.648387
  H      -1.832915      4.428356      5.090094
  H      -1.989800      4.773196      6.837965
  H      -0.145342      1.003372      4.499966
  H      -1.058055      2.399075      3.872176
  H      -0.937927      1.428937      6.775675
  H      -0.330679      2.989779      6.165210
  H      -4.150300      0.871545      8.458889
  H      -2.789549      0.295237      7.470136
  H      -3.831561      3.157903      7.767777
  H      -2.247581      2.553683      8.329819
  C      -5.698243      3.937154      4.275117
  C      -7.003298      4.395549      4.975962
  C      -7.635029      3.208083      5.683204
  O      -7.760369      2.164728      4.710240
  C      -8.891608      2.185554      3.930386
  N     -10.052635      2.331574      4.568385
  C     -11.170152      2.309833      3.831923
  N     -11.268313      2.211283      2.520122
  C     -10.095654      2.115585      1.837674
  C     -10.109121      2.038772      0.432332
  C      -8.894207      1.936308     -0.233808
  C      -7.710858      1.978026      0.503061
  N      -7.658064      2.071242      1.832822
  C      -8.833358      2.102435      2.511434
  C      -2.009404     -0.626814      4.661757
  C      -1.396364     -1.269440      3.382338
  C      -2.302624     -2.255005      2.618018
  O      -2.156831     -2.180310      1.183058
  C      -2.796161     -1.218782      0.517825
  N      -3.509606     -0.309952      1.149424
  C      -4.243774      0.543809      0.401589
  N      -4.315163      0.598767     -0.908648
  C      -3.532928     -0.288975     -1.594290
  C      -3.514805     -0.298132     -3.006984
  C      -2.719123     -1.221277     -3.653215
  C      -1.954434     -2.125885     -2.886687
  N      -1.950296     -2.147677     -1.563553
  C      -2.722326     -1.243747     -0.919760
  C      -5.734776      0.226256      6.669301
  C      -5.648638     -1.329831      6.794353
  C      -6.800699     -2.029094      6.074377
  O      -6.573821     -1.936291      4.661145
  C      -7.540707     -1.429450      3.868601
  N      -8.670876     -0.984777      4.389809
  C      -9.634859     -0.623109      3.524959
  N      -9.623615     -0.774088      2.214783
  C      -8.444252     -1.161203      1.656366
  C      -8.314827     -1.286106      0.257803
  C      -7.106426     -1.749381     -0.252748
  C      -6.051173     -2.005586      0.624800
  N      -6.114707     -1.840158      1.950955
  C      -7.309136     -1.453465      2.458642
  H      -5.408071      4.704879      3.527041
  H      -5.915903      2.997024      3.755039
  H      -6.781029      5.193394      5.696544
  H      -7.716006      4.782997      4.235186
  H      -8.618552      3.418967      6.118910
  H      -6.949468      2.847326      6.459039
  H     -12.104641      2.408110      4.388481
  H     -11.060766      2.022311     -0.090412
  H      -8.847671      1.833831     -1.312634
  H      -6.741172      1.923245      0.003932
  H      -1.305018     -0.775850      5.498009
  H      -2.949053     -1.137572      4.914040
  H      -0.473020     -1.799515      3.642289
  H      -1.135171     -0.450867      2.702289
  H      -3.367580     -2.119488      2.857085
  H      -2.006708     -3.283499      2.849859
  H      -4.862871      1.243406      0.966449
  H      -4.123662      0.426398     -3.542250
  H      -2.672773     -1.258291     -4.738681
  H      -1.316575     -2.863933     -3.374035
  H      -6.446678      0.463680      5.871296
  H      -6.154212      0.615320      7.614353
  H      -4.707306     -1.681573      6.351529
  H      -5.670159     -1.637250      7.846460
  H      -7.764352     -1.567517      6.323649
  H      -6.836200     -3.100533      6.316031
  H     -10.551328     -0.212690      3.969999
  H      -9.161391     -1.043228     -0.382210
  H      -6.972298     -1.898212     -1.321304
  H      -5.093384     -2.364309      0.245344
  N      -5.213627      1.076934      3.278886
  H      -5.591702      1.609893      2.492550
  H      -5.579187      0.120776      3.213025
98
Coordinates from ORCA-job orca E -6478.286998172395
  N      -4.544714      3.696207      5.170937
  Mo     -3.947064      1.851584      4.728011
  N      -4.532631      0.950828      6.362271
  C      -3.644250      1.059560      7.521298
  C      -3.010392      2.452159      7.564802
  N      -2.435234      2.772492      6.232800
  C      -2.358887      4.232842      6.002920
  C      -3.761653      4.773199      5.732699
  C      -1.094186      2.155720      6.040916
  C      -1.071265      1.552015      4.624279
  N      -2.305860      0.783069      4.474587
  H      -3.707522      5.624537      5.029899
  H      -4.219563      5.152245      6.667552
  H      -1.738583      4.392967      5.109325
  H      -1.883319      4.741719      6.859928
  H      -0.174372      0.928016      4.484426
  H      -1.037306      2.366330      3.880785
  H      -0.954932      1.350009      6.774778
  H      -0.292447      2.898572      6.180938
  H      -4.203536      0.900512      8.457765
  H      -2.852948      0.286890      7.472930
  H      -3.798905      3.183817      7.784344
  H      -2.239151      2.516228      8.351922
  C      -5.641796      4.078327      4.291691
  C      -6.916283      4.584278      5.011043
  C      -7.578345      3.419354      5.735199
  O      -7.744862      2.346164      4.792868
  C      -8.874582      2.306983      4.024466
  N     -10.046019      2.432371      4.649272
  C     -11.158649      2.298903      3.904478
  N     -11.242464      2.101970      2.595475
  C     -10.052525      2.021722      1.929254
  C     -10.038294      1.817535      0.533615
  C      -8.812777      1.711532     -0.110590
  C      -7.634397      1.880131      0.629043
  N      -7.601182      2.096407      1.947797
  C      -8.792422      2.130021      2.611340
  C      -2.129235     -0.655312      4.619626
  C      -1.551212     -1.326366      3.337176
  C      -2.543816     -2.219184      2.572513
  O      -2.388186     -2.147314      1.132194
  C      -2.922766     -1.104419      0.494211
  N      -3.499064     -0.131904      1.166748
  C      -4.138346      0.827044      0.458073
  N      -4.236667      0.930178     -0.854562
  C      -3.584245     -0.035796     -1.576985
  C      -3.598537     -0.010539     -2.990757
  C      -2.937935     -1.009243     -3.681885
  C      -2.272413     -2.024533     -2.958553
  N      -2.238665     -2.086546     -1.631108
  C      -2.881587     -1.106354     -0.946426
  C      -5.815261      0.313035      6.635721
  C      -5.770989     -1.240732      6.799660
  C      -6.908542     -1.965941      6.083969
  O      -6.629732     -1.979227      4.671200
  C      -7.540245     -1.540201      3.778884
  N      -8.695253     -1.018055      4.161384
  C      -9.584761     -0.718620      3.182288
  N      -9.467884     -0.989187      1.890278
  C      -8.257298     -1.464466      1.474213
  C      -8.005626     -1.715687      0.104694
  C      -6.772281     -2.253124     -0.252730
  C      -5.800532     -2.464026      0.738919
  N      -5.976795     -2.181016      2.034239
  C      -7.200107     -1.715289      2.397314
  H      -5.323751      4.836818      3.547674
  H      -5.919931      3.165372      3.762246
  H      -6.658775      5.375446      5.734008
  H      -7.617284      5.005137      4.273818
  H      -8.547995      3.660719      6.191378
  H      -6.888460      3.046430      6.504986
  H     -12.105974      2.383058      4.449921
  H     -10.985446      1.702081      0.006294
  H      -8.749811      1.503955     -1.178396
  H      -6.658132      1.824717      0.135356
  H      -1.443924     -0.862591      5.461827
  H      -3.104772     -1.104258      4.858595
  H      -0.667823     -1.927000      3.598779
  H      -1.221620     -0.527994      2.659090
  H      -3.588290     -1.976690      2.821689
  H      -2.354882     -3.277426      2.790470
  H      -4.654882      1.579829      1.067808
  H      -4.126571      0.800796     -3.494670
  H      -2.922174     -1.021897     -4.773233
  H      -1.742577     -2.822715     -3.488697
  H      -6.501649      0.568240      5.817314
  H      -6.245479      0.729142      7.565836
  H      -4.820671     -1.627753      6.401030
  H      -5.827796     -1.504500      7.866710
  H      -7.879578     -1.489044      6.276576
  H      -6.956551     -3.021918      6.390410
  H     -10.514815     -0.217721      3.504132
  H      -8.784672     -1.497037     -0.630070
  H      -6.546740     -2.493742     -1.293099
  H      -4.817815     -2.874548      0.476554
  N      -5.228479      1.165759      3.331281
  H      -5.602948      1.700623      2.542855
  H      -5.615142      0.220625      3.271413
98
Coordinates from ORCA-job orca E -6478.298498403515
  N      -4.578837      3.644761      5.149523
  Mo     -3.941956      1.794594      4.743834
  N      -4.501442      0.898443      6.385257
  C      -3.609622      1.039300      7.540980
  C      -3.011351      2.445571      7.574995
  N      -2.442529      2.772153      6.239442
  C      -2.398933      4.232613      5.989202
  C      -3.811167      4.739028      5.705640
  C      -1.084704      2.184038      6.041888
  C      -1.051244      1.588319      4.625055
  N      -2.261444      0.780833      4.473871
  H      -3.769936      5.584944      4.994594
  H      -4.280431      5.122186      6.634726
  H      -1.777747      4.388876      5.094716
  H      -1.930634      4.761806      6.839027
  H      -0.137493      0.989168      4.475774
  H      -1.037463      2.406969      3.884873
  H      -0.924752      1.383996      6.778752
  H      -0.303007      2.949489      6.183358
  H      -4.166284      0.874104      8.479142
  H      -2.800163      0.284334      7.500947
  H      -3.815389      3.163757      7.786590
  H      -2.241373      2.535572      8.362266
  C      -5.689003      4.031252      4.274865
  C      -6.964990      4.525007      4.992109
  C      -7.667248      3.361256      5.691848
  O      -7.858865      2.305261      4.726788
  C      -8.968982      2.319967      3.948090
  N     -10.156457      2.456567      4.536856
  C     -11.243880      2.367233      3.741994
  N     -11.281382      2.204640      2.422523
  C     -10.063030      2.114916      1.802470
  C      -9.988329      1.940730      0.402909
  C      -8.740532      1.820475     -0.192302
  C      -7.585900      1.939584      0.602271
  N      -7.604880      2.127259      1.926038
  C      -8.828472      2.176178      2.535550
  C      -2.058845     -0.655326      4.608228
  C      -1.474906     -1.314058      3.323301
  C      -2.478570     -2.209486      2.581377
  O      -2.343670     -2.157906      1.132602
  C      -2.898101     -1.117365      0.500516
  N      -3.449613     -0.137613      1.187663
  C      -4.107778      0.819815      0.493285
  N      -4.250417      0.919490     -0.817932
  C      -3.623690     -0.058387     -1.550876
  C      -3.684243     -0.041678     -2.963283
  C      -3.050649     -1.048181     -3.670985
  C      -2.365350     -2.062149     -2.965552
  N      -2.285202     -2.120927     -1.637245
  C      -2.903310     -1.131457     -0.939564
  C      -5.776049      0.245739      6.656993
  C      -5.703345     -1.296801      6.833786
  C      -6.838629     -2.027014      6.132709
  O      -6.582488     -2.030528      4.710821
  C      -7.509523     -1.571486      3.848135
  N      -8.645416     -1.032140      4.261764
  C      -9.545223     -0.682964      3.303176
  N      -9.450556     -0.900597      1.998955
  C      -8.255387     -1.397435      1.555649
  C      -8.017581     -1.598011      0.173435
  C      -6.800758     -2.143261     -0.217417
  C      -5.822509     -2.424265      0.756033
  N      -5.983049     -2.199133      2.062893
  C      -7.192917     -1.717989      2.455760
  H      -5.371488      4.791779      3.534824
  H      -5.983689      3.132605      3.734185
  H      -6.711404      5.308830      5.727003
  H      -7.649482      4.961902      4.247488
  H      -8.636921      3.629230      6.136638
  H      -7.009094      2.943832      6.468366
  H     -12.211036      2.456165      4.252027
  H     -10.916491      1.861142     -0.166131
  H      -8.639549      1.636218     -1.264548
  H      -6.591531      1.870365      0.143695
  H      -1.373322     -0.854344      5.453440
  H      -3.027265     -1.118829      4.848404
  H      -0.581832     -1.904856      3.580882
  H      -1.152827     -0.516019      2.639804
  H      -3.517210     -1.959985      2.845627
  H      -2.294313     -3.268433      2.802908
  H      -4.603933      1.575865      1.121460
  H      -4.226811      0.769164     -3.455081
  H      -3.071948     -1.067709     -4.763450
  H      -1.858335     -2.863983     -3.514466
  H      -6.465731      0.488812      5.836049
  H      -6.211729      0.669549      7.581699
  H      -4.748485     -1.672676      6.433094
  H      -5.748127     -1.556680      7.904402
  H      -7.810810     -1.556814      6.338210
  H      -6.876280     -3.084260      6.437951
  H     -10.449868     -0.164077      3.653581
  H      -8.796576     -1.326943     -0.543087
  H      -6.586677     -2.339117     -1.270910
  H      -4.850987     -2.841026      0.462446
  N      -5.188769      1.046871      3.418227
  H      -5.603656      1.539873      2.618446
  H      -5.532908      0.085794      3.391375
98
Coordinates from ORCA-job orca E -6478.305919286695
  N      -4.585230      3.633908      5.115092
  Mo     -3.954828      1.768406      4.753279
  N      -4.517893      0.885713      6.395346
  C      -3.633012      1.032318      7.553452
  C      -3.031251      2.436229      7.581611
  N      -2.450734      2.755182      6.251048
  C      -2.403347      4.211289      5.984967
  C      -3.810580      4.721655      5.677384
  C      -1.095450      2.163081      6.058833
  C      -1.056435      1.585284      4.638776
  N      -2.258031      0.777297      4.469632
  H      -3.752668      5.563685      4.963560
  H      -4.289794      5.116082      6.595771
  H      -1.770874      4.351100      5.096840
  H      -1.938633      4.747210      6.831078
  H      -0.142139      0.989488      4.483449
  H      -1.036596      2.410827      3.908024
  H      -0.943625      1.360847      6.793628
  H      -0.315807      2.926806      6.213493
  H      -4.197465      0.874033      8.487782
  H      -2.827845      0.274348      7.526183
  H      -3.831988      3.161074      7.779068
  H      -2.268354      2.530211      8.373829
  C      -5.690189      4.047463      4.247875
  C      -6.949878      4.547650      4.973889
  C      -7.657144      3.382514      5.663629
  O      -7.844074      2.330949      4.690812
  C      -8.958227      2.354037      3.929992
  N     -10.141890      2.463901      4.526645
  C     -11.227158      2.352765      3.734400
  N     -11.265237      2.187765      2.418830
  C     -10.049311      2.124908      1.794458
  C      -9.976793      1.942936      0.397206
  C      -8.731135      1.844004     -0.200990
  C      -7.576600      1.984362      0.589219
  N      -7.591865      2.178015      1.911169
  C      -8.816580      2.213806      2.518416
  C      -2.051482     -0.658060      4.583345
  C      -1.451273     -1.300181      3.299505
  C      -2.450321     -2.192506      2.550597
  O      -2.303623     -2.150002      1.101785
  C      -2.873357     -1.114428      0.472203
  N      -3.434963     -0.142104      1.166706
  C      -4.106033      0.807379      0.479417
  N      -4.256218      0.911541     -0.827308
  C      -3.623359     -0.057494     -1.565705
  C      -3.693423     -0.036270     -2.976320
  C      -3.054268     -1.034078     -3.690056
  C      -2.355852     -2.040602     -2.992655
  N      -2.265582     -2.104519     -1.666880
  C      -2.888551     -1.124911     -0.964954
  C      -5.797481      0.244898      6.654991
  C      -5.718820     -1.286634      6.863065
  C      -6.848837     -2.023823      6.167562
  O      -6.581671     -2.049292      4.746249
  C      -7.517120     -1.608762      3.883144
  N      -8.654680     -1.082658      4.301058
  C      -9.554437     -0.734905      3.347846
  N      -9.457577     -0.925310      2.043715
  C      -8.262443     -1.414270      1.598016
  C      -8.020227     -1.585286      0.213845
  C      -6.801821     -2.110754     -0.185812
  C      -5.826463     -2.411654      0.781919
  N      -5.991586     -2.220080      2.092263
  C      -7.201955     -1.750179      2.490455
  H      -5.358163      4.804679      3.511768
  H      -6.015535      3.162968      3.692844
  H      -6.696921      5.323922      5.714234
  H      -7.627845      4.994471      4.230324
  H      -8.625003      3.659547      6.105240
  H      -7.012969      2.946178      6.439483
  H     -12.192610      2.417660      4.245586
  H     -10.904896      1.843874     -0.165952
  H      -8.631176      1.657566     -1.271211
  H      -6.588517      1.931019      0.122313
  H      -1.377382     -0.862081      5.436111
  H      -3.018314     -1.129081      4.811996
  H      -0.559333     -1.887843      3.561442
  H      -1.121141     -0.498226      2.626378
  H      -3.489400     -1.940477      2.803440
  H      -2.274304     -3.251910      2.773839
  H      -4.610871      1.549315      1.111702
  H      -4.247535      0.767978     -3.461669
  H      -3.082341     -1.052126     -4.780195
  H      -1.846174     -2.833251     -3.547873
  H      -6.473758      0.474836      5.820869
  H      -6.245401      0.693011      7.562248
  H      -4.758434     -1.665239      6.481707
  H      -5.768012     -1.530768      7.935599
  H      -7.823240     -1.551701      6.353267
  H      -6.889893     -3.074624      6.490621
  H     -10.458162     -0.230235      3.704551
  H      -8.796973     -1.301264     -0.495790
  H      -6.582273     -2.278825     -1.241024
  H      -4.857550     -2.815529      0.477317
  N      -5.195376      0.992324      3.469790
  H      -5.630958      1.461578      2.662515
  H      -5.524163      0.022359      3.468103
98
Coordinates from ORCA-job orca E -6478.311454942500
  N      -4.583314      3.621692      5.087594
  Mo     -3.954671      1.744798      4.773586
  N      -4.520743      0.871984      6.415574
  C      -3.643406      1.024806      7.577718
  C      -3.043109      2.428754      7.603092
  N      -2.451021      2.743388      6.277510
  C      -2.406959      4.196460      5.998157
  C      -3.808669      4.704067      5.664818
  C      -1.095032      2.151422      6.090901
  C      -1.045764      1.594633      4.664430
  N      -2.239653      0.783271      4.474510
  H      -3.734148      5.545706      4.951620
  H      -4.303082      5.104661      6.572735
  H      -1.762015      4.326612      5.117393
  H      -1.951122      4.741827      6.843459
  H      -0.127886      1.004753      4.503269
  H      -1.020360      2.430631      3.945199
  H      -0.950926      1.343035      6.820747
  H      -0.317853      2.914747      6.263814
  H      -4.215303      0.870255      8.508715
  H      -2.838548      0.266292      7.561762
  H      -3.844448      3.156780      7.787766
  H      -2.287664      2.528230      8.402500
  C      -5.681283      4.059575      4.223722
  C      -6.934947      4.557642      4.959998
  C      -7.648158      3.388081      5.634586
  O      -7.833698      2.339054      4.654571
  C      -8.946436      2.369196      3.887916
  N     -10.132502      2.492133      4.477451
  C     -11.214724      2.383632      3.678440
  N     -11.247123      2.207742      2.365081
  C     -10.029143      2.130214      1.746602
  C      -9.951867      1.938234      0.350101
  C      -8.704262      1.826459     -0.240669
  C      -7.552516      1.951622      0.556508
  N      -7.571795      2.151014      1.877555
  C      -8.799969      2.212553      2.475844
  C      -2.027486     -0.653803      4.563854
  C      -1.429718     -1.281770      3.273076
  C      -2.435005     -2.167361      2.525892
  O      -2.299326     -2.122565      1.074188
  C      -2.882436     -1.085159      0.455997
  N      -3.425057     -0.109543      1.164333
  C      -4.103962      0.844026      0.490754
  N      -4.279743      0.951156     -0.813098
  C      -3.670334     -0.022766     -1.564994
  C      -3.770829     -0.000508     -2.974183
  C      -3.153862     -1.003534     -3.702000
  C      -2.447775     -2.014424     -3.020075
  N      -2.328897     -2.079712     -1.695547
  C      -2.930030     -1.095663     -0.980229
  C      -5.808696      0.240300      6.664925
  C      -5.734914     -1.287143      6.897095
  C      -6.864230     -2.031043      6.207841
  O      -6.588472     -2.072487      4.786439
  C      -7.520251     -1.640559      3.912889
  N      -8.659706     -1.107572      4.318243
  C      -9.547382     -0.753541      3.355657
  N      -9.432675     -0.932600      2.050667
  C      -8.237161     -1.435366      1.619012
  C      -7.977278     -1.599399      0.236322
  C      -6.755939     -2.125116     -0.152292
  C      -5.796672     -2.444480      0.825764
  N      -5.981356     -2.269264      2.136678
  C      -7.192818     -1.790796      2.522451
  H      -5.335886      4.817923      3.495053
  H      -6.025051      3.192005      3.649913
  H      -6.686727      5.324731      5.711402
  H      -7.608577      5.018126      4.220022
  H      -8.615913      3.667499      6.074286
  H      -7.012928      2.940454      6.410990
  H     -12.183322      2.458570      4.183946
  H     -10.879069      1.848689     -0.217193
  H      -8.599806      1.640330     -1.310292
  H      -6.564741      1.885742      0.090259
  H      -1.355901     -0.865350      5.417700
  H      -2.991989     -1.132599      4.789367
  H      -0.536079     -1.871394      3.525901
  H      -1.100380     -0.473111      2.607441
  H      -3.471577     -1.911688      2.783282
  H      -2.264248     -3.228945      2.745820
  H      -4.589470      1.590363      1.132564
  H      -4.330733      0.807150     -3.447867
  H      -3.205929     -1.022226     -4.791662
  H      -1.956168     -2.810363     -3.588083
  H      -6.471546      0.463010      5.819092
  H      -6.267983      0.708890      7.557210
  H      -4.771680     -1.673063      6.529146
  H      -5.787446     -1.518056      7.972779
  H      -7.839846     -1.556895      6.380297
  H      -6.908987     -3.078370      6.542765
  H     -10.454641     -0.245428      3.705944
  H      -8.744049     -1.305283     -0.480498
  H      -6.520286     -2.281745     -1.206310
  H      -4.826727     -2.849898      0.526015
  N      -5.189093      0.937198      3.523400
  H      -5.646298      1.384764      2.715126
  H      -5.497499     -0.039989      3.543200
98
Coordinates from ORCA-job orca E -6478.315887891239
  N      -4.567658      3.612326      5.049694
  Mo     -3.948734      1.721861      4.790210
  N      -4.524176      0.864859      6.435935
  C      -3.655127      1.020355      7.602616
  C      -3.048196      2.419852      7.622303
  N      -2.444259      2.724237      6.300979
  C      -2.399173      4.174664      6.010746
  C      -3.795011      4.685284      5.650744
  C      -1.091293      2.124751      6.123361
  C      -1.031178      1.584768      4.691774
  N      -2.223565      0.777839      4.477941
  H      -3.699415      5.529565      4.941805
  H      -4.307462      5.088234      6.548006
  H      -1.740436      4.296779      5.138541
  H      -1.953430      4.726424      6.857233
  H      -0.113316      0.995342      4.529326
  H      -0.993981      2.430046      3.982891
  H      -0.962460      1.308807      6.848009
  H      -0.311240      2.881802      6.315380
  H      -4.234984      0.875022      8.530484
  H      -2.854869      0.256977      7.598921
  H      -3.846789      3.154541      7.793932
  H      -2.299695      2.521972      8.428180
  C      -5.656393      4.073646      4.183446
  C      -6.907838      4.571091      4.919588
  C      -7.640428      3.400970      5.577976
  O      -7.826602      2.352050      4.596132
  C      -8.928526      2.386402      3.818189
  N     -10.117939      2.535833      4.378887
  C     -11.181204      2.423708      3.556612
  N     -11.187961      2.217790      2.247755
  C      -9.963829      2.110440      1.658908
  C      -9.857181      1.882226      0.267124
  C      -8.600821      1.740215     -0.290027
  C      -7.470718      1.861894      0.533604
  N      -7.517211      2.090296      1.851362
  C      -8.755915      2.192404      2.414503
  C      -2.021233     -0.663330      4.538237
  C      -1.430027     -1.268491      3.234392
  C      -2.454740     -2.123754      2.478739
  O      -2.325243     -2.057740      1.027939
  C      -2.899336     -0.997416      0.438854
  N      -3.394879     -0.015881      1.177372
  C      -4.065376      0.966328      0.537343
  N      -4.277491      1.095944     -0.759040
  C      -3.722569      0.112894     -1.542243
  C      -3.871746      0.153748     -2.947159
  C      -3.310562     -0.861181     -3.706108
  C      -2.610424     -1.900183     -3.059276
  N      -2.447232     -1.983202     -1.740032
  C      -2.994019     -0.989038     -0.994683
  C      -5.821374      0.251104      6.683939
  C      -5.758875     -1.270601      6.956061
  C      -6.891554     -2.024286      6.283501
  O      -6.606610     -2.109603      4.861153
  C      -7.531045     -1.695326      3.968621
  N      -8.667713     -1.135019      4.355658
  C      -9.542090     -0.783326      3.379974
  N      -9.417181     -0.975591      2.078998
  C      -8.225325     -1.514454      1.665836
  C      -7.955310     -1.698470      0.288652
  C      -6.738535     -2.257471     -0.080891
  C      -5.795343     -2.596296      0.910652
  N      -5.989375     -2.403878      2.216243
  C      -7.195575     -1.886772      2.582668
  H      -5.288074      4.843470      3.476149
  H      -6.005203      3.225220      3.579514
  H      -6.665276      5.326716      5.684390
  H      -7.569132      5.049623      4.177448
  H      -8.608876      3.694317      6.007296
  H      -7.022950      2.937849      6.361031
  H     -12.155044      2.519677      4.037676
  H     -10.768484      1.793857     -0.320864
  H      -8.471820      1.530004     -1.354400
  H      -6.479446      1.769357      0.089005
  H      -1.355389     -0.898767      5.391364
  H      -2.989711     -1.139909      4.754287
  H      -0.541807     -1.872753      3.471937
  H      -1.092230     -0.449637      2.584472
  H      -3.485277     -1.849024      2.744887
  H      -2.308804     -3.194083      2.680559
  H      -4.507759      1.719046      1.201072
  H      -4.424876      0.982279     -3.393288
  H      -3.401602     -0.867932     -4.793662
  H      -2.162494     -2.705201     -3.652867
  H      -6.472369      0.461161      5.825460
  H      -6.288853      0.748329      7.558973
  H      -4.796265     -1.674195      6.603355
  H      -5.814846     -1.474827      8.038585
  H      -7.864803     -1.536887      6.435471
  H      -6.946891     -3.063173      6.648897
  H     -10.447435     -0.257653      3.717420
  H      -8.711668     -1.391567     -0.437424
  H      -6.493650     -2.428582     -1.129357
  H      -4.833193     -3.035645      0.625596
  N      -5.185544      0.881844      3.562096
  H      -5.659484      1.310774      2.749714
  H      -5.477658     -0.101361      3.601984
98
Coordinates from ORCA-job orca E -6478.320581288887
  N      -4.555778      3.619414      5.016248
  Mo     -3.951339      1.719820      4.805032
  N      -4.535847      0.867264      6.448225
  C      -3.676300      1.015213      7.621275
  C      -3.060799      2.410936      7.642206
  N      -2.444952      2.712483      6.326978
  C      -2.397661      4.161171      6.033741
  C      -3.785161      4.677932      5.649469
  C      -1.096677      2.106488      6.153848
  C      -1.026628      1.590947      4.713538
  N      -2.218835      0.792915      4.473342
  H      -3.666910      5.529208      4.951326
  H      -4.315111      5.078013      6.537344
  H      -1.725452      4.281494      5.171813
  H      -1.962957      4.715144      6.884462
  H      -0.109819      1.000815      4.548279
  H      -0.976385      2.448326      4.019187
  H      -0.983472      1.277807      6.866792
  H      -0.313122      2.854519      6.369325
  H      -4.262780      0.873608      8.545485
  H      -2.881444      0.246701      7.624227
  H      -3.856459      3.150921      7.805223
  H      -2.319241      2.510748      8.455068
  C      -5.639928      4.112952      4.159531
  C      -6.878994      4.596187      4.928615
  C      -7.602974      3.417651      5.581158
  O      -7.805392      2.369017      4.603358
  C      -8.937787      2.401360      3.865965
  N     -10.113178      2.538343      4.471254
  C     -11.210509      2.419487      3.690994
  N     -11.260595      2.216464      2.384563
  C     -10.052601      2.123079      1.749604
  C      -9.997564      1.906730      0.355747
  C      -8.755215      1.787229     -0.246082
  C      -7.590970      1.906318      0.537378
  N      -7.589840      2.117249      1.855763
  C      -8.813506      2.210436      2.458632
  C      -2.014787     -0.649329      4.515581
  C      -1.408812     -1.246134      3.216371
  C      -2.408930     -2.116888      2.450632
  O      -2.251936     -2.058117      1.002751
  C      -2.854741     -1.027316      0.393583
  N      -3.407253     -0.063786      1.112193
  C      -4.104737      0.881055      0.448522
  N      -4.291702      0.989066     -0.851934
  C      -3.682617      0.024389     -1.614914
  C      -3.805441      0.043373     -3.022125
  C      -3.189495     -0.954924     -3.756280
  C      -2.462507     -1.954956     -3.082938
  N      -2.323726     -2.015926     -1.762167
  C      -2.923685     -1.038296     -1.040168
  C      -5.841036      0.263082      6.681600
  C      -5.792094     -1.254738      6.958726
  C      -6.923444     -1.999312      6.275033
  O      -6.628574     -2.082331      4.854445
  C      -7.548524     -1.677127      3.950489
  N      -8.698119     -1.139463      4.321991
  C      -9.559926     -0.795916      3.333929
  N      -9.409907     -0.969019      2.031233
  C      -8.208087     -1.490101      1.635071
  C      -7.913991     -1.660782      0.258170
  C      -6.686458     -2.200235     -0.096491
  C      -5.762235     -2.539197      0.910214
  N      -5.980484     -2.363331      2.217943
  C      -7.194225     -1.860360      2.568655
  H      -5.258368      4.903368      3.481791
  H      -5.992228      3.290357      3.516846
  H      -6.627037      5.332666      5.710207
  H      -7.549391      5.095232      4.208122
  H      -8.563426      3.710857      6.028307
  H      -6.974719      2.949420      6.350265
  H     -12.172083      2.501618      4.209678
  H     -10.933410      1.817252     -0.199459
  H      -8.662907      1.596908     -1.315437
  H      -6.612445      1.829705      0.054206
  H      -1.356423     -0.887784      5.372946
  H      -2.980584     -1.134257      4.725229
  H      -0.517982     -1.841499      3.461432
  H      -1.071647     -0.423404      2.572558
  H      -3.447902     -1.857285      2.694015
  H      -2.251406     -3.180596      2.664336
  H      -4.600464      1.617828      1.092177
  H      -4.382575      0.841345     -3.488851
  H      -3.258339     -0.978327     -4.843961
  H      -1.971516     -2.745603     -3.655385
  H      -6.475747      0.471507      5.811339
  H      -6.320194      0.769428      7.544222
  H      -4.829230     -1.665105      6.615999
  H      -5.856142     -1.458261      8.039040
  H      -7.895679     -1.509288      6.417753
  H      -6.986269     -3.036776      6.634505
  H     -10.477644     -0.302937      3.661363
  H      -8.659452     -1.361016     -0.478294
  H      -6.419279     -2.359783     -1.144150
  H      -4.796908     -2.971321      0.635164
  N      -5.200730      0.859723      3.585997
  H      -5.684416      1.279786      2.773807
  H      -5.480505     -0.125221      3.640447
98
Coordinates from ORCA-job orca E -6478.324371304115
  N      -4.546297      3.618047      4.985221
  Mo     -3.949789      1.714807      4.827128
  N      -4.538646      0.861200      6.469643
  C      -3.684619      1.008546      7.647614
  C      -3.072075      2.404596      7.671097
  N      -2.450773      2.705318      6.358059
  C      -2.409559      4.153101      6.060355
  C      -3.789395      4.665893      5.653885
  C      -1.102802      2.098767      6.187680
  C      -1.017195      1.605004      4.740022
  N      -2.207862      0.810703      4.473616
  H      -3.654871      5.525308      4.969630
  H      -4.339915      5.056725      6.533344
  H      -1.726260      4.276343      5.207774
  H      -1.989761      4.713204      6.915478
  H      -0.097733      1.017968      4.574619
  H      -0.957751      2.472802      4.059779
  H      -1.001993      1.257812      6.888003
  H      -0.318788      2.840138      6.425655
  H      -4.273956      0.865349      8.570050
  H      -2.887380      0.241951      7.653813
  H      -3.869630      3.143362      7.830544
  H      -2.334907      2.507296      8.488444
  C      -5.622895      4.133572      4.129862
  C      -6.862656      4.595181      4.908447
  C      -7.578216      3.404929      5.541274
  O      -7.775356      2.368925      4.549350
  C      -8.906708      2.391809      3.808985
  N     -10.081179      2.541104      4.408611
  C     -11.175252      2.419134      3.625364
  N     -11.220972      2.201738      2.319448
  C     -10.012624      2.095468      1.687671
  C      -9.948676      1.871689      0.294596
  C      -8.704322      1.744320     -0.299989
  C      -7.546836      1.856376      0.487541
  N      -7.553698      2.071878      1.804836
  C      -8.778961      2.181983      2.401402
  C      -2.007511     -0.634476      4.495123
  C      -1.408653     -1.229540      3.192100
  C      -2.415271     -2.098480      2.433812
  O      -2.258684     -2.043008      0.985490
  C      -2.864678     -1.010581      0.380414
  N      -3.395506     -0.039261      1.105874
  C      -4.090669      0.918003      0.451858
  N      -4.292544      1.029332     -0.848495
  C      -3.706969      0.052720     -1.619708
  C      -3.847721      0.072619     -3.025870
  C      -3.254082     -0.937035     -3.768370
  C      -2.530126     -1.950916     -3.104194
  N      -2.374887     -2.012879     -1.784198
  C      -2.953760     -1.023399     -1.053446
  C      -5.845893      0.257144      6.701081
  C      -5.788497     -1.260150      6.976989
  C      -6.915326     -2.014537      6.296550
  O      -6.622087     -2.080957      4.880294
  C      -7.551741     -1.683051      3.990951
  N      -8.702700     -1.169655      4.375894
  C      -9.576865     -0.833103      3.398922
  N      -9.430726     -0.992212      2.095362
  C      -8.230830     -1.492678      1.687039
  C      -7.948294     -1.653022      0.309373
  C      -6.719052     -2.165339     -0.060331
  C      -5.785619     -2.491772      0.934417
  N      -5.996226     -2.332186      2.244089
  C      -7.209663     -1.852587      2.608896
  H      -5.230751      4.943897      3.484734
  H      -5.962566      3.336798      3.454684
  H      -6.616397      5.313653      5.707996
  H      -7.533846      5.110498      4.200593
  H      -8.538295      3.686087      5.994902
  H      -6.944624      2.932490      6.303889
  H     -12.136523      2.512271      4.142175
  H     -10.878730      1.786922     -0.264372
  H      -8.602572      1.553866     -1.368569
  H      -6.567954      1.771436      0.006537
  H      -1.349631     -0.884929      5.349353
  H      -2.974603     -1.117271      4.705555
  H      -0.517003     -1.828528      3.430846
  H      -1.073419     -0.406677      2.547534
  H      -3.451997     -1.827164      2.680410
  H      -2.267048     -3.164478      2.652490
  H      -4.566679      1.665117      1.101911
  H      -4.421227      0.881013     -3.485965
  H      -3.337850     -0.959822     -4.856473
  H      -2.055956     -2.751616     -3.684171
  H      -6.476086      0.459772      5.826763
  H      -6.331389      0.763408      7.557623
  H      -4.824910     -1.661501      6.629212
  H      -5.844414     -1.466313      8.056067
  H      -7.892580     -1.538601      6.443413
  H      -6.966366     -3.053512      6.646376
  H     -10.500244     -0.358197      3.736675
  H      -8.703516     -1.366150     -0.416399
  H      -6.456992     -2.312987     -1.110063
  H      -4.817183     -2.903242      0.645475
  N      -5.200789      0.839159      3.611652
  H      -5.691908      1.256453      2.807392
  H      -5.467775     -0.146885      3.668230
98
Coordinates from ORCA-job orca E -6478.327764845588
  N      -4.526182      3.605596      4.948410
  Mo     -3.941416      1.699566      4.854445
  N      -4.544497      0.854105      6.499575
  C      -3.701075      1.005581      7.685650
  C      -3.086368      2.401335      7.702725
  N      -2.456301      2.691424      6.391472
  C      -2.416023      4.137332      6.081468
  C      -3.786206      4.646926      5.647720
  C      -1.109076      2.080986      6.230288
  C      -1.005673      1.604035      4.777057
  N      -2.194568      0.815725      4.482952
  H      -3.634664      5.511564      4.974296
  H      -4.358903      5.032308      6.515245
  H      -1.719096      4.258809      5.239589
  H      -2.013204      4.707693      6.938693
  H      -0.084283      1.018590      4.615671
  H      -0.936549      2.480186      4.109956
  H      -1.023047      1.229623      6.919402
  H      -0.324342      2.814205      6.488964
  H      -4.296558      0.870297      8.605234
  H      -2.904800      0.237544      7.703662
  H      -3.884955      3.141998      7.851506
  H      -2.355092      2.510644      8.525143
  C      -5.594638      4.136663      4.092605
  C      -6.840726      4.582910      4.873748
  C      -7.554236      3.395914      5.506742
  O      -7.744461      2.366815      4.513803
  C      -8.876202      2.397559      3.773688
  N     -10.042406      2.584783      4.370405
  C     -11.142600      2.483937      3.590785
  N     -11.200778      2.252318      2.288514
  C      -9.999786      2.106040      1.657030
  C      -9.947818      1.868363      0.264741
  C      -8.711848      1.704647     -0.329668
  C      -7.548170      1.790829      0.458011
  N      -7.546127      2.015986      1.773134
  C      -8.762325      2.166435      2.369268
  C      -1.988541     -0.629558      4.477649
  C      -1.398797     -1.198942      3.159322
  C      -2.402524     -2.065781      2.393064
  O      -2.261012     -1.990260      0.943467
  C      -2.884430     -0.965513      0.349494
  N      -3.406423     -0.005815      1.080561
  C      -4.109142      0.946806      0.435746
  N      -4.325157      1.061688     -0.862456
  C      -3.751961      0.095735     -1.639611
  C      -3.909917      0.120341     -3.042678
  C      -3.327630     -0.878172     -3.792499
  C      -2.596750     -1.887824     -3.138633
  N      -2.425128     -1.953330     -1.821281
  C      -2.993346     -0.973565     -1.082726
  C      -5.858505      0.258841      6.727697
  C      -5.820491     -1.256745      7.028728
  C      -6.949356     -2.006170      6.345447
  O      -6.637559     -2.097358      4.929725
  C      -7.549871     -1.703381      4.020772
  N      -8.703594     -1.168579      4.384890
  C      -9.563403     -0.828845      3.391301
  N      -9.399625     -0.999362      2.089890
  C      -8.197623     -1.526035      1.701823
  C      -7.900465     -1.703617      0.329955
  C      -6.672008     -2.242212     -0.018060
  C      -5.755006     -2.580081      0.991820
  N      -5.979346     -2.405764      2.296652
  C      -7.192149     -1.897288      2.641989
  H      -5.195314      4.962716      3.474990
  H      -5.919810      3.356693      3.395525
  H      -6.594038      5.295879      5.675893
  H      -7.517417      5.099889      4.176437
  H      -8.518200      3.671499      5.954828
  H      -6.920574      2.933976      6.273208
  H     -12.095877      2.610325      4.108231
  H     -10.881514      1.803708     -0.294259
  H      -8.619531      1.505723     -1.399557
  H      -6.572857      1.674713     -0.020781
  H      -1.325990     -0.891043      5.324862
  H      -2.950636     -1.122763      4.685738
  H      -0.500487     -1.796576      3.377440
  H      -1.078694     -0.359962      2.527852
  H      -3.437417     -1.807490      2.648788
  H      -2.242408     -3.130325      2.601791
  H      -4.572541      1.688244      1.087906
  H      -4.487845      0.924154     -3.494638
  H      -3.425414     -0.896703     -4.878947
  H      -2.130858     -2.681130     -3.724449
  H      -6.473919      0.448500      5.839500
  H      -6.353669      0.783046      7.568300
  H      -4.858745     -1.676824      6.692960
  H      -5.887879     -1.446857      8.112607
  H      -7.920828     -1.509364      6.474267
  H      -7.021685     -3.042329      6.710039
  H     -10.494462     -0.337742      3.715269
  H      -8.645574     -1.408965     -0.409336
  H      -6.399366     -2.402609     -1.061534
  H      -4.788580     -3.014045      0.718336
  N      -5.188032      0.814785      3.636344
  H      -5.678836      1.230532      2.837143
  H      -5.442952     -0.171833      3.696513
98
Coordinates from ORCA-job orca E -6478.330980328384
  N      -4.505225      3.591658      4.908952
  Mo     -3.937394      1.684901      4.873600
  N      -4.551582      0.850936      6.524276
  C      -3.714298      1.004636      7.714236
  C      -3.093123      2.397471      7.722105
  N      -2.460479      2.674667      6.410438
  C      -2.416961      4.117463      6.089873
  C      -3.781068      4.625943      5.636819
  C      -1.116889      2.058305      6.255888
  C      -0.999584      1.597294      4.799444
  N      -2.187148      0.818129      4.480338
  H      -3.617790      5.498398      4.976787
  H      -4.371327      5.001348      6.496233
  H      -1.709585      4.235350      5.256664
  H      -2.026681      4.694923      6.947416
  H      -0.078557      1.011655      4.642766
  H      -0.920690      2.479727      4.143373
  H      -1.046293      1.197082      6.933603
  H      -0.329702      2.781121      6.532411
  H      -4.312905      0.878825      8.632632
  H      -2.922072      0.233403      7.740686
  H      -3.889391      3.141863      7.863585
  H      -2.363999      2.511550      8.544811
  C      -5.567112      4.132541      4.057295
  C      -6.810382      4.572595      4.844266
  C      -7.523974      3.385250      5.480425
  O      -7.728073      2.360497      4.485734
  C      -8.866389      2.392441      3.760178
  N     -10.028809      2.601514      4.363163
  C     -11.134136      2.510450      3.589915
  N     -11.199405      2.268994      2.289402
  C     -10.001081      2.100217      1.652027
  C      -9.957058      1.856221      0.260092
  C      -8.723841      1.674443     -0.339044
  C      -7.553455      1.746271      0.443293
  N      -7.543395      1.975853      1.758109
  C      -8.759268      2.146307      2.356747
  C      -1.986979     -0.626801      4.452758
  C      -1.394681     -1.177599      3.127963
  C      -2.403953     -2.036961      2.359716
  O      -2.262498     -1.956742      0.911291
  C      -2.890890     -0.929869      0.322102
  N      -3.408190      0.039917      1.057074
  C      -4.109391      1.002951      0.418549
  N      -4.330462      1.116833     -0.878711
  C      -3.766555      0.138981     -1.661345
  C      -3.932862      0.161787     -3.065058
  C      -3.359685     -0.847112     -3.820196
  C      -2.629856     -1.866736     -3.171066
  N      -2.451269     -1.930704     -1.854889
  C      -3.009480     -0.940611     -1.110746
  C      -5.870792      0.269356      6.752205
  C      -5.849746     -1.242908      7.068143
  C      -6.985497     -1.986498      6.389245
  O      -6.669462     -2.091666      4.973158
  C      -7.570679     -1.709230      4.046208
  N      -8.734678     -1.173011      4.382602
  C      -9.576409     -0.842677      3.368890
  N      -9.388178     -1.020344      2.072421
  C      -8.176567     -1.549879      1.711276
  C      -7.852077     -1.736100      0.344762
  C      -6.614264     -2.277946      0.026051
  C      -5.717140     -2.612766      1.059652
  N      -5.968963     -2.430252      2.358285
  C      -7.188877     -1.916174      2.675077
  H      -5.163930      4.971711      3.460714
  H      -5.884624      3.361865      3.344955
  H      -6.557382      5.280719      5.647981
  H      -7.490426      5.096906      4.155960
  H      -8.483901      3.667583      5.936365
  H      -6.884632      2.917773      6.241466
  H     -12.084726      2.654870      4.112519
  H     -10.894745      1.802555     -0.295255
  H      -8.637288      1.472723     -1.409346
  H      -6.581725      1.612800     -0.039325
  H      -1.327741     -0.905867      5.297181
  H      -2.952300     -1.119113      4.650580
  H      -0.494615     -1.774849      3.336941
  H      -1.078351     -0.331774      2.503065
  H      -3.435864     -1.766936      2.620914
  H      -2.254914     -3.105717      2.563629
  H      -4.562946      1.756637      1.073864
  H      -4.509527      0.973110     -3.513045
  H      -3.464303     -0.866792     -4.906199
  H      -2.171596     -2.669069     -3.760390
  H      -6.476053      0.452620      5.855732
  H      -6.369736      0.806273      7.582884
  H      -4.893313     -1.676518      6.734789
  H      -5.919195     -1.422069      8.153965
  H      -7.952526     -1.480311      6.512633
  H      -7.067510     -3.020260      6.762813
  H     -10.516940     -0.360975      3.671106
  H      -8.584004     -1.446128     -0.414636
  H      -6.320573     -2.444112     -1.011568
  H      -4.743514     -3.049972      0.810801
  N      -5.188134      0.795014      3.651073
  H      -5.686948      1.211133      2.854671
  H      -5.433527     -0.195005      3.714454
98
Coordinates from ORCA-job orca E -6478.333705430335
  N      -4.482441      3.582438      4.872729
  Mo     -3.930701      1.675148      4.896641
  N      -4.559327      0.845597      6.548183
  C      -3.732969      1.003995      7.745801
  C      -3.110916      2.396588      7.751022
  N      -2.471275      2.664629      6.440846
  C      -2.423400      4.105244      6.111434
  C      -3.780088      4.610310      5.634507
  C      -1.128601      2.044768      6.297499
  C      -0.990775      1.601674      4.837517
  N      -2.174829      0.828592      4.486885
  H      -3.606114      5.494013      4.991120
  H      -4.392218      4.970624      6.485249
  H      -1.701749      4.220930      5.289908
  H      -2.049161      4.688954      6.972033
  H      -0.068223      1.016412      4.689828
  H      -0.899689      2.492283      4.192743
  H      -1.073963      1.172276      6.963237
  H      -0.340873      2.759105      6.597259
  H      -4.338751      0.882072      8.660343
  H      -2.940562      0.233291      7.782610
  H      -3.908259      3.141873      7.883724
  H      -2.386198      2.516321      8.577330
  C      -5.538849      4.135461      4.021634
  C      -6.784591      4.572248      4.808965
  C      -7.502534      3.387701      5.450248
  O      -7.715720      2.364712      4.455546
  C      -8.856976      2.394048      3.737785
  N     -10.018277      2.622902      4.336731
  C     -11.127025      2.531273      3.563530
  N     -11.195718      2.276440      2.266257
  C      -9.997443      2.088119      1.633012
  C      -9.954530      1.835750      0.241748
  C      -8.722025      1.638117     -0.353459
  C      -7.550324      1.698581      0.432017
  N      -7.539828      1.936856      1.745044
  C      -8.754495      2.126621      2.338544
  C      -1.972075     -0.615708      4.438757
  C      -1.383444     -1.150586      3.106697
  C      -2.392936     -2.013390      2.344116
  O      -2.258510     -1.933566      0.895689
  C      -2.892407     -0.909975      0.308268
  N      -3.400356      0.065528      1.042182
  C      -4.098120      1.030433      0.403229
  N      -4.326104      1.139014     -0.893338
  C      -3.775617      0.152906     -1.673944
  C      -3.953122      0.168553     -3.076577
  C      -3.394662     -0.848722     -3.829993
  C      -2.667861     -1.869740     -3.180178
  N      -2.478795     -1.926792     -1.865458
  C      -3.022703     -0.928409     -1.123254
  C      -5.877347      0.259559      6.766558
  C      -5.847861     -1.251375      7.082191
  C      -6.976312     -1.996380      6.393274
  O      -6.654252     -2.087069      4.979677
  C      -7.560831     -1.706994      4.060644
  N      -8.724769     -1.186968      4.409913
  C      -9.577100     -0.864134      3.406848
  N      -9.399344     -1.038219      2.110934
  C      -8.189557     -1.553317      1.735987
  C      -7.879211     -1.739926      0.368875
  C      -6.640317     -2.261706      0.034361
  C      -5.729998     -2.579151      1.054773
  N      -5.971032     -2.401212      2.354178
  C      -7.190860     -1.904979      2.686287
  H      -5.131007      4.987814      3.445230
  H      -5.850935      3.374231      3.293488
  H      -6.523895      5.281084      5.611408
  H      -7.468248      5.101440      4.125514
  H      -8.460268      3.675412      5.908123
  H      -6.862168      2.919100      6.210658
  H     -12.077140      2.692596      4.083620
  H     -10.892463      1.791156     -0.316282
  H      -8.636267      1.433596     -1.423151
  H      -6.578026      1.551482     -0.045763
  H      -1.310046     -0.904829      5.277759
  H      -2.935744     -1.113283      4.633390
  H      -0.476794     -1.741833      3.303896
  H      -1.080887     -0.297738      2.484674
  H      -3.423440     -1.743746      2.611983
  H      -2.240739     -3.081475      2.548574
  H      -4.545520      1.789505      1.056504
  H      -4.526757      0.981436     -3.525023
  H      -3.508353     -0.874030     -4.915022
  H      -2.221501     -2.678845     -3.767751
  H      -6.472352      0.432552      5.860573
  H      -6.389648      0.795930      7.589225
  H      -4.887937     -1.677258      6.749650
  H      -5.919255     -1.434499      8.165764
  H      -7.946401     -1.495968      6.514494
  H      -7.055593     -3.031725      6.756802
  H     -10.516152     -0.393232      3.719719
  H      -8.621856     -1.467853     -0.377540
  H      -6.355367     -2.424695     -1.005450
  H      -4.754290     -2.998871      0.793888
  N      -5.174322      0.786426      3.662241
  H      -5.676940      1.206255      2.868148
  H      -5.411478     -0.207468      3.719163
98
Coordinates from ORCA-job orca E -6478.335800299743
  N      -4.468913      3.566821      4.840233
  Mo     -3.932343      1.660914      4.919593
  N      -4.567678      0.840226      6.576748
  C      -3.744222      1.007258      7.776445
  C      -3.121956      2.400121      7.771688
  N      -2.485304      2.657710      6.457316
  C      -2.437037      4.096440      6.117658
  C      -3.789652      4.591919      5.628525
  C      -1.142103      2.037794      6.316428
  C      -0.992327      1.609001      4.854441
  N      -2.172376      0.837179      4.482963
  H      -3.616946      5.487156      5.001304
  H      -4.416820      4.932960      6.476335
  H      -1.708066      4.210383      5.303118
  H      -2.074149      4.687929      6.978115
  H      -0.066879      1.026101      4.711335
  H      -0.896946      2.505208      4.217689
  H      -1.094686      1.156514      6.971472
  H      -0.354992      2.746737      6.631423
  H      -4.351754      0.892020      8.690826
  H      -2.951604      0.236900      7.820903
  H      -3.919996      3.145455      7.899600
  H      -2.395873      2.528367      8.595668
  C      -5.528861      4.123514      3.996003
  C      -6.773660      4.548836      4.791706
  C      -7.476395      3.359122      5.437350
  O      -7.700462      2.343440      4.435707
  C      -8.848627      2.382447      3.734771
  N      -9.993201      2.641844      4.348474
  C     -11.108140      2.580248      3.590488
  N     -11.197623      2.333165      2.294503
  C     -10.015031      2.113336      1.646454
  C      -9.988589      1.876158      0.255632
  C      -8.771886      1.650095     -0.355135
  C      -7.598123      1.664380      0.414245
  N      -7.571950      1.890204      1.724948
  C      -8.770207      2.110778      2.334126
  C      -1.959633     -0.605483      4.413834
  C      -1.370683     -1.121832      3.074235
  C      -2.366841     -2.000017      2.313039
  O      -2.232573     -1.922538      0.864404
  C      -2.883105     -0.912623      0.273962
  N      -3.408385      0.054731      1.004137
  C      -4.115892      1.007854      0.359366
  N      -4.338337      1.111728     -0.939147
  C      -3.772187      0.131309     -1.713529
  C      -3.943674      0.141273     -3.116480
  C      -3.369039     -0.869254     -3.865006
  C      -2.632840     -1.878802     -3.209684
  N      -2.449080     -1.930814     -1.893963
  C      -3.008628     -0.937915     -1.157271
  C      -5.888115      0.255677      6.788850
  C      -5.870259     -1.255193      7.110364
  C      -7.003431     -1.996058      6.421784
  O      -6.679465     -2.087949      5.009736
  C      -7.578658     -1.710749      4.085437
  N      -8.748079     -1.196666      4.420377
  C      -9.588102     -0.870123      3.405462
  N      -9.392387     -1.033468      2.109117
  C      -8.176429     -1.543098      1.749737
  C      -7.845566     -1.716524      0.382976
  C      -6.600894     -2.228259      0.063089
  C      -5.703549     -2.551650      1.098682
  N      -5.964543     -2.387991      2.397990
  C      -7.190516     -1.899453      2.715186
  H      -5.130196      4.988448      3.433004
  H      -5.835983      3.369521      3.259121
  H      -6.503890      5.259305      5.591599
  H      -7.469638      5.076712      4.118757
  H      -8.428833      3.638346      5.908044
  H      -6.823284      2.891243      6.187245
  H     -12.044472      2.767455      4.123848
  H     -10.926218      1.868847     -0.289504
  H      -8.699876      1.458803     -1.424031
  H      -6.635703      1.494992     -0.073916
  H      -1.292303     -0.898729      5.246501
  H      -2.917803     -1.114267      4.606103
  H      -0.451993     -1.697476      3.261185
  H      -1.090170     -0.260115      2.455308
  H      -3.400593     -1.743072      2.579800
  H      -2.198933     -3.063896      2.521024
  H      -4.579762      1.761399      1.008856
  H      -4.525610      0.945688     -3.569152
  H      -3.477381     -0.898120     -4.950492
  H      -2.174011     -2.682633     -3.793548
  H      -6.472913      0.423745      5.875427
  H      -6.406928      0.796943      7.604006
  H      -4.913725     -1.687954      6.778167
  H      -5.943638     -1.433932      8.194208
  H      -7.970221     -1.491266      6.542145
  H      -7.089109     -3.030458      6.783120
  H     -10.531329     -0.399558      3.705021
  H      -8.578260     -1.440395     -0.376571
  H      -6.300472     -2.378951     -0.977230
  H      -4.722366     -2.962699      0.849490
  N      -5.172149      0.775854      3.683397
  H      -5.684842      1.198837      2.896752
  H      -5.397835     -0.221096      3.731780
98
Coordinates from ORCA-job orca E -6478.337928379887
  N      -4.433282      3.554673      4.809506
  Mo     -3.921608      1.646616      4.949544
  N      -4.576819      0.841037      6.610780
  C      -3.763533      1.015222      7.816340
  C      -3.132861      2.404551      7.802083
  N      -2.490058      2.645827      6.487230
  C      -2.431490      4.082400      6.135165
  C      -3.777069      4.576055      5.624620
  C      -1.149312      2.016657      6.359483
  C      -0.982211      1.597725      4.897628
  N      -2.160486      0.834894      4.499755
  H      -3.598721      5.481127      5.012722
  H      -4.422386      4.901681      6.464975
  H      -1.689969      4.188681      5.331202
  H      -2.080614      4.680253      6.996024
  H      -0.057831      1.010768      4.765753
  H      -0.873200      2.496809      4.267427
  H      -1.118736      1.128617      7.006491
  H      -0.360598      2.715391      6.692827
  H      -4.379578      0.911552      8.726483
  H      -2.975575      0.241111      7.875242
  H      -3.928092      3.154915      7.918457
  H      -2.409286      2.538249      8.627244
  C      -5.488664      4.114145      3.960977
  C      -6.739654      4.547411      4.742757
  C      -7.447923      3.366750      5.396716
  O      -7.672754      2.354761      4.392623
  C      -8.821892      2.390898      3.696848
  N      -9.968196      2.664694      4.305074
  C     -11.088060      2.593807      3.546091
  N     -11.183548      2.319374      2.255572
  C      -9.998535      2.085327      1.612098
  C      -9.978939      1.823147      0.222300
  C      -8.759792      1.593187     -0.387097
  C      -7.576244      1.625563      0.383634
  N      -7.545576      1.871485      1.692790
  C      -8.746146      2.096289      2.299593
  C      -1.951838     -0.607419      4.405431
  C      -1.368993     -1.097705      3.052860
  C      -2.372137     -1.969149      2.291694
  O      -2.248910     -1.886895      0.842428
  C      -2.899992     -0.871881      0.261158
  N      -3.407061      0.099471      0.999239
  C      -4.109251      1.062278      0.363555
  N      -4.344677      1.172540     -0.931971
  C      -3.803281      0.184939     -1.713087
  C      -3.994918      0.198808     -3.113312
  C      -3.447304     -0.819834     -3.869968
  C      -2.717502     -1.840658     -3.225231
  N      -2.514310     -1.896063     -1.912313
  C      -3.047173     -0.895343     -1.168121
  C      -5.897601      0.255633      6.812271
  C      -5.880533     -1.254202      7.139818
  C      -7.009860     -1.994297      6.444172
  O      -6.674831     -2.088440      5.033187
  C      -7.571385     -1.716347      4.103282
  N      -8.743896     -1.203530      4.435599
  C      -9.585185     -0.884705      3.419979
  N      -9.390346     -1.056000      2.125315
  C      -8.172221     -1.566688      1.767319
  C      -7.843975     -1.754414      0.403311
  C      -6.597150     -2.265947      0.084523
  C      -5.694230     -2.575565      1.118715
  N      -5.954396     -2.401726      2.415424
  C      -7.182614     -1.913256      2.732158
  H      -5.087717      4.983377      3.405364
  H      -5.791776      3.361151      3.222069
  H      -6.471078      5.268774      5.531519
  H      -7.432608      5.066907      4.061772
  H      -8.400396      3.652509      5.861330
  H      -6.801139      2.896779      6.149969
  H     -12.027013      2.790456      4.075683
  H     -10.924974      1.802991     -0.324329
  H      -8.693388      1.386980     -1.456483
  H      -6.610226      1.454422     -0.100780
  H      -1.284056     -0.919653      5.231433
  H      -2.911577     -1.117338      4.588381
  H      -0.444148     -1.669504      3.221794
  H      -1.102552     -0.224110      2.443758
  H      -3.402042     -1.706048      2.567123
  H      -2.209551     -3.035816      2.494104
  H      -4.551784      1.821914      1.017316
  H      -4.570786      1.012281     -3.557071
  H      -3.572108     -0.846682     -4.953554
  H      -2.280752     -2.651580     -3.815955
  H      -6.470218      0.415850      5.889782
  H      -6.428569      0.800015      7.617594
  H      -4.921740     -1.687476      6.813434
  H      -5.960582     -1.430378      8.223826
  H      -7.976718     -1.486440      6.556608
  H      -7.100758     -3.028903      6.806852
  H     -10.531414     -0.423307      3.720442
  H      -8.581385     -1.489829     -0.355007
  H      -6.299619     -2.426639     -0.953086
  H      -4.710996     -2.986352      0.871602
  N      -5.156812      0.767016      3.705398
  H      -5.677083      1.191394      2.925779
  H      -5.376333     -0.231709      3.744184
98
Coordinates from ORCA-job orca E -6478.339609657494
  N      -4.406972      3.554118      4.790706
  Mo     -3.914565      1.645136      4.970730
  N      -4.587064      0.845071      6.630825
  C      -3.786912      1.022333      7.843791
  C      -3.150776      2.409435      7.827613
  N      -2.500934      2.643349      6.514774
  C      -2.435950      4.079271      6.159971
  C      -3.777508      4.569088      5.634912
  C      -1.162143      2.009188      6.399036
  C      -0.975223      1.602967      4.936573
  N      -2.150066      0.847876      4.512472
  H      -3.600588      5.487960      5.043711
  H      -4.438900      4.869991      6.471428
  H      -1.684730      4.184496      5.365576
  H      -2.096891      4.678436      7.024036
  H      -0.051767      1.013126      4.816316
  H      -0.852598      2.505354      4.313689
  H      -1.147051      1.113228      7.035532
  H      -0.374257      2.698562      6.753444
  H      -4.412925      0.925038      8.747864
  H      -3.002558      0.246003      7.915320
  H      -3.944914      3.161866      7.935804
  H      -2.430896      2.545203      8.655187
  C      -5.461271      4.112338      3.943194
  C      -6.714177      4.546912      4.723085
  C      -7.424661      3.372231      5.386905
  O      -7.665182      2.360778      4.384355
  C      -8.821105      2.405756      3.701992
  N      -9.957760      2.706737      4.314108
  C     -11.082048      2.649829      3.562017
  N     -11.188506      2.368377      2.274460
  C     -10.012403      2.106113      1.626951
  C     -10.004776      1.834983      0.238545
  C      -8.794565      1.576293     -0.374663
  C      -7.608207      1.590911      0.390995
  N      -7.566100      1.845143      1.698828
  C      -8.759012      2.096203      2.307759
  C      -1.941018     -0.592591      4.396077
  C      -1.359208     -1.060478      3.035313
  C      -2.357054     -1.940768      2.279364
  O      -2.235397     -1.865955      0.830291
  C      -2.893539     -0.858406      0.243223
  N      -3.404451      0.117386      0.975099
  C      -4.110604      1.073698      0.333164
  N      -4.348126      1.173068     -0.961917
  C      -3.806966      0.179073     -1.736908
  C      -4.005073      0.179188     -3.136460
  C      -3.458937     -0.846892     -3.885211
  C      -2.723711     -1.860174     -3.233645
  N      -2.514556     -1.902187     -1.922112
  C      -3.046055     -0.894931     -1.185254
  C      -5.903786      0.248887      6.815629
  C      -5.877621     -1.260791      7.137526
  C      -7.000401     -2.002263      6.432852
  O      -6.660041     -2.091468      5.022391
  C      -7.557428     -1.722516      4.090999
  N      -8.729933     -1.209774      4.425407
  C      -9.574385     -0.897268      3.413115
  N      -9.386489     -1.076057      2.120408
  C      -8.169476     -1.587751      1.759543
  C      -7.849539     -1.785491      0.396833
  C      -6.603005     -2.295631      0.073807
  C      -5.692732     -2.592737      1.102784
  N      -5.945806     -2.410415      2.398023
  C      -7.173596     -1.924437      2.719173
  H      -5.062837      4.987781      3.394811
  H      -5.758773      3.361301      3.199701
  H      -6.445765      5.276584      5.503220
  H      -7.407612      5.059312      4.038031
  H      -8.372943      3.668335      5.855621
  H      -6.778304      2.895474      6.136243
  H     -12.012388      2.871256      4.093494
  H     -10.952046      1.831033     -0.304096
  H      -8.737939      1.360563     -1.443908
  H      -6.649662      1.398076     -0.095439
  H      -1.273110     -0.918267      5.216328
  H      -2.900613     -1.105767      4.570644
  H      -0.424243     -1.618048      3.191352
  H      -1.114226     -0.177747      2.431252
  H      -3.387614     -1.679912      2.554610
  H      -2.190010     -3.005632      2.487053
  H      -4.553899      1.837922      0.980046
  H      -4.584484      0.987684     -3.585007
  H      -3.588254     -0.884795     -4.967457
  H      -2.287921     -2.676429     -3.817570
  H      -6.465238      0.404671      5.885731
  H      -6.450071      0.786060      7.614898
  H      -4.915021     -1.686466      6.813264
  H      -5.961427     -1.441672      8.219647
  H      -7.969802     -1.498310      6.542197
  H      -7.089176     -3.038324      6.792119
  H     -10.518890     -0.431795      3.716109
  H      -8.592450     -1.529156     -0.357259
  H      -6.311460     -2.462889     -0.962763
  H      -4.709408     -3.001070      0.853324
  N      -5.146755      0.772587      3.707529
  H      -5.676066      1.201569      2.937555
  H      -5.353405     -0.229637      3.726613
98
Coordinates from ORCA-job orca E -6478.341126318937
  N      -4.367663      3.547293      4.761537
  Mo     -3.905219      1.632498      4.994731
  N      -4.598012      0.853593      6.658638
  C      -3.809769      1.039737      7.878038
  C      -3.162669      2.420895      7.851176
  N      -2.504726      2.636437      6.538086
  C      -2.427860      4.070105      6.171450
  C      -3.762793      4.557199      5.629684
  C      -1.169572      1.990054      6.436257
  C      -0.965300      1.588404      4.975598
  N      -2.139977      0.842654      4.529999
  H      -3.585328      5.486751      5.055066
  H      -4.439472      4.839073      6.461344
  H      -1.666687      4.165582      5.384662
  H      -2.097078      4.674607      7.035257
  H      -0.044767      0.991030      4.868120
  H      -0.825129      2.490926      4.356366
  H      -1.173537      1.089547      7.066817
  H      -0.380187      2.668666      6.808806
  H      -4.447258      0.958723      8.776181
  H      -3.032437      0.257621      7.969643
  H      -3.952249      3.180405      7.946670
  H      -2.445339      2.560596      8.680491
  C      -5.418869      4.106028      3.909243
  C      -6.677383      4.546588      4.680397
  C      -7.395119      3.378956      5.348750
  O      -7.643303      2.365874      4.347997
  C      -8.802153      2.406794      3.672446
  N      -9.935476      2.718610      4.285222
  C     -11.064397      2.653654      3.539377
  N     -11.177256      2.355569      2.256090
  C     -10.003414      2.082628      1.606592
  C      -9.999424      1.798951      0.221287
  C      -8.790857      1.535942     -0.393683
  C      -7.602774      1.555693      0.366645
  N      -7.557741      1.820323      1.671116
  C      -8.747744      2.078006      2.281604
  C      -1.936498     -0.596875      4.385596
  C      -1.365541     -1.038714      3.011034
  C      -2.363899     -1.919402      2.257414
  O      -2.249287     -1.841800      0.807342
  C      -2.909591     -0.831660      0.226508
  N      -3.412519      0.143000      0.964646
  C      -4.116626      1.104857      0.328746
  N      -4.359614      1.210079     -0.965844
  C      -3.828746      0.214722     -1.746238
  C      -4.034183      0.219343     -3.144719
  C      -3.499687     -0.809025     -3.898884
  C      -2.768621     -1.828886     -3.253849
  N      -2.551431     -1.874842     -1.943192
  C      -3.071510     -0.864988     -1.201013
  C      -5.914527      0.251344      6.829309
  C      -5.886185     -1.258222      7.158047
  C      -7.006675     -2.007705      6.457474
  O      -6.667812     -2.098323      5.046768
  C      -7.567199     -1.738177      4.115009
  N      -8.744618     -1.236624      4.444864
  C      -9.588391     -0.930434      3.428818
  N      -9.394094     -1.106117      2.134896
  C      -8.172376     -1.607448      1.779906
  C      -7.845237     -1.801930      0.416483
  C      -6.592841     -2.295330      0.097423
  C      -5.683373     -2.582219      1.131906
  N      -5.944074     -2.406040      2.428257
  C      -7.177443     -1.934843      2.744832
  H      -5.016807      4.983087      3.364833
  H      -5.712985      3.358501      3.161250
  H      -6.412965      5.284874      5.454612
  H      -7.366203      5.053562      3.984995
  H      -8.341970      3.680984      5.816705
  H      -6.752847      2.897084      6.097899
  H     -11.992771      2.883560      4.072526
  H     -10.947416      1.793026     -0.317557
  H      -8.737368      1.314377     -1.460374
  H      -6.644888      1.360598     -0.121716
  H      -1.266548     -0.941183      5.196205
  H      -2.897346     -1.109736      4.554586
  H      -0.420937     -1.586323      3.146024
  H      -1.143077     -0.143071      2.417344
  H      -3.393369     -1.659855      2.536561
  H      -2.194724     -2.984438      2.463353
  H      -4.552577      1.869522      0.980860
  H      -4.610112      1.032762     -3.587907
  H      -3.635448     -0.844016     -4.980875
  H      -2.343043     -2.647469     -3.842666
  H      -6.464497      0.401562      5.891399
  H      -6.473879      0.789397      7.620077
  H      -4.922268     -1.682918      6.836126
  H      -5.970570     -1.434163      8.242129
  H      -7.977849     -1.508161      6.566856
  H      -7.090797     -3.043672      6.818946
  H     -10.537182     -0.472615      3.727633
  H      -8.587682     -1.554438     -0.341406
  H      -6.294812     -2.457242     -0.940576
  H      -4.694430     -2.976374      0.885278
  N      -5.135895      0.759077      3.728887
  H      -5.677985      1.186098      2.966501
  H      -5.333923     -0.245842      3.737502
98
Coordinates from ORCA-job orca E -6478.342504209069
  N      -4.336658      3.558652      4.759476
  Mo     -3.898107      1.636772      5.014570
  N      -4.610659      0.861041      6.673350
  C      -3.837511      1.045504      7.901993
  C      -3.181630      2.422521      7.879678
  N      -2.514111      2.635647      6.570518
  C      -2.428035      4.070579      6.207842
  C      -3.757514      4.556974      5.656249
  C      -1.181974      1.981828      6.479908
  C      -0.956456      1.592954      5.019471
  N      -2.128681      0.857305      4.549405
  H      -3.583688      5.501763      5.105875
  H      -4.447196      4.810318      6.486325
  H      -1.659107      4.165658      5.429177
  H      -2.105683      4.671835      7.077080
  H      -0.038421      0.989008      4.923697
  H      -0.798761      2.498788      4.408419
  H      -1.203932      1.072846      7.098190
  H      -0.394027      2.649449      6.875654
  H      -4.488297      0.972052      8.791426
  H      -3.067166      0.258152      8.008809
  H      -3.967743      3.185838      7.969996
  H      -2.468291      2.558256      8.713049
  C      -5.387013      4.118796      3.906806
  C      -6.650189      4.556308      4.672648
  C      -7.368015      3.390006      5.337953
  O      -7.628505      2.384059      4.330560
  C      -8.796306      2.429035      3.669288
  N      -9.917594      2.758437      4.292638
  C     -11.056780      2.698233      3.561793
  N     -11.189969      2.386016      2.283460
  C     -10.028070      2.094700      1.621182
  C     -10.044823      1.797644      0.238625
  C      -8.846060      1.522278     -0.390252
  C      -7.648089      1.541702      0.353992
  N      -7.583995      1.815242      1.655959
  C      -8.763635      2.086587      2.279788
  C      -1.925500     -0.579701      4.377116
  C      -1.359591     -0.995364      2.991577
  C      -2.346012     -1.892991      2.245134
  O      -2.231304     -1.826589      0.794020
  C      -2.902062     -0.828275      0.203347
  N      -3.413982      0.148366      0.931642
  C      -4.126766      1.098621      0.286028
  N      -4.371185      1.189178     -1.009608
  C      -3.832790      0.189907     -1.780170
  C      -4.040681      0.177635     -3.178290
  C      -3.499193     -0.854890     -3.921412
  C      -2.758267     -1.861943     -3.266078
  N      -2.538299     -1.891720     -1.955519
  C      -3.065457     -0.877615     -1.223696
  C      -5.922031      0.243345      6.826264
  C      -5.880600     -1.267319      7.147042
  C      -6.994661     -2.021747      6.444100
  O      -6.652420     -2.103939      5.034174
  C      -7.552701     -1.741469      4.105810
  N      -8.730411     -1.242211      4.439995
  C      -9.579078     -0.936578      3.427590
  N      -9.390683     -1.114069      2.132613
  C      -8.169294     -1.615198      1.773540
  C      -7.850502     -1.817728      0.409887
  C      -6.598599     -2.312374      0.086611
  C      -5.681178     -2.592111      1.117263
  N      -5.934313     -2.409162      2.413502
  C      -7.167508     -1.937703      2.734444
  H      -4.985423      5.000374      3.368787
  H      -5.675823      3.376435      3.151123
  H      -6.393977      5.298670      5.446283
  H      -7.336230      5.057680      3.969483
  H      -8.310385      3.693910      5.812611
  H      -6.725133      2.897229      6.080031
  H     -11.975598      2.942313      4.105009
  H     -11.000122      1.793250     -0.287965
  H      -8.808164      1.292749     -1.456161
  H      -6.698033      1.338826     -0.146849
  H      -1.253979     -0.939505      5.179137
  H      -2.886276     -1.095137      4.539265
  H      -0.400271     -1.520832      3.109258
  H      -1.169854     -0.088416      2.404347
  H      -3.378453     -1.642526      2.520824
  H      -2.165345     -2.954100      2.460865
  H      -4.568120      1.866498      0.930744
  H      -4.624383      0.981849     -3.629572
  H      -3.636636     -0.902947     -5.002872
  H      -2.327147     -2.683798     -3.846308
  H      -6.463545      0.393198      5.883765
  H      -6.495467      0.770020      7.614131
  H      -4.912951     -1.681431      6.823141
  H      -5.963990     -1.449805      8.229917
  H      -7.969277     -1.528669      6.554334
  H      -7.072605     -3.059332      6.801199
  H     -10.529265     -0.484741      3.731045
  H      -8.599555     -1.576118     -0.344187
  H      -6.306799     -2.480826     -0.951268
  H      -4.691882     -2.986054      0.867167
  N      -5.125497      0.774347      3.730987
  H      -5.678553      1.207142      2.981380
  H      -5.310211     -0.233084      3.714070
98
Coordinates from ORCA-job orca E -6478.343733704860
  N      -4.298626      3.568136      4.757959
  Mo     -3.886511      1.638793      5.036040
  N      -4.621069      0.873727      6.691199
  C      -3.864454      1.057337      7.929624
  C      -3.196341      2.428205      7.908470
  N      -2.517230      2.633632      6.604198
  C      -2.419606      4.068356      6.241980
  C      -3.743235      4.556252      5.678651
  C      -1.189956      1.968773      6.527914
  C      -0.943810      1.586112      5.069642
  N      -2.115027      0.863797      4.577495
  H      -3.569891      5.512822      5.148680
  H      -4.446416      4.787235      6.504243
  H      -1.643020      4.159469      5.470528
  H      -2.104326      4.668188      7.114602
  H      -0.030651      0.973168      4.987272
  H      -0.766239      2.492576      4.465423
  H      -1.232350      1.054228      7.136506
  H      -0.402481      2.624281      6.943497
  H      -4.529256      0.996622      8.809636
  H      -3.104123      0.262747      8.055009
  H      -3.976965      3.197868      7.991229
  H      -2.487945      2.559926      8.746414
  C      -5.342600      4.128312      3.900134
  C      -6.615664      4.561977      4.651250
  C      -7.341455      3.396975      5.309320
  O      -7.607914      2.396767      4.297510
  C      -8.780229      2.443260      3.646033
  N      -9.893845      2.787161      4.275025
  C     -11.039757      2.728258      3.555085
  N     -11.185108      2.403023      2.282055
  C     -10.031068      2.095870      1.612793
  C     -10.062303      1.781682      0.234562
  C      -8.871788      1.489918     -0.401324
  C      -7.666666      1.512060      0.331799
  N      -7.589232      1.800109      1.629682
  C      -8.761395      2.086078      2.259993
  C      -1.917530     -0.569625      4.372115
  C      -1.365243     -0.954768      2.972120
  C      -2.348455     -1.861294      2.232726
  O      -2.240621     -1.799894      0.780773
  C      -2.917758     -0.808430      0.186834
  N      -3.431567      0.170821      0.909272
  C      -4.148197      1.114855      0.259028
  N      -4.395881      1.194997     -1.036214
  C      -3.857149      0.192331     -1.801305
  C      -4.067935      0.169797     -3.198883
  C      -3.525168     -0.865296     -3.936132
  C      -2.780138     -1.865404     -3.275631
  N      -2.557218     -1.884971     -1.965893
  C      -3.085335     -0.868017     -1.239462
  C      -5.926071      0.240068      6.827607
  C      -5.870777     -1.269626      7.146529
  C      -6.980384     -2.032217      6.445732
  O      -6.643798     -2.109120      5.033090
  C      -7.548260     -1.751918      4.105880
  N      -8.729028     -1.259378      4.440883
  C      -9.582270     -0.963580      3.429673
  N      -9.397114     -1.146349      2.134999
  C      -8.173191     -1.640411      1.774713
  C      -7.857721     -1.850176      0.410939
  C      -6.602471     -2.333904      0.085851
  C      -5.678622     -2.595212      1.114293
  N      -5.929086     -2.407503      2.410354
  C      -7.165492     -1.947692      2.733649
  H      -4.936957      5.011914      3.368052
  H      -5.621157      3.389405      3.138689
  H      -6.373697      5.306691      5.426309
  H      -7.292798      5.058479      3.936526
  H      -8.282547      3.703842      5.784045
  H      -6.702887      2.894905      6.048948
  H     -11.951164      2.986953      4.103177
  H     -11.022404      1.775966     -0.283691
  H      -8.846032      1.245344     -1.464919
  H      -6.723731      1.294954     -0.175378
  H      -1.243272     -0.950978      5.161703
  H      -2.879952     -1.084180      4.527780
  H      -0.393395     -1.461647      3.064783
  H      -1.208353     -0.034812      2.395476
  H      -3.381459     -1.615539      2.511090
  H      -2.160984     -2.920565      2.452404
  H      -4.585701      1.887839      0.898919
  H      -4.654499      0.968821     -3.654143
  H      -3.664578     -0.921069     -5.016778
  H      -2.348101     -2.689833     -3.850958
  H      -6.458554      0.385630      5.879288
  H      -6.514144      0.757755      7.610866
  H      -4.900427     -1.675079      6.819845
  H      -5.949846     -1.453823      8.229577
  H      -7.958577     -1.548141      6.561014
  H      -7.047878     -3.071257      6.801005
  H     -10.534434     -0.516131      3.734147
  H      -8.611528     -1.621204     -0.341889
  H      -6.312686     -2.507002     -0.951850
  H      -4.685875     -2.978322      0.862241
  N      -5.110827      0.782324      3.736680
  H      -5.674331      1.220031      2.998400
  H      -5.282904     -0.226746      3.700213
98
Coordinates from ORCA-job orca E -6478.344876749059
  N      -4.264737      3.577845      4.757155
  Mo     -3.879477      1.640898      5.054894
  N      -4.636655      0.882295      6.703857
  C      -3.898606      1.064009      7.953444
  C      -3.219070      2.428902      7.938040
  N      -2.526130      2.629343      6.640708
  C      -2.416508      4.063675      6.279548
  C      -3.732372      4.555299      5.701440
  C      -1.203673      1.954075      6.579762
  C      -0.935467      1.580732      5.123006
  N      -2.104021      0.872194      4.604732
  H      -3.555721      5.522173      5.191094
  H      -4.451008      4.767784      6.519391
  H      -1.631369      4.150214      5.515902
  H      -2.108367      4.662009      7.155820
  H      -0.027027      0.959298      5.053211
  H      -0.737255      2.490146      4.529190
  H      -1.266885      1.033366      7.177169
  H      -0.417609      2.597573      7.016460
  H      -4.579207      1.014825      8.822405
  H      -3.148693      0.262398      8.097848
  H      -3.994035      3.204972      8.014197
  H      -2.517255      2.554848      8.782555
  C      -5.300280      4.142684      3.893442
  C      -6.581182      4.574783      4.631918
  C      -7.313653      3.411888      5.282885
  O      -7.591137      2.421883      4.263174
  C      -8.771834      2.466476      3.627787
  N      -9.876001      2.823095      4.265887
  C     -11.032534      2.760950      3.561098
  N     -11.196253      2.419792      2.294721
  C     -10.052275      2.098335      1.615020
  C     -10.102059      1.768419      0.241023
  C      -8.920640      1.466842     -0.407101
  C      -7.705969      1.491304      0.310497
  N      -7.611205      1.791798      1.603972
  C      -8.773710      2.090705      2.245717
  C      -1.909988     -0.555766      4.361373
  C      -1.367446     -0.907149      2.948577
  C      -2.337341     -1.832436      2.217048
  O      -2.230026     -1.780450      0.764424
  C      -2.918463     -0.801092      0.163935
  N      -3.442478      0.178569      0.878421
  C      -4.168988      1.111190      0.221413
  N      -4.419968      1.177107     -1.073960
  C      -3.871747      0.173435     -1.831005
  C      -4.084571      0.137017     -3.228104
  C      -3.531201     -0.897565     -3.957894
  C      -2.773621     -1.884510     -3.290340
  N      -2.548800     -1.890944     -1.980890
  C      -3.087171     -0.873926     -1.261860
  C      -5.934080      0.230262      6.824758
  C      -5.859786     -1.278245      7.143705
  C      -6.961768     -2.052039      6.444335
  O      -6.624843     -2.121530      5.031096
  C      -7.531503     -1.761822      4.109467
  N      -8.711793     -1.272644      4.451899
  C      -9.571397     -0.975729      3.446073
  N      -9.393472     -1.154426      2.149986
  C      -8.170118     -1.645694      1.781956
  C      -7.864179     -1.855646      0.416268
  C      -6.609065     -2.334248      0.082916
  C      -5.675729     -2.591363      1.105793
  N      -5.918064     -2.405808      2.403280
  C      -7.154719     -1.951072      2.734536
  H      -4.887864      5.027640      3.368855
  H      -5.570830      3.408415      3.123967
  H      -6.349703      5.320008      5.409866
  H      -7.251249      5.069708      3.909809
  H      -8.250722      3.721546      5.764287
  H      -6.675008      2.899589      6.015297
  H     -11.935047      3.032455      4.117777
  H     -11.068176      1.761654     -0.265051
  H      -8.908591      1.213568     -1.468573
  H      -6.770485      1.266111     -0.207824
  H      -1.233033     -0.958652      5.137850
  H      -2.873167     -1.072062      4.509114
  H      -0.379831     -1.386337      3.018257
  H      -1.249739      0.024311      2.381044
  H      -3.373518     -1.597514      2.493630
  H      -2.136581     -2.887553      2.445400
  H      -4.611843      1.886430      0.855932
  H      -4.681000      0.926036     -3.689193
  H      -3.671592     -0.963371     -5.037903
  H      -2.333148     -2.708903     -3.859805
  H      -6.457946      0.369287      5.870414
  H      -6.537915      0.738889      7.602584
  H      -4.884935     -1.672446      6.814780
  H      -5.933917     -1.464120      8.227028
  H      -7.945314     -1.577879      6.561439
  H      -7.018091     -3.092625      6.797152
  H     -10.524048     -0.529938      3.756813
  H      -8.625637     -1.630536     -0.331527
  H      -6.326151     -2.507200     -0.956713
  H      -4.682378     -2.969294      0.846691
  N      -5.096053      0.791629      3.739976
  H      -5.669184      1.235677      3.013426
  H      -5.251812     -0.219524      3.681370
98
Coordinates from ORCA-job orca E -6478.345968446813
  N      -4.230489      3.589831      4.767763
  Mo     -3.869969      1.646779      5.077676
  N      -4.648820      0.893729      6.719958
  C      -3.928318      1.071918      7.980250
  C      -3.236341      2.430492      7.971385
  N      -2.530311      2.626540      6.681043
  C      -2.408929      4.060335      6.322066
  C      -3.717390      4.556824      5.732686
  C      -1.213079      1.940822      6.633686
  C      -0.925433      1.573842      5.178930
  N      -2.092196      0.880758      4.637410
  H      -3.536730      5.531960      5.239825
  H      -4.448509      4.754880      6.543266
  H      -1.617620      4.143269      5.564676
  H      -2.105860      4.656956      7.201301
  H      -0.022661      0.942977      5.121114
  H      -0.707169      2.485265      4.594906
  H      -1.295364      1.015638      7.221641
  H      -0.427611      2.573164      7.087157
  H      -4.623542      1.034138      8.838401
  H      -3.189786      0.262810      8.141426
  H      -4.004968      3.213246      8.042448
  H      -2.541029      2.549499      8.822311
  C      -5.254472      4.160908      3.896004
  C      -6.546819      4.585567      4.617718
  C      -7.286739      3.416838      5.250323
  O      -7.570106      2.443750      4.215680
  C      -8.757875      2.486266      3.596720
  N      -9.852100      2.854151      4.245627
  C     -11.018015      2.791748      3.557033
  N     -11.200550      2.437738      2.297477
  C     -10.067161      2.102959      1.606168
  C     -10.137287      1.756966      0.237323
  C      -8.966641      1.443633     -0.423867
  C      -7.741323      1.471099      0.276205
  N      -7.628148      1.784727      1.564037
  C      -8.780041      2.095935      2.218349
  C      -1.901962     -0.539851      4.353184
  C      -1.373676     -0.854575      2.926458
  C      -2.329591     -1.799571      2.203052
  O      -2.226262     -1.755770      0.749783
  C      -2.927446     -0.790003      0.143681
  N      -3.462128      0.189383      0.850235
  C      -4.200223      1.108338      0.186862
  N      -4.455801      1.158782     -1.108208
  C      -3.897282      0.155239     -1.857208
  C      -4.112887      0.103906     -3.253558
  C      -3.547760     -0.928791     -3.976228
  C      -2.775781     -1.900277     -3.302148
  N      -2.548303     -1.892521     -1.993349
  C      -3.098000     -0.876833     -1.281494
  C      -5.937611      0.221621      6.824454
  C      -5.845846     -1.285824      7.140084
  C      -6.942272     -2.069076      6.442499
  O      -6.611083     -2.128590      5.027221
  C      -7.520594     -1.766950      4.110437
  N      -8.701822     -1.283314      4.457399
  C      -9.566697     -0.989831      3.454809
  N      -9.394538     -1.170128      2.158543
  C      -8.170392     -1.656159      1.785298
  C      -7.871453     -1.872722      0.419274
  C      -6.615881     -2.346535      0.081284
  C      -5.674421     -2.591529      1.099879
  N      -5.910921     -2.401372      2.396943
  C      -7.148563     -1.952548      2.733292
  H      -4.834873      5.049538      3.383145
  H      -5.511476      3.432330      3.116219
  H      -6.328123      5.325278      5.405159
  H      -7.208082      5.084791      3.889810
  H      -8.221557      3.723043      5.736849
  H      -6.648431      2.891218      5.974942
  H     -11.911592      3.073714      4.124182
  H     -11.110791      1.747356     -0.254763
  H      -8.970578      1.177768     -1.481968
  H      -6.814016      1.235355     -0.252709
  H      -1.219844     -0.965174      5.112717
  H      -2.865006     -1.058284      4.494260
  H      -0.370320     -1.303134      2.969760
  H      -1.298369      0.087359      2.369221
  H      -3.368391     -1.577723      2.480313
  H      -2.112901     -2.849836      2.438569
  H      -4.647701      1.885897      0.815414
  H      -4.720455      0.881103     -3.720016
  H      -3.689603     -1.005260     -5.055382
  H      -2.325827     -2.723459     -3.865791
  H      -6.452452      0.355529      5.864542
  H      -6.556830      0.718900      7.597334
  H      -4.868348     -1.669129      6.806158
  H      -5.913073     -1.474756      8.223042
  H      -7.930269     -1.606690      6.566197
  H      -6.985314     -3.111795      6.789473
  H     -10.520145     -0.552671      3.769560
  H      -8.638762     -1.657372     -0.324818
  H      -6.338604     -2.525136     -0.958616
  H      -4.679917     -2.964251      0.837086
  N      -5.078311      0.806185      3.746650
  H      -5.660059      1.258615      3.033211
  H      -5.218089     -0.205454      3.666891
98
Coordinates from ORCA-job orca E -6478.347042081037
  N      -4.197738      3.596697      4.776699
  Mo     -3.862411      1.648937      5.101808
  N      -4.662993      0.904820      6.738680
  C      -3.960073      1.082182      8.008893
  C      -3.254221      2.433562      8.003903
  N      -2.534137      2.621087      6.720701
  C      -2.398698      4.052819      6.358736
  C      -3.698322      4.556640      5.755959
  C      -1.223393      1.922852      6.688507
  C      -0.918006      1.557665      5.236925
  N      -2.083501      0.881262      4.673666
  H      -3.509136      5.535656      5.274005
  H      -4.440249      4.750256      6.557849
  H      -1.601361      4.127606      5.606726
  H      -2.098507      4.650567      7.238306
  H      -0.022167      0.916058      5.191938
  H      -0.678616      2.469361      4.661395
  H      -1.324970      0.996142      7.270881
  H      -0.437373      2.544852      7.154809
  H      -4.669766      1.058094      8.855888
  H      -3.233858      0.265575      8.187752
  H      -4.015213      3.224411      8.067890
  H      -2.566092      2.546528      8.861478
  C      -5.207353      4.174639      3.894141
  C      -6.510894      4.595871      4.597491
  C      -7.260713      3.423198      5.211732
  O      -7.552728      2.470437      4.160707
  C      -8.749461      2.509106      3.562130
  N      -9.833040      2.888831      4.221455
  C     -11.009182      2.823051      3.549834
  N     -11.211705      2.454726      2.297781
  C     -10.089316      2.106020      1.595435
  C     -10.180084      1.742714      0.231951
  C      -9.020644      1.417006     -0.441781
  C      -7.784822      1.447486      0.241248
  N      -7.652950      1.775973      1.523135
  C      -8.793670      2.100841      2.188913
  C      -1.897757     -0.529921      4.345201
  C      -1.383750     -0.802583      2.904951
  C      -2.321373     -1.768322      2.186164
  O      -2.219363     -1.729298      0.732656
  C      -2.935717     -0.778320      0.122120
  N      -3.486095      0.196716      0.822895
  C      -4.238319      1.100583      0.154882
  N      -4.496758      1.138325     -1.139958
  C      -3.922701      0.139412     -1.883013
  C      -4.138963      0.076091     -3.278882
  C      -3.556788     -0.950350     -3.996580
  C      -2.767114     -1.904523     -3.317926
  N      -2.538761     -1.885312     -2.009624
  C      -3.105318     -0.875658     -1.302813
  C      -5.942785      0.213564      6.828203
  C      -5.831831     -1.292060      7.143605
  C      -6.920521     -2.087179      6.447272
  O      -6.592535     -2.139508      5.030077
  C      -7.504839     -1.775779      4.117674
  N      -8.686079     -1.295870      4.470503
  C      -9.556059     -1.003107      3.471867
  N      -9.389891     -1.181220      2.174856
  C      -8.165686     -1.663611      1.795185
  C      -7.873895     -1.880908      0.427599
  C      -6.617960     -2.347483      0.082454
  C      -5.668588     -2.585207      1.096205
  N      -5.899607     -2.397263      2.394473
  C      -7.137887     -1.955487      2.737722
  H      -4.778232      5.065000      3.392494
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  H      -6.303330      5.329310      5.393617
  H      -7.162188      5.101060      3.865215
  H      -8.192494      3.728046      5.704555
  H      -6.623527      2.882154      5.926509
  H     -11.892375      3.117470      4.126143
  H     -11.160798      1.730462     -0.246084
  H      -9.040447      1.137697     -1.496511
  H      -6.866032      1.200513     -0.297175
  H      -1.210154     -0.979644      5.085377
  H      -2.860615     -1.050966      4.478111
  H      -0.364403     -1.215873      2.921488
  H      -1.353387      0.149798      2.361140
  H      -3.363632     -1.562863      2.463042
  H      -2.086418     -2.813581      2.426962
  H      -4.694724      1.876492      0.778931
  H      -4.760240      0.839927     -3.749163
  H      -3.698243     -1.035209     -5.075091
  H      -2.303299     -2.722703     -3.877576
  H      -6.447800      0.340003      5.862036
  H      -6.578130      0.701221      7.594191
  H      -4.850847     -1.663977      6.806256
  H      -5.892927     -1.482353      8.226703
  H      -7.913759     -1.636874      6.574639
  H      -6.949640     -3.131726      6.790678
  H     -10.509307     -0.567659      3.791559
  H      -8.646864     -1.670808     -0.312369
  H      -6.345992     -2.525310     -0.959552
  H      -4.672930     -2.950391      0.827800
  N      -5.062198      0.813154      3.756815
  H      -5.651492      1.272830      3.055339
  H      -5.185734     -0.198840      3.658542
98
Coordinates from ORCA-job orca E -6478.348135889897
  N      -4.167224      3.602127      4.791170
  Mo     -3.854040      1.651910      5.129839
  N      -4.675513      0.915923      6.761126
  C      -3.989448      1.093472      8.040261
  C      -3.270388      2.437955      8.038801
  N      -2.536245      2.616369      6.762791
  C      -2.387041      4.045306      6.396555
  C      -3.677808      4.556775      5.781171
  C      -1.232092      1.905957      6.745230
  C      -0.910374      1.539537      5.297296
  N      -2.074807      0.879605      4.714285
  H      -3.478692      5.537167      5.306236
  H      -4.428148      4.751017      6.574812
  H      -1.584685      4.110935      5.649147
  H      -2.088201      4.645119      7.275293
  H      -0.022018      0.886744      5.265502
  H      -0.649863      2.450325      4.728942
  H      -1.351163      0.979831      7.325166
  H      -0.445021      2.519507      7.220934
  H      -4.712545      1.082041      8.876373
  H      -3.274702      0.270357      8.234894
  H      -4.023622      3.236676      8.095212
  H      -2.589817      2.545485      8.903080
  C      -5.159810      4.187520      3.895195
  C      -6.475986      4.603328      4.578429
  C      -7.237364      3.423524      5.165847
  O      -7.535403      2.498746      4.092124
  C      -8.741289      2.532527      3.515893
  N      -9.814810      2.918688      4.188452
  C     -11.001219      2.848274      3.535539
  N     -11.223859      2.468578      2.290714
  C     -10.111870      2.111215      1.574704
  C     -10.223329      1.733821      0.216588
  C      -9.074641      1.400992     -0.471581
  C      -7.827856      1.437204      0.192062
  N      -7.677501      1.777927      1.467841
  C      -8.807470      2.110429      2.146966
  C      -1.892210     -0.519691      4.340077
  C      -1.395571     -0.746067      2.886291
  C      -2.310698     -1.734784      2.171202
  O      -2.211464     -1.698570      0.717491
  C      -2.945218     -0.764073      0.103062
  N      -3.511719      0.205618      0.798501
  C      -4.280095      1.092282      0.126263
  N      -4.543234      1.116330     -1.168052
  C      -3.953274      0.122878     -1.905440
  C      -4.172381      0.045813     -3.300324
  C      -3.573106     -0.974000     -4.012952
  C      -2.763321     -1.908236     -3.330325
  N      -2.531825     -1.875902     -2.023002
  C      -3.115481     -0.872924     -1.321247
  C      -5.944968      0.203736      6.834352
  C      -5.813477     -1.300337      7.147143
  C      -6.893631     -2.108629      6.452072
  O      -6.571080     -2.153358      5.032772
  C      -7.486829     -1.785585      4.126257
  N      -8.666309     -1.307091      4.486404
  C      -9.541599     -1.012165      3.492958
  N      -9.383329     -1.187171      2.195042
  C      -8.160979     -1.668808      1.807623
  C      -7.878687     -1.886604      0.438327
  C      -6.625249     -2.352780      0.084989
  C      -5.667972     -2.588541      1.092836
  N      -5.890911     -2.401136      2.392021
  C      -7.127325     -1.960805      2.743409
  H      -4.720994      5.080891      3.407742
  H      -5.385032      3.469122      3.095618
  H      -6.280026      5.326096      5.387030
  H      -7.115659      5.119140      3.843657
  H      -8.167430      3.723801      5.663760
  H      -6.603980      2.862513      5.868906
  H     -11.875180      3.149088      4.123622
  H     -11.211401      1.717520     -0.245414
  H      -9.110355      1.110075     -1.522256
  H      -6.916580      1.184035     -0.356921
  H      -1.196692     -0.993098      5.057348
  H      -2.853547     -1.044973      4.465943
  H      -0.360147     -1.118019      2.874160
  H      -1.415625      0.215799      2.359107
  H      -3.356624     -1.550514      2.449281
  H      -2.052871     -2.773936      2.415423
  H      -4.746954      1.865028      0.745832
  H      -4.809195      0.794390     -3.773993
  H      -3.716002     -1.068812     -5.090436
  H      -2.285576     -2.720856     -3.886011
  H      -6.439672      0.323597      5.862051
  H      -6.597210      0.679470      7.593396
  H      -4.828975     -1.659143      6.805747
  H      -5.868020     -1.493029      8.230055
  H      -7.892393     -1.672631      6.584393
  H      -6.906464     -3.154950      6.790839
  H     -10.493285     -0.578973      3.819116
  H      -8.657002     -1.676727     -0.296883
  H      -6.361060     -2.530997     -0.958882
  H      -4.673275     -2.951686      0.818334
  N      -5.043330      0.818984      3.770371
  H      -5.637966      1.285453      3.079166
  H      -5.150377     -0.192663      3.654506
98
Coordinates from ORCA-job orca E -6478.349299687087
  N      -4.139948      3.603142      4.810453
  Mo     -3.846261      1.653242      5.163016
  N      -4.685616      0.925791      6.790590
  C      -4.012593      1.104761      8.075893
  C      -3.280304      2.442182      8.075414
  N      -2.534471      2.609619      6.805076
  C      -2.371387      4.034753      6.431858
  C      -3.654028      4.554813      5.806382
  C      -1.237455      1.886324      6.799944
  C      -0.904196      1.514422      5.355816
  N      -2.069101      0.870477      4.757448
  H      -3.443406      5.533560      5.333346
  H      -4.408790      4.755909      6.593484
  H      -1.566073      4.088971      5.686986
  H      -2.070259      4.637952      7.307656
  H      -0.024076      0.849714      5.336373
  H      -0.623412      2.422608      4.792021
  H      -1.371702      0.963497      7.381936
  H      -0.447341      2.493184      7.279680
  H      -4.746192      1.105302      8.903083
  H      -3.308088      0.275878      8.283033
  H      -4.024952      3.249204      8.124575
  H      -2.605758      2.544906      8.944921
  C      -5.113232      4.196877      3.898649
  C      -6.442786      4.607267      4.559902
  C      -7.218874      3.418814      5.110983
  O      -7.522103      2.531675      4.007322
  C      -8.737161      2.560707      3.454691
  N      -9.799872      2.951529      4.140788
  C     -10.996334      2.874214      3.507260
  N     -11.240134      2.481957      2.270415
  C     -10.139166      2.116970      1.540567
  C     -10.272783      1.721093      0.189062
  C      -9.135937      1.380546     -0.513551
  C      -7.877741      1.427628      0.129134
  N      -7.707649      1.785328      1.397717
  C      -8.825980      2.124737      2.090236
  C      -1.888834     -0.514741      4.336724
  C      -1.410920     -0.690982      2.870329
  C      -2.298982     -1.702596      2.154404
  O      -2.201728     -1.664028      0.700647
  C      -2.956587     -0.748147      0.083951
  N      -3.545300      0.210643      0.776636
  C      -4.334221      1.076944      0.101980
  N      -4.600536      1.089811     -1.192140
  C      -3.988594      0.107328     -1.926232
  C      -4.209079      0.018583     -3.320313
  C      -3.586911     -0.989659     -4.029879
  C      -2.752655     -1.900490     -3.345329
  N      -2.519004     -1.856896     -2.038778
  C      -3.125665     -0.865752     -1.339976
  C      -5.944805      0.194228      6.849590
  C      -5.793564     -1.308686      7.158110
  C      -6.864714     -2.129686      6.463946
  O      -6.547677     -2.167051      5.042565
  C      -7.467020     -1.793676      4.142178
  N      -8.644523     -1.316441      4.509868
  C      -9.524351     -1.016812      3.521559
  N      -9.372935     -1.186074      2.222115
  C      -8.152647     -1.667280      1.827026
  C      -7.878511     -1.882518      0.455508
  C      -6.627705     -2.347818      0.093464
  C      -5.664063     -2.585040      1.095632
  N      -5.880279     -2.401594      2.396461
  C      -7.114428     -1.962450      2.756264
  H      -4.664316      5.093902      3.427774
  H      -5.318808      3.484476      3.087472
  H      -6.257824      5.314838      5.384286
  H      -7.068671      5.138927      3.824870
  H      -8.148275      3.712995      5.613201
  H      -6.593553      2.831136      5.799495
  H     -11.860225      3.180680      4.106628
  H     -11.268904      1.696955     -0.255427
  H      -9.188777      1.073340     -1.559134
  H      -6.974270      1.168436     -0.429692
  H      -1.183499     -1.010738      5.028277
  H      -2.847548     -1.045876      4.456015
  H      -0.360562     -1.017283      2.830309
  H      -1.483534      0.279454      2.363800
  H      -3.349031     -1.544737      2.433769
  H      -2.014359     -2.735000      2.398319
  H      -4.817088      1.841641      0.718835
  H      -4.864996      0.749231     -3.795736
  H      -3.730033     -1.092919     -5.106552
  H      -2.256356     -2.703323     -3.898906
  H      -6.430581      0.308783      5.872378
  H      -6.612288      0.657640      7.602691
  H      -4.805733     -1.653851      6.812246
  H      -5.842039     -1.504839      8.240740
  H      -7.868797     -1.708197      6.601334
  H      -6.860827     -3.177677      6.797745
  H     -10.474071     -0.585145      3.854627
  H      -8.660803     -1.670870     -0.274664
  H      -6.370418     -2.523627     -0.952766
  H      -4.670446     -2.946321      0.815039
  N      -5.025714      0.821103      3.790943
  H      -5.625107      1.294024      3.109491
  H      -5.117858     -0.189524      3.659368
98
Coordinates from ORCA-job orca E -6478.350520115230
  N      -4.116814      3.598799      4.834914
  Mo     -3.836337      1.654467      5.204974
  N      -4.690478      0.933694      6.830267
  C      -4.026691      1.116304      8.118722
  C      -3.283209      2.447551      8.116327
  N      -2.528219      2.603167      6.849726
  C      -2.353844      4.023662      6.466838
  C      -3.630164      4.550542      5.832744
  C      -1.237724      1.868060      6.854560
  C      -0.897246      1.486684      5.414166
  N      -2.063522      0.855412      4.804964
  H      -3.408029      5.524841      5.356228
  H      -4.386132      4.762689      6.614797
  H      -1.547068      4.065544      5.723151
  H      -2.048353      4.631869      7.337817
  H      -0.024919      0.810866      5.406443
  H      -0.598335      2.390724      4.851536
  H      -1.383352      0.951307      7.443699
  H      -0.443233      2.471207      7.333195
  H      -4.767782      1.126198      8.939368
  H      -3.329013      0.283730      8.334735
  H      -4.019653      3.262146      8.157992
  H      -2.612973      2.547293      8.989424
  C      -5.067601      4.200471      3.903086
  C      -6.412510      4.601741      4.539920
  C      -7.204794      3.402390      5.040463
  O      -7.509752      2.565816      3.897851
  C      -8.734898      2.590030      3.371249
  N      -9.785789      2.977760      4.076406
  C     -10.993509      2.892317      3.466387
  N     -11.261269      2.491358      2.237307
  C     -10.172544      2.126002      1.487805
  C     -10.332035      1.714038      0.143450
  C      -9.208476      1.372471     -0.579125
  C      -7.937166      1.436404      0.035935
  N      -7.744128      1.809067      1.296998
  C      -8.849212      2.147116      2.008851
  C      -1.882778     -0.513527      4.339007
  C      -1.427579     -0.637197      2.860690
  C      -2.284671     -1.671361      2.140622
  O      -2.191471     -1.624524      0.686694
  C      -2.972902     -0.731214      0.069117
  N      -3.590226      0.210309      0.761149
  C      -4.404899      1.051130      0.085101
  N      -4.672878      1.054392     -1.209251
  C      -4.032460      0.089097     -1.941993
  C      -4.252708     -0.010273     -3.335438
  C      -3.601362     -1.001610     -4.042977
  C      -2.738123     -1.883824     -3.357759
  N      -2.503211     -1.829671     -2.051782
  C      -3.139214     -0.855932     -1.354564
  C      -5.938806      0.183025      6.874520
  C      -5.768006     -1.319801      7.174700
  C      -6.829405     -2.153232      6.480566
  O      -6.519609     -2.183635      5.057053
  C      -7.443355     -1.801504      4.164559
  N      -8.616342     -1.321869      4.541870
  C      -9.500296     -1.011562      3.560559
  N      -9.356874     -1.170395      2.258662
  C      -8.141425     -1.655526      1.854288
  C      -7.876701     -1.862986      0.479561
  C      -6.632025     -2.334270      0.106590
  C      -5.664098     -2.584481      1.101846
  N      -5.871672     -2.408091      2.405054
  C      -7.100040     -1.963494      2.775391
  H      -4.609694      5.103595      3.453640
  H      -5.248743      3.496071      3.078254
  H      -6.239876      5.287754      5.384394
  H      -7.022189      5.154467      3.807697
  H      -8.135830      3.686341      5.545179
  H      -6.593881      2.780281      5.709855
  H     -11.846540      3.197871      4.081083
  H     -11.337625      1.678532     -0.278182
  H      -9.281393      1.049738     -1.618800
  H      -7.041662      1.178300     -0.536398
  H      -1.163885     -1.028671      5.001486
  H      -2.836626     -1.053507      4.454502
  H      -0.364049     -0.913986      2.793333
  H      -1.554985      0.340101      2.378546
  H      -3.338702     -1.546609      2.423325
  H      -1.967662     -2.695909      2.379212
  H      -4.909974      1.802007      0.699994
  H      -4.931498      0.698567     -3.811475
  H      -3.743374     -1.112804     -5.119016
  H      -2.218450     -2.672309     -3.910400
  H      -6.416344      0.294714      5.893182
  H      -6.621215      0.631873      7.622868
  H      -4.776700     -1.649540      6.824153
  H      -5.811444     -1.521878      8.256674
  H      -7.838634     -1.747004      6.623895
  H      -6.807841     -3.202779      6.808794
  H     -10.446097     -0.579355      3.903024
  H      -8.660977     -1.639505     -0.244791
  H      -6.383050     -2.504153     -0.942618
  H      -4.674339     -2.949959      0.813743
  N      -5.004267      0.818108      3.820877
  H      -5.607552      1.295388      3.147150
  H      -5.081702     -0.191143      3.675066
98
Coordinates from ORCA-job orca E -6478.351755368953
  N      -4.092607      3.599438      4.858213
  Mo     -3.826371      1.658675      5.241626
  N      -4.699294      0.943129      6.861535
  C      -4.047063      1.127943      8.154510
  C      -3.292141      2.452820      8.152256
  N      -2.525599      2.597246      6.890320
  C      -2.337350      4.014720      6.501860
  C      -3.606679      4.549504      5.858368
  C      -1.242616      1.849107      6.907416
  C      -0.891589      1.458284      5.472132
  N      -2.059178      0.840492      4.850233
  H      -3.375008      5.521550      5.381253
  H      -4.365631      4.766581      6.636232
  H      -1.526464      4.045296      5.761740
  H      -2.030066      4.624627      7.371042
  H      -0.028830      0.770177      5.478309
  H      -0.571386      2.356528      4.910592
  H      -1.402408      0.937421      7.500852
  H      -0.445368      2.446650      7.389553
  H      -4.796614      1.147144      8.967666
  H      -3.356765      0.291456      8.381473
  H      -4.020862      3.274730      8.184852
  H      -2.627149      2.549065      9.029847
  C      -5.024786      4.205598      3.910044
  C      -6.381626      4.600477      4.526301
  C      -7.190644      3.397410      4.985255
  O      -7.504432      2.602627      3.813742
  C      -8.741547      2.621504      3.315405
  N      -9.777125      3.009645      4.040917
  C     -10.998438      2.918900      3.458397
  N     -11.294177      2.508763      2.238863
  C     -10.221900      2.140040      1.467492
  C     -10.412183      1.712684      0.131760
  C      -9.305224      1.367861     -0.614287
  C      -8.020165      1.445826     -0.031226
  N      -7.799245      1.831898      1.221634
  C      -8.887116      2.171290      1.956657
  C      -1.879221     -0.511727      4.337917
  C      -1.444722     -0.583751      2.849735
  C      -2.267280     -1.641718      2.125300
  O      -2.171973     -1.591289      0.671533
  C      -2.979404     -0.725267      0.048487
  N      -3.631260      0.196850      0.735060
  C      -4.471257      1.007545      0.052503
  N      -4.734013      0.997335     -1.243011
  C      -4.058560      0.051425     -1.970123
  C      -4.271058     -0.061449     -3.363766
  C      -3.584311     -1.033650     -4.064372
  C      -2.693156     -1.882399     -3.372846
  N      -2.463992     -1.814536     -2.066626
  C      -3.135493     -0.860077     -1.375495
  C      -5.936696      0.174870      6.888133
  C      -5.745919     -1.327498      7.181120
  C      -6.796879     -2.173542      6.486862
  O      -6.492364     -2.196327      5.061751
  C      -7.418783     -1.804809      4.175661
  N      -8.588684     -1.323909      4.560517
  C      -9.475488     -1.003140      3.585117
  N      -9.337550     -1.151246      2.280721
  C      -8.125492     -1.638877      1.868994
  C      -7.866890     -1.838518      0.491608
  C      -6.626683     -2.314368      0.110034
  C      -5.656989     -2.577876      1.100065
  N      -5.858383     -2.409227      2.405413
  C      -7.082066     -1.959388      2.783970
  H      -4.560619      5.113630      3.477069
  H      -5.186884      3.507313      3.075995
  H      -6.219471      5.268888      5.386518
  H      -6.975499      5.170443      3.794360
  H      -8.120832      3.677332      5.494207
  H      -6.594160      2.743474      5.635866
  H     -11.837521      3.227160      4.089628
  H     -11.427748      1.668310     -0.264317
  H      -9.402275      1.031002     -1.647834
  H      -7.135649      1.187358     -0.620463
  H      -1.149388     -1.046214      4.973235
  H      -2.829816     -1.059208      4.446776
  H      -0.370955     -0.809842      2.758998
  H      -1.626512      0.396712      2.391762
  H      -3.326031     -1.551078      2.405523
  H      -1.918094     -2.656270      2.362837
  H      -5.003263      1.743956      0.661867
  H      -4.972153      0.621957     -3.844687
  H      -3.719362     -1.154826     -5.140261
  H      -2.145041     -2.655048     -3.920557
  H      -6.405120      0.285019      5.901744
  H      -6.634741      0.608475      7.631823
  H      -4.750531     -1.641509      6.827409
  H      -5.785512     -1.535133      8.262703
  H      -7.811340     -1.782210      6.635050
  H      -6.758127     -3.223992      6.811107
  H     -10.418828     -0.572978      3.935634
  H      -8.651800     -1.604922     -0.227949
  H      -6.382974     -2.478115     -0.941519
  H      -4.670354     -2.947495      0.806118
  N      -4.979545      0.823312      3.837816
  H      -5.583692      1.303711      3.168448
  H      -5.042662     -0.183448      3.673246
98
Coordinates from ORCA-job orca E -6478.353071566880
  N      -4.065941      3.603413      4.880891
  Mo     -3.815770      1.665542      5.279555
  N      -4.709899      0.955638      6.891773
  C      -4.069793      1.140895      8.189720
  C      -3.303072      2.459017      8.187848
  N      -2.524155      2.591843      6.930766
  C      -2.320675      4.007095      6.538659
  C      -3.581693      4.550924      5.883779
  C      -1.249283      1.829885      6.960305
  C      -0.887371      1.428363      5.530775
  N      -2.056779      0.824651      4.896996
  H      -3.339515      5.521287      5.407905
  H      -4.345844      4.771193      6.656418
  H      -1.503895      4.026560      5.804156
  H      -2.013613      4.616826      7.407999
  H      -0.035775      0.726626      5.551249
  H      -0.543994      2.318696      4.969686
  H      -1.423987      0.922970      7.556514
  H      -0.450619      2.420970      7.447873
  H      -4.826841      1.169497      8.995967
  H      -3.387444      0.300388      8.428410
  H      -4.023838      3.288211      8.210186
  H      -2.643493      2.551968      9.069931
  C      -4.978571      4.213081      3.916273
  C      -6.346783      4.602102      4.510238
  C      -7.173754      3.399232      4.928110
  O      -7.494069      2.640563      3.731877
  C      -8.743173      2.651290      3.261116
  N      -9.762431      3.036452      4.009930
  C     -10.998374      2.941855      3.458958
  N     -11.323549      2.524010      2.250279
  C     -10.270344      2.154876      1.453626
  C     -10.495014      1.713686      0.128487
  C      -9.407514      1.368171     -0.645514
  C      -8.107885      1.463039     -0.101046
  N      -7.855076      1.860858      1.142152
  C      -8.922750      2.197761      1.906137
  C      -1.879029     -0.509118      4.337732
  C      -1.466885     -0.530548      2.841452
  C      -2.250081     -1.612768      2.111880
  O      -2.152918     -1.556373      0.658407
  C      -2.991827     -0.723595      0.032494
  N      -3.686044      0.169858      0.715020
  C      -4.557076      0.944306      0.027213
  N      -4.812205      0.921239     -1.269434
  C      -4.093297      0.004663     -1.992724
  C      -4.294360     -0.118650     -3.387108
  C      -3.563125     -1.061168     -4.082692
  C      -2.638597     -1.869769     -3.385985
  N      -2.418881     -1.790579     -2.079125
  C      -3.134629     -0.865173     -1.392227
  C      -5.935412      0.169630      6.898713
  C      -5.722978     -1.331555      7.182346
  C      -6.761832     -2.191716      6.487094
  O      -6.461375     -2.209532      5.060818
  C      -7.388278     -1.809016      4.179718
  N      -8.553493     -1.321418      4.570996
  C      -9.442144     -0.988778      3.601439
  N      -9.309680     -1.126974      2.295280
  C      -8.103068     -1.623256      1.876830
  C      -7.851029     -1.815130      0.497496
  C      -6.617963     -2.303128      0.108159
  C      -5.649256     -2.587955      1.092986
  N      -5.843067     -2.425816      2.399708
  C      -7.059196     -1.962091      2.785944
  H      -4.507187      5.125108      3.499332
  H      -5.123834      3.521254      3.073957
  H      -6.197866      5.252726      5.386480
  H      -6.921649      5.189278      3.775951
  H      -8.103570      3.677102      5.438663
  H      -6.593310      2.716319      5.562963
  H     -11.821996      3.250999      4.109720
  H     -11.520956      1.658784     -0.237973
  H      -9.532315      1.018108     -1.671647
  H      -7.237588      1.205410     -0.711984
  H      -1.138347     -1.060803      4.945563
  H      -2.826296     -1.063870      4.441020
  H      -0.385696     -0.703568      2.728489
  H      -1.704774      0.449317      2.409180
  H      -3.312325     -1.562111      2.388996
  H      -1.864483     -2.614315      2.347454
  H      -5.122429      1.660222      0.632138
  H      -5.022189      0.533885     -3.871898
  H      -3.688021     -1.189393     -5.158968
  H      -2.054700     -2.618714     -3.930083
  H      -6.394649      0.280121      5.907733
  H      -6.648794      0.585311      7.638469
  H      -4.722789     -1.627394      6.826671
  H      -5.758935     -1.545616      8.262716
  H      -7.782083     -1.816365      6.638422
  H      -6.705464     -3.241629      6.809402
  H     -10.382862     -0.557246      3.959314
  H      -8.635165     -1.564928     -0.217739
  H      -6.379294     -2.460973     -0.945132
  H      -4.668403     -2.968525      0.793128
  N      -4.953644      0.831947      3.854446
  H      -5.561207      1.313057      3.188931
  H      -5.003590     -0.172218      3.671121
98
Coordinates from ORCA-job orca E -6478.354359763271
  N      -4.040962      3.610115      4.904133
  Mo     -3.805954      1.672388      5.314545
  N      -4.719049      0.968555      6.918684
  C      -4.088496      1.152543      8.220939
  C      -3.310549      2.464264      8.218620
  N      -2.521802      2.586000      6.965288
  C      -2.302622      3.999916      6.571168
  C      -3.554977      4.554578      5.907482
  C      -1.254753      1.811243      7.005089
  C      -0.884859      1.396980      5.581894
  N      -2.057262      0.807152      4.941179
  H      -3.301947      5.523245      5.433877
  H      -4.323133      4.778527      6.676138
  H      -1.480883      4.008624      5.841761
  H      -1.995413      4.607753      7.441732
  H      -0.045481      0.680852      5.616083
  H      -0.518823      2.277167      5.019210
  H      -1.442512      0.908639      7.603205
  H      -0.455450      2.396425      7.496970
  H      -4.849981      1.190678      9.022775
  H      -3.414391      0.307921      8.470373
  H      -4.023758      3.300038      8.231806
  H      -2.654891      2.554567      9.103834
  C      -4.935477      4.221884      3.925878
  C      -6.314607      4.605539      4.495142
  C      -7.161216      3.404820      4.870663
  O      -7.485790      2.679374      3.651016
  C      -8.745524      2.679986      3.205169
  N      -9.749534      3.058879      3.977288
  C     -10.999615      2.960497      3.458533
  N     -11.352443      2.535082      2.261396
  C     -10.318386      2.168382      1.440085
  C     -10.577016      1.713753      0.126869
  C      -9.509607      1.370834     -0.676191
  C      -8.195805      1.486241     -0.172705
  N      -7.910542      1.895819      1.059376
  C      -8.957536      2.225883      1.854818
  C      -1.882854     -0.507050      4.337213
  C      -1.493998     -0.482496      2.835204
  C      -2.233780     -1.590629      2.102223
  O      -2.134258     -1.526026      0.649030
  C      -3.006755     -0.730809      0.023142
  N      -3.748315      0.124183      0.703605
  C      -4.653163      0.858142      0.012730
  N      -4.897596      0.825586     -1.285175
  C      -4.128700     -0.049828     -2.007336
  C      -4.314238     -0.176994     -3.403591
  C      -3.532597     -1.077841     -4.097695
  C      -2.572289     -1.842029     -3.397672
  N      -2.366095     -1.757105     -2.089496
  C      -3.132089     -0.872104     -1.403605
  C      -5.932130      0.165061      6.910707
  C      -5.697994     -1.334644      7.182980
  C      -6.726234     -2.208067      6.488016
  O      -6.431760     -2.221627      5.060052
  C      -7.357669     -1.811628      4.183615
  N      -8.517694     -1.315673      4.580839
  C      -9.407222     -0.969296      3.616850
  N      -9.279307     -1.096285      2.309327
  C      -8.078984     -1.602469      1.883596
  C      -7.832570     -1.784451      0.502192
  C      -6.607994     -2.287844      0.105458
  C      -5.642969     -2.599891      1.085532
  N      -5.829788     -2.445511      2.393523
  C      -7.036570     -1.963572      2.787361
  H      -4.456706      5.136135      3.522536
  H      -5.067398      3.535418      3.077442
  H      -6.183189      5.236889      5.388778
  H      -6.866487      5.211085      3.756887
  H      -8.090871      3.681990      5.380842
  H      -6.596689      2.694909      5.492592
  H     -11.807346      3.270360      4.128798
  H     -11.612494      1.645958     -0.209360
  H      -9.662425      1.008978     -1.694232
  H      -7.341294      1.232266     -0.808124
  H      -1.131012     -1.072833      4.917999
  H      -2.826699     -1.068538      4.437100
  H      -0.408162     -0.601160      2.702074
  H      -1.788278      0.491956      2.426145
  H      -3.297960     -1.582960      2.375811
  H      -1.809460     -2.576572      2.336560
  H      -5.258486      1.543999      0.615668
  H      -5.070641      0.440750     -3.890478
  H      -3.644027     -1.207291     -5.175317
  H      -1.947440     -2.558271     -3.940462
  H      -6.386241      0.277260      5.917673
  H      -6.656648      0.561964      7.650142
  H      -4.694133     -1.612021      6.823029
  H      -5.727341     -1.555890      8.261867
  H      -7.751466     -1.848298      6.644018
  H      -6.652779     -3.257000      6.808921
  H     -10.345729     -0.537992      3.981299
  H      -8.614751     -1.514810     -0.208843
  H      -6.372906     -2.438320     -0.949723
  H      -4.669297     -2.994901      0.779604
  N      -4.931448      0.843019      3.869649
  H      -5.542058      1.324148      3.207299
  H      -4.968183     -0.158167      3.666306
98
Coordinates from ORCA-job orca E -6478.355505208910
  N      -4.012955      3.620936      4.921045
  Mo     -3.803432      1.679356      5.340208
  N      -4.738498      0.986459      6.935597
  C      -4.120229      1.167942      8.244213
  C      -3.326690      2.470527      8.244502
  N      -2.525679      2.578484      6.997385
  C      -2.284963      3.989433      6.601906
  C      -3.525253      4.559771      5.927950
  C      -1.269429      1.786855      7.050243
  C      -0.889602      1.361338      5.632813
  N      -2.065092      0.792448      4.980554
  H      -3.256909      5.526722      5.459123
  H      -4.297908      4.790978      6.690538
  H      -1.458091      3.985232      5.877970
  H      -1.976633      4.594571      7.473956
  H      -0.065778      0.628103      5.681610
  H      -0.496655      2.231767      5.072447
  H      -1.475953      0.887837      7.647534
  H      -0.467678      2.362110      7.549068
  H      -4.888772      1.219270      9.038936
  H      -3.459290      0.316492      8.506014
  H      -4.029862      3.314938      8.248413
  H      -2.677546      2.556007      9.135087
  C      -4.888157      4.238756      3.931687
  C      -6.276440      4.621702      4.477137
  C      -7.137802      3.421429      4.819432
  O      -7.465023      2.724641      3.582096
  C      -8.732742      2.705405      3.160222
  N      -9.726863      3.078983      3.948715
  C     -10.986557      2.968812      3.455629
  N     -11.358378      2.530716      2.269530
  C     -10.336887      2.165977      1.431821
  C     -10.617983      1.694770      0.129634
  C      -9.564751      1.354541     -0.693021
  C      -8.241642      1.490366     -0.219976
  N      -7.935124      1.914635      1.001186
  C      -8.967455      2.240503      1.817452
  C      -1.902021     -0.500649      4.330405
  C      -1.532203     -0.432148      2.825984
  C      -2.233878     -1.560106      2.086492
  O      -2.127837     -1.490052      0.633582
  C      -3.020336     -0.719967      0.007185
  N      -3.789241      0.110710      0.686326
  C      -4.714658      0.819493     -0.004252
  N      -4.955504      0.780292     -1.302241
  C      -4.159205     -0.070165     -2.023884
  C      -4.340868     -0.202697     -3.420382
  C      -3.533513     -1.078999     -4.114812
  C      -2.549299     -1.813836     -3.414915
  N      -2.345868     -1.722388     -2.107205
  C      -3.138352     -0.861902     -1.420849
  C      -5.938952      0.164282      6.916028
  C      -5.679877     -1.331624      7.184887
  C      -6.696411     -2.223232      6.494596
  O      -6.407420     -2.236720      5.065047
  C      -7.331965     -1.822670      4.191131
  N      -8.488100     -1.318991      4.590994
  C      -9.378468     -0.967566      3.629271
  N      -9.254651     -1.092980      2.322009
  C      -8.058969     -1.609039      1.892462
  C      -7.818338     -1.793839      0.511032
  C      -6.600251     -2.310122      0.111009
  C      -5.636092     -2.633995      1.088742
  N      -5.817569     -2.477612      2.396190
  C      -7.017323     -1.980176      2.793396
  H      -4.399118      5.152427      3.539447
  H      -5.008113      3.556013      3.078466
  H      -6.161620      5.236811      5.384601
  H      -6.808720      5.242391      3.737017
  H      -8.066546      3.695460      5.331270
  H      -6.581261      2.693356      5.429067
  H     -11.782996      3.280091      4.139720
  H     -11.659379      1.612617     -0.183872
  H      -9.735656      0.979685     -1.703016
  H      -7.398734      1.238967     -0.872558
  H      -1.145120     -1.087348      4.884120
  H      -2.847148     -1.061594      4.422770
  H      -0.444032     -0.501387      2.677218
  H      -1.874592      0.535184      2.436504
  H      -3.299642     -1.582755      2.353723
  H      -1.783214     -2.534079      2.322628
  H      -5.343215      1.484206      0.599269
  H      -5.115614      0.392009     -3.907173
  H      -3.641546     -1.211563     -5.192471
  H      -1.902954     -2.510510     -3.957848
  H      -6.387597      0.272275      5.919982
  H      -6.674587      0.545760      7.652672
  H      -4.673154     -1.592107      6.819896
  H      -5.699586     -1.553811      8.263750
  H      -7.727154     -1.880701      6.653513
  H      -6.603652     -3.270094      6.817175
  H     -10.315199     -0.533003      3.996054
  H      -8.600453     -1.516097     -0.197534
  H      -6.368444     -2.461171     -0.944977
  H      -4.667320     -3.039564      0.780420
  N      -4.917744      0.860970      3.877060
  H      -5.524563      1.347843      3.216346
  H      -4.942166     -0.136085      3.655115
98
Coordinates from ORCA-job orca E -6478.356535137099
  N      -3.990651      3.628964      4.929874
  Mo     -3.803629      1.682885      5.357358
  N      -4.761040      1.004525      6.944322
  C      -4.153044      1.187016      8.258027
  C      -3.345595      2.481223      8.257795
  N      -2.532701      2.572239      7.016512
  C      -2.268055      3.979187      6.617576
  C      -3.495261      4.565641      5.933166
  C      -1.286402      1.765513      7.085140
  C      -0.898281      1.320992      5.676365
  N      -2.077723      0.770111      5.019159
  H      -3.210705      5.527622      5.463790
  H      -4.269480      4.809641      6.690923
  H      -1.435790      3.959366      5.899837
  H      -1.958781      4.582097      7.490792
  H      -0.091357      0.570181      5.743493
  H      -0.478846      2.176542      5.112021
  H      -1.508781      0.872755      7.686152
  H      -0.482705      2.334308      7.587337
  H      -4.926833      1.251429      9.047017
  H      -3.504012      0.330030      8.532192
  H      -4.040140      3.332787      8.249144
  H      -2.703143      2.566026      9.153265
  C      -4.851114      4.246758      3.931087
  C      -6.244555      4.638165      4.457615
  C      -7.122314      3.445032      4.782382
  O      -7.456313      2.765059      3.535955
  C      -8.731571      2.725451      3.138141
  N      -9.716118      3.095720      3.940573
  C     -10.983598      2.978412      3.469134
  N     -11.372291      2.530334      2.292093
  C     -10.362441      2.165515      1.441291
  C     -10.662663      1.682859      0.147620
  C      -9.622069      1.344026     -0.691994
  C      -8.291989      1.492947     -0.243337
  N      -7.967360      1.928232      0.968872
  C      -8.986192      2.251884      1.803116
  C      -1.925784     -0.502538      4.328953
  C      -1.573997     -0.395105      2.824657
  C      -2.233374     -1.542423      2.076609
  O      -2.122720     -1.461028      0.623539
  C      -3.033124     -0.715006     -0.005405
  N      -3.830600      0.091048      0.669483
  C      -4.770727      0.778225     -0.024242
  N      -4.999182      0.737761     -1.324059
  C      -4.174882     -0.087953     -2.042138
  C      -4.344303     -0.221388     -3.440478
  C      -3.511033     -1.073724     -4.132730
  C      -2.510583     -1.783843     -3.428879
  N      -2.317378     -1.689492     -2.120329
  C      -3.136961     -0.853632     -1.435816
  C      -5.947878      0.162493      6.918486
  C      -5.662427     -1.329514      7.183509
  C      -6.666813     -2.239035      6.498585
  O      -6.383167     -2.254595      5.068098
  C      -7.305424     -1.834552      4.196689
  N      -8.455909     -1.320199      4.599004
  C      -9.344304     -0.958795      3.639040
  N      -9.222424     -1.079963      2.331607
  C      -8.033520     -1.608448      1.898524
  C      -7.796245     -1.791545      0.516189
  C      -6.586668     -2.324871      0.113494
  C      -5.628181     -2.669059      1.090342
  N      -5.806836     -2.513971      2.398182
  C      -6.996850     -1.996529      2.797865
  H      -4.353453      5.155874      3.539482
  H      -4.967836      3.559845      3.080956
  H      -6.141093      5.244592      5.372198
  H      -6.757885      5.269060      3.713963
  H      -8.048439      3.724843      5.295987
  H      -6.574368      2.704421      5.385069
  H     -11.769476      3.293087      4.164390
  H     -11.708617      1.591424     -0.147851
  H      -9.808565      0.961884     -1.696423
  H      -7.459753      1.242699     -0.910109
  H      -1.163599     -1.107393      4.855946
  H      -2.872131     -1.061915      4.416369
  H      -0.485274     -0.413456      2.665290
  H      -1.964080      0.560602      2.450543
  H      -3.298831     -1.598858      2.338545
  H      -1.753603     -2.502827      2.311100
  H      -5.422385      1.421443      0.577725
  H      -5.131444      0.354042     -3.930281
  H      -3.609611     -1.206362     -5.211320
  H      -1.842500     -2.461338     -3.969797
  H      -6.395391      0.265828      5.921392
  H      -6.691233      0.528069      7.655637
  H      -4.653526     -1.572350      6.811996
  H      -5.671069     -1.552796      8.262472
  H      -7.702606     -1.913094      6.660019
  H      -6.555322     -3.283249      6.823928
  H     -10.277615     -0.519591      4.007041
  H      -8.575192     -1.500541     -0.190792
  H      -6.355960     -2.473651     -0.943416
  H      -4.666266     -3.089881      0.780498
  N      -4.903990      0.877564      3.872605
  H      -5.506122      1.369633      3.209997
  H      -4.914635     -0.115098      3.629500
98
Coordinates from ORCA-job orca E -6478.357451822291
  N      -3.970110      3.624540      4.929670
  Mo     -3.811810      1.679567      5.375517
  N      -4.786221      1.022144      6.961482
  C      -4.184896      1.209138      8.277271
  C      -3.360266      2.492259      8.272595
  N      -2.539305      2.562861      7.035544
  C      -2.253391      3.961597      6.626392
  C      -3.469510      4.560390      5.932418
  C      -1.304577      1.739600      7.117553
  C      -0.912495      1.278640      5.714254
  N      -2.095644      0.745607      5.050088
  H      -3.169017      5.515563      5.459364
  H      -4.243450      4.820984      6.684147
  H      -1.420034      3.923765      5.911103
  H      -1.937495      4.567456      7.495309
  H      -0.120868      0.512438      5.796081
  H      -0.470036      2.122483      5.148489
  H      -1.542981      0.855326      7.725343
  H      -0.494511      2.300947      7.619118
  H      -4.964701      1.289906      9.058998
  H      -3.549301      0.345732      8.562654
  H      -4.042981      3.353034      8.253829
  H      -2.722693      2.575422      9.171520
  C      -4.813547      4.248987      3.919492
  C      -6.210254      4.652437      4.432827
  C      -7.101344      3.463464      4.740078
  O      -7.443341      2.812213      3.481350
  C      -8.722127      2.751544      3.103638
  N      -9.702502      3.112051      3.915783
  C     -10.972524      2.975191      3.458171
  N     -11.369433      2.516278      2.287631
  C     -10.363139      2.157894      1.428232
  C     -10.670508      1.661951      0.140570
  C      -9.634751      1.329665     -0.706805
  C      -8.301978      1.496939     -0.271439
  N      -7.972009      1.945144      0.934302
  C      -8.985826      2.263593      1.774491
  C      -1.950249     -0.505537      4.321594
  C      -1.616139     -0.353235      2.819124
  C      -2.227580     -1.518286      2.058774
  O      -2.113649     -1.427385      0.606987
  C      -3.044133     -0.702354     -0.018795
  N      -3.861080      0.079075      0.662478
  C      -4.816912      0.750286     -0.024414
  N      -5.046220      0.715838     -1.324805
  C      -4.205059     -0.087869     -2.048645
  C      -4.374715     -0.217322     -3.447234
  C      -3.523834     -1.047277     -4.146069
  C      -2.505417     -1.738142     -3.449145
  N      -2.310534     -1.646788     -2.140743
  C      -3.147663     -0.834189     -1.449647
  C      -5.961067      0.162494      6.929995
  C      -5.652148     -1.324941      7.194805
  C      -6.643078     -2.252035      6.514627
  O      -6.361048     -2.269627      5.083527
  C      -7.283921     -1.846069      4.214155
  N      -8.431624     -1.327201      4.618705
  C      -9.320383     -0.963112      3.659750
  N      -9.201229     -1.084374      2.351822
  C      -8.015369     -1.619062      1.917128
  C      -7.782393     -1.806276      0.534509
  C      -6.576823     -2.345917      0.129333
  C      -5.617166     -2.691994      1.104438
  N      -5.793354     -2.534961      2.412565
  C      -6.979314     -2.010816      2.814399
  H      -4.305720      5.154477      3.532637
  H      -4.922646      3.560724      3.067950
  H      -6.107533      5.250716      5.352864
  H      -6.713201      5.295218      3.692555
  H      -8.024401      3.744583      5.258932
  H      -6.560619      2.707373      5.328908
  H     -11.754642      3.284382      4.159977
  H     -11.718548      1.555923     -0.142733
  H      -9.826008      0.937656     -1.706554
  H      -7.472123      1.251615     -0.942457
  H      -1.181881     -1.125830      4.820283
  H      -2.894895     -1.068379      4.401734
  H      -0.529173     -0.312883      2.650391
  H      -2.057436      0.586829      2.464221
  H      -3.292015     -1.611152      2.313824
  H      -1.717254     -2.462781      2.290979
  H      -5.478674      1.376487      0.583428
  H      -5.176003      0.342935     -3.932054
  H      -3.622218     -1.176748     -5.224888
  H      -1.823542     -2.397053     -3.996082
  H      -6.404709      0.258820      5.930480
  H      -6.713639      0.516611      7.662907
  H      -4.641621     -1.552099      6.817624
  H      -5.651538     -1.547456      8.274073
  H      -7.683892     -1.942516      6.675844
  H      -6.513103     -3.293515      6.841617
  H     -10.251139     -0.518526      4.029565
  H      -8.561718     -1.513890     -0.170253
  H      -6.349729     -2.497083     -0.927737
  H      -4.657808     -3.117244      0.793645
  N      -4.905966      0.879937      3.880845
  H      -5.509441      1.377807      3.224137
  H      -4.902198     -0.108301      3.622310
98
Coordinates from ORCA-job orca E -6478.358339150452
  N      -3.952586      3.627898      4.924034
  Mo     -3.822179      1.679487      5.380133
  N      -4.818739      1.045570      6.960270
  C      -4.223305      1.233842      8.278770
  C      -3.382051      2.505460      8.271049
  N      -2.550985      2.555273      7.039782
  C      -2.238250      3.946712      6.625574
  C      -3.439285      4.562716      5.920251
  C      -1.327342      1.716858      7.139036
  C      -0.931571      1.232864      5.744305
  N      -2.120164      0.716087      5.079542
  H      -3.118812      5.508331      5.441395
  H      -4.211496      4.844979      6.665913
  H      -1.400889      3.890105      5.916775
  H      -1.918999      4.550740      7.494438
  H      -0.158468      0.449252      5.844597
  H      -0.463966      2.058921      5.171515
  H      -1.579427      0.841589      7.754464
  H      -0.513872      2.273235      7.640302
  H      -5.006831      1.330026      9.055107
  H      -3.602287      0.363388      8.574566
  H      -4.054398      3.373867      8.238800
  H      -2.750994      2.589293      9.174184
  C      -4.784467      4.253702      3.906178
  C      -6.178105      4.679540      4.410179
  C      -7.087087      3.503666      4.720420
  O      -7.437315      2.852596      3.463875
  C      -8.720912      2.768349      3.109759
  N      -9.692602      3.121714      3.935363
  C     -10.967160      2.973252      3.495726
  N     -11.376959      2.506354      2.332280
  C     -10.379826      2.150327      1.461777
  C     -10.701663      1.646471      0.180354
  C      -9.675729      1.317128     -0.679479
  C      -8.337934      1.494169     -0.261412
  N      -7.994193      1.951573      0.937111
  C      -8.998908      2.268161      1.789044
  C      -1.982674     -0.517098      4.319272
  C      -1.660151     -0.331688      2.820656
  C      -2.221234     -1.513487      2.046045
  O      -2.105028     -1.403540      0.595106
  C      -3.049312     -0.696210     -0.030292
  N      -3.888905      0.059560      0.651191
  C      -4.851426      0.720399     -0.036421
  N      -5.069313      0.695383     -1.339078
  C      -4.209040     -0.086869     -2.062533
  C      -4.368241     -0.209873     -3.463227
  C      -3.499416     -1.019697     -4.162718
  C      -2.472164     -1.696444     -3.464508
  N      -2.286107     -1.609739     -2.154772
  C      -3.141489     -0.818054     -1.462926
  C      -5.982240      0.169446      6.927599
  C      -5.651750     -1.313300      7.192978
  C      -6.629692     -2.258189      6.519286
  O      -6.347204     -2.288261      5.088541
  C      -7.264044     -1.860256      4.215212
  N      -8.407285     -1.327535      4.613843
  C      -9.287114     -0.955919      3.649700
  N      -9.161452     -1.077620      2.342291
  C      -7.981234     -1.628413      1.913897
  C      -7.742628     -1.819198      0.532507
  C      -6.545569     -2.382644      0.135001
  C      -5.599916     -2.748188      1.116178
  N      -5.781085     -2.585449      2.422875
  C      -6.957828     -2.036517      2.817210
  H      -4.265884      5.149625      3.510622
  H      -4.901294      3.556571      3.062291
  H      -6.073891      5.279309      5.329326
  H      -6.666229      5.328315      3.665019
  H      -8.005495      3.800900      5.238044
  H      -6.556810      2.742101      5.313349
  H     -11.741764      3.280598      4.206250
  H     -11.752605      1.532934     -0.089212
  H      -9.878626      0.921217     -1.675773
  H      -7.516557      1.249186     -0.942032
  H      -1.210785     -1.151047      4.794830
  H      -2.927577     -1.080218      4.394861
  H      -0.576371     -0.237830      2.651827
  H      -2.147410      0.589405      2.476861
  H      -3.283294     -1.646880      2.294513
  H      -1.678544     -2.441213      2.271336
  H      -5.528977      1.327800      0.572483
  H      -5.176727      0.339017     -3.949064
  H      -3.589853     -1.144444     -5.242730
  H      -1.775794     -2.339244     -4.011895
  H      -6.427600      0.260482      5.928468
  H      -6.738735      0.512817      7.661406
  H      -4.639697     -1.526565      6.811073
  H      -5.641927     -1.533080      8.272914
  H      -7.674772     -1.961985      6.677052
  H      -6.484841     -3.295007      6.854873
  H     -10.215217     -0.503669      4.013950
  H      -8.512077     -1.512505     -0.177376
  H      -6.313356     -2.536692     -0.920377
  H      -4.647780     -3.193215      0.811445
  N      -4.907816      0.900715      3.866753
  H      -5.503877      1.405853      3.209128
  H      -4.891236     -0.081035      3.586141
98
Coordinates from ORCA-job orca E -6478.359127219638
  N      -3.935005      3.620064      4.912652
  Mo     -3.830413      1.674576      5.389370
  N      -4.845183      1.065876      6.968193
  C      -4.253718      1.259851      8.287544
  C      -3.396823      2.520464      8.271513
  N      -2.558089      2.547663      7.044112
  C      -2.223312      3.930333      6.617737
  C      -3.411503      4.557496      5.900484
  C      -1.345420      1.695293      7.159119
  C      -0.947981      1.188154      5.773184
  N      -2.140831      0.683067      5.106869
  H      -3.073548      5.492024      5.411783
  H      -4.181992      4.861573      6.639549
  H      -1.383945      3.853348      5.912986
  H      -1.898241      4.537965      7.481988
  H      -0.190817      0.391232      5.890677
  H      -0.459337      1.997547      5.193892
  H      -1.609390      0.831149      7.784950
  H      -0.527769      2.248203      7.656944
  H      -5.040355      1.372860      9.058678
  H      -3.645018      0.384362      8.595005
  H      -4.058527      3.396614      8.226620
  H      -2.769806      2.606122      9.177241
  C      -4.755297      4.245479      3.885343
  C      -6.145638      4.691740      4.379895
  C      -7.072724      3.531967      4.691646
  O      -7.432959      2.887580      3.434039
  C      -8.720196      2.784012      3.098040
  N      -9.685378      3.128560      3.934250
  C     -10.963363      2.967281      3.508637
  N     -11.381955      2.495122      2.350248
  C     -10.391185      2.145289      1.469724
  C     -10.722342      1.637305      0.192395
  C      -9.702655      1.313733     -0.677301
  C      -8.362300      1.498780     -0.271938
  N      -8.009863      1.962113      0.921825
  C      -9.008421      2.275548      1.782207
  C      -2.005768     -0.532834      4.318920
  C      -1.700132     -0.311957      2.823178
  C      -2.210314     -1.508052      2.035497
  O      -2.096464     -1.376858      0.586207
  C      -3.063468     -0.695367     -0.032676
  N      -3.936870      0.013809      0.656371
  C      -4.916690      0.654154     -0.026635
  N      -5.123462      0.646515     -1.331429
  C      -4.231976     -0.093105     -2.062160
  C      -4.378629     -0.199235     -3.465700
  C      -3.478180     -0.966973     -4.172149
  C      -2.431550     -1.618167     -3.478410
  N      -2.255888     -1.545634     -2.166609
  C      -3.142647     -0.795913     -1.467504
  C      -5.997070      0.174683      6.933221
  C      -5.647435     -1.303634      7.199518
  C      -6.612965     -2.265014      6.531482
  O      -6.330057     -2.306069      5.100733
  C      -7.242593     -1.871359      4.226058
  N      -8.379860     -1.325267      4.623504
  C      -9.254345     -0.943616      3.658789
  N      -9.127524     -1.063765      2.351380
  C      -7.954403     -1.629609      1.924342
  C      -7.715659     -1.819561      0.543042
  C      -6.527720     -2.401715      0.146402
  C      -5.591445     -2.786781      1.128371
  N      -5.771613     -2.623750      2.435103
  C      -6.938848     -2.055095      2.828516
  H      -4.226673      5.132682      3.483872
  H      -4.875685      3.541953      3.048229
  H      -6.037143      5.294680      5.296118
  H      -6.620958      5.343750      3.629871
  H      -7.986403      3.845807      5.208138
  H      -6.557470      2.761570      5.286332
  H     -11.733740      3.266990      4.227105
  H     -11.775173      1.516257     -0.066326
  H      -9.913244      0.915735     -1.671244
  H      -7.545282      1.255824     -0.958772
  H      -1.227715     -1.175859      4.772511
  H      -2.948489     -1.100761      4.390964
  H      -0.622981     -0.162786      2.650884
  H      -2.236071      0.588478      2.497097
  H      -3.267030     -1.687991      2.279809
  H      -1.630386     -2.415428      2.251817
  H      -5.617209      1.230238      0.587541
  H      -5.203163      0.328640     -3.947737
  H      -3.558281     -1.077984     -5.254484
  H      -1.710085     -2.227416     -4.031567
  H      -6.442203      0.260296      5.933388
  H      -6.759545      0.508280      7.665703
  H      -4.633639     -1.503632      6.814523
  H      -5.630795     -1.521075      8.279936
  H      -7.661763     -1.980574      6.686275
  H      -6.454905     -3.297232      6.875164
  H     -10.178702     -0.484594      4.023101
  H      -8.477740     -1.497863     -0.167639
  H      -6.295331     -2.555595     -0.908900
  H      -4.646783     -3.247730      0.823866
  N      -4.910762      0.906261      3.862482
  H      -5.509400      1.414527      3.208978
  H      -4.877086     -0.069311      3.560747
98
Coordinates from ORCA-job orca E -6478.359802840829
  N      -3.919288      3.610846      4.891498
  Mo     -3.843809      1.668335      5.385386
  N      -4.877116      1.088932      6.964171
  C      -4.290383      1.288832      8.285048
  C      -3.416294      2.537114      8.260788
  N      -2.568908      2.540121      7.038984
  C      -2.210725      3.912708      6.599340
  C      -3.384938      4.550791      5.870265
  C      -1.369182      1.672488      7.171762
  C      -0.969137      1.141942      5.795995
  N      -2.164738      0.649743      5.125005
  H      -3.028969      5.473031      5.370861
  H      -4.153035      4.878432      6.601816
  H      -1.370365      3.814148      5.898136
  H      -1.878208      4.524924      7.457538
  H      -0.228968      0.332276      5.931215
  H      -0.459057      1.934654      5.212289
  H      -1.647534      0.820635      7.807762
  H      -0.546987      2.220757      7.666415
  H      -5.080818      1.421674      9.049230
  H      -3.696345      0.407864      8.605598
  H      -4.066044      3.421796      8.203650
  H      -2.794302      2.623703      9.169887
  C      -4.731570      4.237687      3.858647
  C      -6.113867      4.707800      4.350856
  C      -7.059635      3.567240      4.677139
  O      -7.432699      2.917727      3.426654
  C      -8.723234      2.793477      3.113425
  N      -9.678562      3.132017      3.962860
  C     -10.961327      2.957190      3.555635
  N     -11.392233      2.481221      2.403745
  C     -10.411098      2.135802      1.510039
  C     -10.756129      1.626960      0.236948
  C      -9.745476      1.307931     -0.645076
  C      -8.400174      1.494609     -0.255175
  N      -8.034387      1.959962      0.933858
  C      -9.025292      2.273777      1.804176
  C      -2.030543     -0.551782      4.314141
  C      -1.732991     -0.302920      2.822090
  C      -2.195375     -1.511075      2.023219
  O      -2.079610     -1.361998      0.576326
  C      -3.057526     -0.695428     -0.040697
  N      -3.958391     -0.023413      0.651235
  C      -4.940130      0.610563     -0.033294
  N      -5.130847      0.621533     -1.340629
  C      -4.216957     -0.088491     -2.073323
  C      -4.349462     -0.181141     -3.479177
  C      -3.426324     -0.920676     -4.186952
  C      -2.371326     -1.555813     -3.492369
  N      -2.207948     -1.494997     -2.177903
  C      -3.117800     -0.774327     -1.477259
  C      -6.017232      0.183149      6.927715
  C      -5.651264     -1.289633      7.200998
  C      -6.607753     -2.267882      6.543401
  O      -6.326434     -2.322967      5.112207
  C      -7.234479     -1.883490      4.235362
  N      -8.367229     -1.326459      4.629324
  C      -9.236138     -0.937904      3.662277
  N      -9.106850     -1.058559      2.355605
  C      -7.938678     -1.636462      1.932101
  C      -7.697206     -1.826440      0.551395
  C      -6.513918     -2.417660      0.157615
  C      -5.585967     -2.815680      1.142536
  N      -5.768255     -2.654553      2.448837
  C      -6.930051     -2.073367      2.838877
  H      -4.191949      5.113807      3.447760
  H      -4.860256      3.527930      3.028788
  H      -5.993623      5.319722      5.259608
  H      -6.581156      5.358485      3.594335
  H      -7.966842      3.902799      5.190958
  H      -6.559018      2.793836      5.281324
  H     -11.724775      3.249769      4.284061
  H     -11.811889      1.502668     -0.008679
  H      -9.967014      0.911729     -1.637233
  H      -7.589678      1.250649     -0.950067
  H      -1.251547     -1.204538      4.752980
  H      -2.973755     -1.120933      4.379571
  H      -0.663300     -0.104975      2.652158
  H      -2.310298      0.576706      2.508043
  H      -3.246752     -1.730995      2.261313
  H      -1.584320     -2.399666      2.234376
  H      -5.655160      1.168204      0.580983
  H      -5.181501      0.333539     -3.961867
  H      -3.495013     -1.020858     -5.271297
  H      -1.632112     -2.142220     -4.046696
  H      -6.461209      0.260579      5.926760
  H      -6.786084      0.510262      7.656737
  H      -4.636782     -1.480898      6.813319
  H      -5.627312     -1.500041      8.282604
  H      -7.659083     -1.993085      6.696418
  H      -6.438170     -3.294766      6.897416
  H     -10.157603     -0.471920      4.025156
  H      -8.451504     -1.493396     -0.162470
  H      -6.277966     -2.567702     -0.898358
  H      -4.644144     -3.282795      0.839081
  N      -4.921311      0.915493      3.847110
  H      -5.519061      1.429847      3.198075
  H      -4.869001     -0.052203      3.522946
98
Coordinates from ORCA-job orca E -6478.360378819151
  N      -3.900568      3.605072      4.878379
  Mo     -3.851830      1.666756      5.387245
  N      -4.902140      1.115553      6.965534
  C      -4.317618      1.319722      8.286692
  C      -3.426186      2.554895      8.254162
  N      -2.571558      2.532624      7.037352
  C      -2.189446      3.895010      6.586505
  C      -3.349741      4.546391      5.846758
  C      -1.386424      1.646532      7.184664
  C      -0.989106      1.091382      5.817436
  N      -2.190127      0.613257      5.145444
  H      -2.973711      5.454618      5.336042
  H      -4.113325      4.899521      6.571188
  H      -1.348260      3.775095      5.889284
  H      -1.848611      4.509215      7.439944
  H      -0.266792      0.268156      5.967539
  H      -0.458217      1.866216      5.227458
  H      -1.679988      0.808118      7.831931
  H      -0.557145      2.188453      7.674915
  H      -5.109056      1.470656      9.046716
  H      -3.736654      0.433815      8.617420
  H      -4.062570      3.448508      8.184304
  H      -2.808174      2.641650      9.166045
  C      -4.701574      4.234996      3.837543
  C      -6.079143      4.726576      4.320272
  C      -7.045127      3.603521      4.646898
  O      -7.417800      2.951230      3.397202
  C      -8.708379      2.801769      3.094798
  N      -9.662495      3.123812      3.951393
  C     -10.945420      2.928578      3.552992
  N     -11.376550      2.446830      2.403947
  C     -10.396985      2.114934      1.503980
  C     -10.743031      1.597613      0.234391
  C      -9.733722      1.288493     -0.652079
  C      -8.388875      1.493634     -0.270270
  N      -8.022430      1.967558      0.915172
  C      -9.011842      2.272942      1.789394
  C      -2.064753     -0.576495      4.315906
  C      -1.769446     -0.302675      2.828733
  C      -2.194143     -1.511325      2.010443
  O      -2.083650     -1.333778      0.566513
  C      -3.079925     -0.681141     -0.037734
  N      -4.006456     -0.057928      0.667840
  C      -5.001440      0.567778     -0.005865
  N      -5.187022      0.606712     -1.313543
  C      -4.251000     -0.059626     -2.060031
  C      -4.379373     -0.126225     -3.467479
  C      -3.433021     -0.823395     -4.189235
  C      -2.359506     -1.440191     -3.506687
  N      -2.199111     -1.402745     -2.190219
  C      -3.132503     -0.725516     -1.475873
  C      -6.034125      0.199581      6.928882
  C      -5.653995     -1.268141      7.209728
  C      -6.601174     -2.264138      6.565094
  O      -6.322088     -2.339973      5.134756
  C      -7.224092     -1.899918      4.253270
  N      -8.350525     -1.326242      4.639772
  C      -9.212731     -0.935281      3.667565
  N      -9.079567     -1.064588      2.362449
  C      -7.918661     -1.662066      1.946659
  C      -7.674325     -1.863688      0.568688
  C      -6.499484     -2.476347      0.183382
  C      -5.583137     -2.885807      1.173933
  N      -5.767570     -2.714176      2.477583
  C      -6.920091     -2.109096      2.859376
  H      -4.147430      5.100612      3.422947
  H      -4.836754      3.522120      3.010577
  H      -5.955064      5.342168      5.226237
  H      -6.532279      5.379667      3.556476
  H      -7.951286      3.957052      5.150429
  H      -6.565013      2.826587      5.263363
  H     -11.708233      3.207503      4.286837
  H     -11.798377      1.458341     -0.004672
  H      -9.956169      0.886175     -1.641728
  H      -7.578634      1.256268     -0.967862
  H      -1.289558     -1.241548      4.743485
  H      -3.011518     -1.141183      4.373615
  H      -0.705629     -0.071023      2.665825
  H      -2.372512      0.564222      2.526487
  H      -3.237719     -1.768502      2.244365
  H      -1.555673     -2.383326      2.207664
  H      -5.736774      1.089068      0.618097
  H      -5.226681      0.373152     -3.940640
  H      -3.497875     -0.903081     -5.275547
  H      -1.602027     -1.992175     -4.072313
  H      -6.478292      0.270394      5.927563
  H      -6.807271      0.521510      7.655841
  H      -4.638238     -1.451942      6.821571
  H      -5.624994     -1.469934      8.292740
  H      -7.655153     -1.998158      6.715509
  H      -6.420534     -3.283702      6.933003
  H     -10.130789     -0.458428      4.025406
  H      -8.418558     -1.520434     -0.150028
  H      -6.260168     -2.633533     -0.870203
  H      -4.648069     -3.370555      0.876243
  N      -4.927188      0.927183      3.842780
  H      -5.529064      1.446358      3.201313
  H      -4.859652     -0.031814      3.497372
98
Coordinates from ORCA-job orca E -6478.360925802715
  N      -3.889573      3.599048      4.856795
  Mo     -3.865978      1.664810      5.376081
  N      -4.930389      1.140736      6.955559
  C      -4.349690      1.350555      8.277565
  C      -3.442361      2.573807      8.237183
  N      -2.580578      2.527254      7.026627
  C      -2.175830      3.878579      6.563662
  C      -3.322444      4.541637      5.814309
  C      -1.410967      1.623867      7.189534
  C      -1.014096      1.045617      5.832287
  N      -2.217685      0.581289      5.156330
  H      -2.928095      5.435647      5.292431
  H      -4.080589      4.919611      6.531798
  H      -1.334876      3.738159      5.869785
  H      -1.826216      4.495998      7.411287
  H      -0.308685      0.210734      5.998235
  H      -0.463703      1.803564      5.238127
  H      -1.721618      0.799468      7.846634
  H      -0.574967      2.158557      7.676258
  H      -5.142799      1.519875      9.032026
  H      -3.781290      0.460899      8.619485
  H      -4.065826      3.475445      8.155649
  H      -2.829025      2.660753      9.152292
  C      -4.684232      4.234331      3.813804
  C      -6.053731      4.745577      4.297048
  C      -7.034856      3.639223      4.631428
  O      -7.413736      2.984487      3.384816
  C      -8.705704      2.811110      3.101636
  N      -9.652847      3.117494      3.972313
  C     -10.938352      2.904920      3.590345
  N     -11.377259      2.422702      2.444922
  C     -10.405190      2.104772      1.531153
  C     -10.760262      1.586397      0.264576
  C      -9.757987      1.285379     -0.632310
  C      -8.410926      1.499209     -0.264325
  N      -8.035670      1.977936      0.916475
  C      -9.018602      2.276595      1.800272
  C      -2.095180     -0.599509      4.314270
  C      -1.796880     -0.312223      2.831329
  C      -2.183520     -1.527280      2.005462
  O      -2.076169     -1.334635      0.564218
  C      -3.083270     -0.692313     -0.033531
  N      -4.025625     -0.100914      0.678692
  C      -5.023229      0.524545      0.008967
  N      -5.199305      0.587697     -1.299050
  C      -4.248286     -0.048725     -2.052294
  C      -4.364093     -0.087203     -3.461267
  C      -3.398736     -0.751657     -4.189787
  C      -2.320222     -1.362465     -3.511674
  N      -2.170930     -1.350508     -2.192937
  C      -3.123598     -0.707150     -1.472375
  C      -6.051988      0.212262      6.919063
  C      -5.654895     -1.248837      7.209262
  C      -6.591597     -2.261971      6.575725
  O      -6.312285     -2.354242      5.146438
  C      -7.209935     -1.912933      4.262126
  N      -8.331763     -1.329113      4.645802
  C      -9.190783     -0.934819      3.671919
  N      -9.056606     -1.067548      2.367651
  C      -7.900806     -1.676396      1.954140
  C      -7.656797     -1.881977      0.576706
  C      -6.487375     -2.507214      0.194415
  C      -5.575531     -2.923550      1.186809
  N      -5.760114     -2.748386      2.489512
  C      -6.907146     -2.130887      2.868901
  H      -4.117748      5.089540      3.395030
  H      -4.827713      3.520736      2.989038
  H      -5.920151      5.365143      5.199055
  H      -6.500363      5.398663      3.529355
  H      -7.936971      4.009723      5.130418
  H      -6.568999      2.861039      5.257654
  H     -11.695357      3.168450      4.336803
  H     -11.816684      1.437709      0.037161
  H      -9.987338      0.880919     -1.619573
  H      -7.605581      1.263758     -0.967898
  H      -1.324862     -1.272860      4.736787
  H      -3.044817     -1.159735      4.364038
  H      -0.739221     -0.049708      2.675882
  H      -2.422643      0.538757      2.531330
  H      -3.219027     -1.816057      2.236426
  H      -1.520013     -2.381360      2.197943
  H      -5.769727      1.024745      0.635608
  H      -5.215974      0.406885     -3.930790
  H      -3.453165     -0.809383     -5.277960
  H      -1.547669     -1.887725     -4.082403
  H      -6.494096      0.273147      5.916333
  H      -6.831597      0.528369      7.641673
  H      -4.637310     -1.424295      6.821484
  H      -5.621365     -1.441819      8.293626
  H      -7.648716     -2.004934      6.722692
  H      -6.400083     -3.274678      6.956099
  H     -10.106045     -0.450779      4.028483
  H      -8.395872     -1.531211     -0.143750
  H      -6.248341     -2.668346     -0.857858
  H      -4.644510     -3.418212      0.890874
  N      -4.942774      0.937853      3.826703
  H      -5.555580      1.462894      3.200460
  H      -4.853097     -0.009011      3.453934
98
Coordinates from ORCA-job orca E -6478.361410193122
  N      -3.876681      3.593893      4.831796
  Mo     -3.877726      1.663589      5.361095
  N      -4.956668      1.167905      6.941007
  C      -4.380644      1.385302      8.263702
  C      -3.457959      2.596633      8.214482
  N      -2.588625      2.522600      7.011061
  C      -2.158259      3.861654      6.536218
  C      -3.290302      4.537621      5.776413
  C      -1.436489      1.600830      7.192626
  C      -1.039900      0.998879      5.845979
  N      -2.246028      0.548788      5.165307
  H      -2.877458      5.416181      5.242663
  H      -4.041234      4.941428      6.487525
  H      -1.316463      3.699971      5.847724
  H      -1.801354      4.481410      7.379132
  H      -0.352082      0.152713      6.028630
  H      -0.469706      1.738820      5.247464
  H      -1.766923      0.791143      7.858129
  H      -0.593894      2.126399      7.677990
  H      -5.174909      1.572598      9.012769
  H      -3.823994      0.492904      8.617705
  H      -4.068636      3.505348      8.117147
  H      -2.850208      2.686592      9.133111
  C      -4.666539      4.232915      3.787490
  C      -6.027530      4.765811      4.271289
  C      -7.022794      3.676352      4.617662
  O      -7.405519      3.012207      3.377590
  C      -8.698025      2.813626      3.114052
  N      -9.637834      3.107637      3.996338
  C     -10.925372      2.877337      3.630602
  N     -11.372549      2.389911      2.490682
  C     -10.408056      2.082719      1.565952
  C     -10.771707      1.559820      0.303584
  C      -9.775564      1.268327     -0.603962
  C      -8.426174      1.494580     -0.250112
  N      -8.043570      1.980405      0.925250
  C      -9.019867      2.270935      1.818898
  C      -2.128963     -0.625946      4.314229
  C      -1.815461     -0.328240      2.837231
  C      -2.173364     -1.543896      1.998895
  O      -2.066800     -1.332463      0.560838
  C      -3.081089     -0.694376     -0.029740
  N      -4.037609     -0.133429      0.688651
  C      -5.039627      0.492422      0.024542
  N      -5.205368      0.583215     -1.282996
  C      -4.239928     -0.022965     -2.043168
  C      -4.343602     -0.030052     -3.453289
  C      -3.362180     -0.663160     -4.188634
  C      -2.280628     -1.273312     -3.515405
  N      -2.142581     -1.290432     -2.195428
  C      -3.110932     -0.678532     -1.468745
  C      -6.070655      0.229766      6.906784
  C      -5.661310     -1.226124      7.207900
  C      -6.590883     -2.254320      6.588060
  O      -6.314240     -2.365335      5.159885
  C      -7.208354     -1.926611      4.270927
  N      -8.326562     -1.332248      4.648792
  C      -9.181067     -0.937806      3.671070
  N      -9.044398     -1.077877      2.368055
  C      -7.893351     -1.698889      1.960037
  C      -7.647705     -1.911642      0.583718
  C      -6.483227     -2.548681      0.207091
  C      -5.578154     -2.970126      1.204175
  N      -5.764771     -2.787840      2.505730
  C      -6.906160     -2.157445      2.879575
  H      -4.088737      5.077185      3.362211
  H      -4.821404      3.516712      2.967737
  H      -5.884031      5.390781      5.167790
  H      -6.467753      5.417495      3.498929
  H      -7.921878      4.064557      5.108958
  H      -6.569701      2.901529      5.257402
  H     -11.675269      3.131611      4.386378
  H     -11.829225      1.400197      0.087345
  H     -10.011441      0.861867     -1.588593
  H      -7.624104      1.263954     -0.959559
  H      -1.369068     -1.311131      4.737138
  H      -3.084926     -1.176581      4.350795
  H      -0.759836     -0.049175      2.696727
  H      -2.449298      0.515611      2.534013
  H      -3.202900     -1.857854      2.224572
  H      -1.491893     -2.385112      2.184506
  H      -5.797088      0.971430      0.654467
  H      -5.198701      0.462425     -3.918732
  H      -3.406705     -0.696288     -5.278219
  H      -1.495009     -1.773006     -4.090929
  H      -6.510684      0.280945      5.902752
  H      -6.855124      0.542636      7.625653
  H      -4.643125     -1.397274      6.819872
  H      -5.623471     -1.408531      8.294043
  H      -7.649482     -2.003702      6.733978
  H      -6.390498     -3.260270      6.981818
  H     -10.093477     -0.445778      4.022989
  H      -8.380831     -1.555694     -0.140613
  H      -6.242013     -2.714341     -0.844428
  H      -4.650827     -3.473232      0.912633
  N      -4.954505      0.947381      3.805885
  H      -5.579509      1.476529      3.195034
  H      -4.847984      0.011993      3.408926
98
Coordinates from ORCA-job orca E -6478.361862032033
  N      -3.862924      3.587316      4.802701
  Mo     -3.892823      1.662056      5.345296
  N      -4.985144      1.196546      6.926635
  C      -4.415610      1.425010      8.249910
  C      -3.476151      2.622884      8.189873
  N      -2.599322      2.516473      6.994599
  C      -2.139787      3.840645      6.505853
  C      -3.255911      4.530715      5.735242
  C      -1.468497      1.572941      7.196431
  C      -1.071139      0.949554      5.860137
  N      -2.278592      0.516743      5.170760
  H      -2.824142      5.393235      5.190451
  H      -3.998219      4.960481      6.440325
  H      -1.297868      3.655181      5.823463
  H      -1.774278      4.462936      7.343374
  H      -0.402182      0.091555      6.058542
  H      -0.479805      1.671901      5.260413
  H      -1.824008      0.778283      7.866895
  H      -0.619095      2.085114      7.684360
  H      -5.211540      1.632479      8.991949
  H      -3.871630      0.530945      8.619390
  H      -4.071881      3.539127      8.073234
  H      -2.874387      2.717509      9.112065
  C      -4.648580      4.233721      3.758890
  C      -6.000262      4.787542      4.245710
  C      -7.008761      3.713331      4.602107
  O      -7.396554      3.041614      3.367252
  C      -8.688470      2.814270      3.125777
  N      -9.619501      3.089822      4.023556
  C     -10.908930      2.837496      3.677925
  N     -11.365715      2.346329      2.543484
  C     -10.410288      2.055752      1.603843
  C     -10.784120      1.529176      0.346061
  C      -9.797082      1.247918     -0.574238
  C      -8.445782      1.487600     -0.237885
  N      -8.053997      1.981178      0.931222
  C      -9.020987      2.262699      1.837203
  C      -2.167956     -0.652491      4.311168
  C      -1.830590     -0.350010      2.840724
  C      -2.168993     -1.564977      1.992059
  O      -2.061623     -1.339008      0.556531
  C      -3.078479     -0.699463     -0.028755
  N      -4.043866     -0.159620      0.693653
  C      -5.045368      0.472376      0.033873
  N      -5.201111      0.588818     -1.272708
  C      -4.224965      0.005787     -2.037649
  C      -4.314765      0.031341     -3.448376
  C      -3.320628     -0.576061     -4.188511
  C      -2.241333     -1.193532     -3.518702
  N      -2.116433     -1.241400     -2.197995
  C      -3.096767     -0.654327     -1.467356
  C      -6.091386      0.248538      6.894727
  C      -5.667996     -1.200706      7.209498
  C      -6.586726     -2.244958      6.600836
  O      -6.308247     -2.370733      5.174465
  C      -7.200702     -1.936026      4.282274
  N      -8.318810     -1.339154      4.657533
  C      -9.172920     -0.946908      3.678373
  N      -9.035503     -1.090905      2.375796
  C      -7.885545     -1.715889      1.970065
  C      -7.640586     -1.933029      0.594096
  C      -6.477890     -2.574648      0.219483
  C      -5.573444     -2.995947      1.218303
  N      -5.760039     -2.809264      2.519351
  C      -6.899442     -2.173695      2.891453
  H      -4.059380      5.067918      3.329576
  H      -4.816267      3.517848      2.941609
  H      -5.845485      5.415375      5.138397
  H      -6.435234      5.440180      3.470968
  H      -7.904715      4.117003      5.087081
  H      -6.565912      2.941212      5.252938
  H     -11.650479      3.076922      4.447471
  H     -11.842256      1.356767      0.143773
  H     -10.041344      0.837888     -1.555456
  H      -7.649461      1.261763     -0.955027
  H      -1.423446     -1.352024      4.738449
  H      -3.132541     -1.188674      4.330879
  H      -0.773785     -0.065958      2.718016
  H      -2.461135      0.493340      2.528925
  H      -3.194405     -1.896353      2.212906
  H      -1.475648     -2.397653      2.172819
  H      -5.810958      0.934557      0.665933
  H      -5.168859      0.528288     -3.911003
  H      -3.353799     -0.583117     -5.279075
  H      -1.445420     -1.672507     -4.097350
  H      -6.526473      0.287397      5.888145
  H      -6.882528      0.558847      7.607316
  H      -4.647663     -1.365746      6.823828
  H      -5.628501     -1.371939      8.297550
  H      -7.648110     -2.003300      6.743412
  H      -6.376068     -3.243770      7.007045
  H     -10.084760     -0.451995      4.027975
  H      -8.373167     -1.577338     -0.131013
  H      -6.237430     -2.744590     -0.831658
  H      -4.647835     -3.503389      0.928737
  N      -4.972026      0.952976      3.788572
  H      -5.611771      1.485598      3.196521
  H      -4.853768      0.028594      3.369970
98
Coordinates from ORCA-job orca E -6478.362289235800
  N      -3.849664      3.580405      4.774287
  Mo     -3.905342      1.660100      5.330868
  N      -5.009616      1.223772      6.913386
  C      -4.446496      1.465425      8.236403
  C      -3.491529      2.650199      8.164163
  N      -2.607904      2.511116      6.977215
  C      -2.119876      3.819536      6.474687
  C      -3.220571      4.522873      5.693586
  C      -1.497830      1.547698      7.198843
  C      -1.099478      0.904687      5.872261
  N      -2.308067      0.487427      5.175535
  H      -2.771009      5.368372      5.136843
  H      -3.952348      4.978395      6.393564
  H      -1.278667      3.610056      5.798702
  H      -1.745827      4.444193      7.306793
  H      -0.448274      0.036183      6.085000
  H      -0.488969      1.610162      5.271682
  H      -1.877016      0.767140      7.872599
  H      -0.642862      2.046869      7.690515
  H      -5.244005      1.692261      8.971038
  H      -3.914446      0.570934      8.622214
  H      -4.073133      3.572222      8.025688
  H      -2.895580      2.752409      9.089246
  C      -4.631825      4.233366      3.731409
  C      -5.974197      4.807512      4.220903
  C      -6.995349      3.748519      4.586775
  O      -7.386591      3.070333      3.356290
  C      -8.675859      2.811442      3.135378
  N      -9.599590      3.065180      4.046529
  C     -10.888289      2.788830      3.716724
  N     -11.350834      2.293868      2.586084
  C     -10.402049      2.023501      1.633859
  C     -10.781124      1.495762      0.378303
  C      -9.799922      1.233223     -0.554162
  C      -8.448404      1.490895     -0.231416
  N      -8.052817      1.987996      0.934446
  C      -9.013853      2.253297      1.851421
  C      -2.202363     -0.676826      4.309608
  C      -1.837789     -0.368797      2.847092
  C      -2.161686     -1.580403      1.987334
  O      -2.056349     -1.339331      0.554133
  C      -3.077704     -0.699332     -0.024267
  N      -4.052771     -0.183378      0.702781
  C      -5.057385      0.451029      0.049224
  N      -5.206431      0.592016     -1.255549
  C      -4.218827      0.035334     -2.025879
  C      -4.297861      0.092732     -3.436477
  C      -3.290846     -0.485842     -4.182361
  C      -2.210364     -1.107538     -3.518076
  N      -2.095563     -1.185242     -2.197753
  C      -3.087615     -0.625287     -1.461895
  C      -6.108721      0.266453      6.885244
  C      -5.674626     -1.177412      7.211059
  C      -6.585022     -2.234858      6.613476
  O      -6.308671     -2.373321      5.188009
  C      -7.202350     -1.944809      4.293657
  N      -8.321470     -1.347720      4.666329
  C      -9.175973     -0.960769      3.685611
  N      -9.038368     -1.110193      2.383276
  C      -7.888571     -1.737084      1.980553
  C      -7.644309     -1.961534      0.605318
  C      -6.482437     -2.605753      0.233122
  C      -5.578390     -3.023300      1.234001
  N      -5.764670     -2.829575      2.534327
  C      -6.902598     -2.190360      2.903939
  H      -4.033370      5.058347      3.297295
  H      -4.813250      3.517078      2.917693
  H      -5.808504      5.437497      5.109892
  H      -6.403198      5.461669      3.444337
  H      -7.888515      4.167453      5.064204
  H      -6.563177      2.979227      5.248115
  H     -11.623475      3.010722      4.497448
  H     -11.838679      1.307702      0.186972
  H     -10.048986      0.823991     -1.534274
  H      -7.654722      1.278094     -0.956017
  H      -1.474384     -1.390290      4.742314
  H      -3.174936     -1.198202      4.311203
  H      -0.778737     -0.085139      2.743911
  H      -2.459896      0.477318      2.526003
  H      -3.182689     -1.926400      2.204526
  H      -1.458434     -2.406217      2.160689
  H      -5.830517      0.894951      0.684732
  H      -5.153543      0.591329     -3.894742
  H      -3.315073     -0.466935     -5.273096
  H      -1.404320     -1.563897     -4.100882
  H      -6.540598      0.295185      5.877195
  H      -6.904354      0.574734      7.593412
  H      -4.653315     -1.337631      6.825921
  H      -5.632691     -1.339050      8.300492
  H      -7.648046     -2.001724      6.756467
  H      -6.364329     -3.227539      7.029007
  H     -10.087902     -0.464977      4.032496
  H      -8.377400     -1.609604     -0.120943
  H      -6.242645     -2.781575     -0.817565
  H      -4.654005     -3.534267      0.947076
  N      -4.986106      0.952911      3.773817
  H      -5.641450      1.486968      3.199665
  H      -4.856518      0.039521      3.334384
98
Coordinates from ORCA-job orca E -6478.362687780414
  N      -3.833394      3.571700      4.740413
  Mo     -3.920889      1.656932      5.313527
  N      -5.039605      1.251911      6.895103
  C      -4.484929      1.506641      8.218629
  C      -3.511693      2.675451      8.135279
  N      -2.620899      2.501377      6.958395
  C      -2.101129      3.792385      6.443452
  C      -3.183331      4.510593      5.649428
  C      -1.534321      1.516689      7.201302
  C      -1.133357      0.855898      5.884143
  N      -2.342181      0.457594      5.176791
  H      -2.713666      5.338515      5.083060
  H      -3.905183      4.991568      6.342634
  H      -1.260610      3.557360      5.775533
  H      -1.719077      4.418402      7.270890
  H      -0.502249     -0.024088      6.110277
  H      -0.501731      1.544459      5.285820
  H      -1.939680      0.748770      7.874235
  H      -0.675214      2.000408      7.701005
  H      -5.284611      1.755199      8.943755
  H      -3.968514      0.611171      8.623067
  H      -4.076930      3.603546      7.973283
  H      -2.922282      2.785265      9.063513
  C      -4.609807      4.232621      3.697977
  C      -5.941538      4.829320      4.189398
  C      -6.976120      3.787579      4.567817
  O      -7.372487      3.098017      3.345072
  C      -8.659180      2.808057      3.150528
  N      -9.569500      3.045457      4.078948
  C     -10.858789      2.744589      3.773954
  N     -11.333724      2.241070      2.652276
  C     -10.398216      1.984396      1.683664
  C     -10.791658      1.447943      0.436082
  C      -9.823805      1.193836     -0.511510
  C      -8.470131      1.467152     -0.211023
  N      -8.061543      1.975942      0.945568
  C      -9.010180      2.235429      1.876443
  C      -2.243122     -0.702017      4.304090
  C      -1.842963     -0.392369      2.851304
  C      -2.160791     -1.596975      1.978401
  O      -2.050661     -1.339260      0.548341
  C      -3.070527     -0.692995     -0.025629
  N      -4.054744     -0.196890      0.702735
  C      -5.058293      0.443475      0.053271
  N      -5.198172      0.607835     -1.249580
  C      -4.199610      0.073550     -2.021994
  C      -4.265529      0.160812     -3.431987
  C      -3.246906     -0.393551     -4.180412
  C      -2.168338     -1.022657     -3.519153
  N      -2.066014     -1.128333     -2.199846
  C      -3.068629     -0.590725     -1.461685
  C      -6.133981      0.288489      6.871198
  C      -5.691876     -1.148975      7.215258
  C      -6.592017     -2.220144      6.626946
  O      -6.311300     -2.371249      5.203468
  C      -7.203233     -1.948843      4.304582
  N      -8.325049     -1.352777      4.672444
  C      -9.177708     -0.971124      3.688548
  N      -9.037076     -1.125081      2.387024
  C      -7.885097     -1.751679      1.989705
  C      -7.637976     -1.980898      0.615875
  C      -6.474622     -2.625165      0.248360
  C      -5.572700     -3.039082      1.252889
  N      -5.761478     -2.840790      2.552146
  C      -6.900363     -2.200141      2.916891
  H      -4.001432      5.047472      3.258333
  H      -4.807009      3.515222      2.888804
  H      -5.763946      5.462236      5.073977
  H      -6.363419      5.484894      3.410134
  H      -7.865596      4.223973      5.036328
  H      -6.553977      3.023804      5.242262
  H     -11.582696      2.953448      4.568545
  H     -11.849739      1.244807      0.262900
  H     -10.085111      0.778197     -1.486227
  H      -7.686159      1.256043     -0.945549
  H      -1.537405     -1.432990      4.744861
  H      -3.225650     -1.203427      4.284031
  H      -0.778961     -0.120037      2.772457
  H      -2.446555      0.462660      2.518079
  H      -3.181598     -1.948511      2.187835
  H      -1.455777     -2.422478      2.145288
  H      -5.838355      0.871906      0.690799
  H      -5.120389      0.663226     -3.887959
  H      -3.260659     -0.350152     -5.270583
  H      -1.353402     -1.460776     -4.103604
  H      -6.559801      0.304009      5.860315
  H      -6.935088      0.599683      7.571806
  H      -4.668238     -1.306522      6.834910
  H      -5.652024     -1.297874      8.306698
  H      -7.657312     -1.995039      6.765353
  H      -6.363423     -3.206444      7.053450
  H     -10.092030     -0.476336      4.030707
  H      -8.371174     -1.633337     -0.113033
  H      -6.232819     -2.804621     -0.801229
  H      -4.648038     -3.551622      0.969997
  N      -5.000947      0.952361      3.754252
  H      -5.667401      1.489234      3.196199
  H      -4.859650      0.051704      3.293192
98
Coordinates from ORCA-job orca E -6478.363054053084
  N      -3.820882      3.567029      4.714719
  Mo     -3.934596      1.655718      5.297703
  N      -5.064995      1.275911      6.878015
  C      -4.516611      1.540744      8.201859
  C      -3.526425      2.694235      8.110305
  N      -2.630929      2.492389      6.941564
  C      -2.084892      3.768517      6.418130
  C      -3.151695      4.500079      5.616006
  C      -1.564051      1.490765      7.199647
  C      -1.161777      0.816869      5.889504
  N      -2.371132      0.434833      5.174343
  H      -2.665380      5.312946      5.042206
  H      -3.863629      5.001292      6.304833
  H      -1.247339      3.511957      5.755083
  H      -1.693839      4.394154      7.241600
  H      -0.547899     -0.072863      6.125130
  H      -0.513153      1.491491      5.293563
  H      -1.989226      0.731554      7.870185
  H      -0.702057      1.961517      7.706471
  H      -5.317856      1.808792      8.918160
  H      -4.015808      0.643754      8.622161
  H      -4.077028      3.627532      7.930437
  H      -2.941537      2.809065      9.040573
  C      -4.592399      4.236748      3.674230
  C      -5.914378      4.853155      4.167448
  C      -6.963561      3.828835      4.553387
  O      -7.363631      3.133606      3.334771
  C      -8.645041      2.809864      3.161007
  N      -9.546575      3.025269      4.102758
  C     -10.832874      2.695641      3.814603
  N     -11.311896      2.185813      2.697480
  C     -10.384137      1.949974      1.716077
  C     -10.782221      1.411052      0.471086
  C      -9.820885      1.176475     -0.488110
  C      -8.468283      1.468762     -0.200451
  N      -8.056149      1.982507      0.952160
  C      -8.999504      2.226716      1.892633
  C      -2.275588     -0.721081      4.297077
  C      -1.842640     -0.409894      2.854040
  C      -2.151684     -1.609070      1.970879
  O      -2.042800     -1.336720      0.543404
  C      -3.067323     -0.690224     -0.022538
  N      -4.059400     -0.217605      0.711089
  C      -5.068140      0.422743      0.069702
  N      -5.207083      0.606797     -1.230621
  C      -4.198903      0.099254     -2.008632
  C      -4.259718      0.213445     -3.417135
  C      -3.230485     -0.312178     -4.171824
  C      -2.146990     -0.941333     -3.518355
  N      -2.049130     -1.071687     -2.200825
  C      -3.061475     -0.561155     -1.456481
  C      -6.155008      0.306933      6.858862
  C      -5.707950     -1.124938      7.219608
  C      -6.599760     -2.207340      6.639682
  O      -6.316246     -2.369661      5.217693
  C      -7.205971     -1.952716      4.314015
  N      -8.329858     -1.356026      4.675707
  C      -9.180392     -0.982511      3.687452
  N      -9.037008     -1.145807      2.387267
  C      -7.883084     -1.773339      1.997038
  C      -7.633151     -2.013456      0.625843
  C      -6.468371     -2.659440      0.265417
  C      -5.568611     -3.064682      1.274510
  N      -5.759551     -2.855948      2.571529
  C      -6.899513     -2.213209      2.929158
  H      -3.976361      5.043521      3.230275
  H      -4.803854      3.519170      2.868595
  H      -5.725837      5.486798      5.049459
  H      -6.327800      5.512242      3.386312
  H      -7.849237      4.282362      5.012749
  H      -6.554509      3.067556      5.239396
  H     -11.550533      2.884682      4.619601
  H     -11.838256      1.190524      0.308971
  H     -10.086529      0.761127     -1.461463
  H      -7.688274      1.269534     -0.942915
  H      -1.590090     -1.466178      4.745812
  H      -3.265521     -1.205757      4.256965
  H      -0.775505     -0.145578      2.797726
  H      -2.431451      0.451113      2.510135
  H      -3.169987     -1.968630      2.175787
  H      -1.441466     -2.431228      2.130249
  H      -5.853876      0.832656      0.712611
  H      -5.118885      0.713876     -3.867117
  H      -3.240011     -0.246475     -5.260947
  H      -1.324313     -1.357938     -4.107830
  H      -6.576536      0.311171      5.846203
  H      -6.959996      0.621763      7.553264
  H      -4.682449     -1.281331      6.843747
  H      -5.670957     -1.262374      8.312629
  H      -7.666804     -1.988926      6.775009
  H      -6.364447     -3.188351      7.074697
  H     -10.097111     -0.487489      4.023811
  H      -8.366433     -1.674298     -0.106469
  H      -6.225055     -2.847911     -0.781872
  H      -4.643569     -3.580100      0.997518
  N      -5.012885      0.954032      3.735186
  H      -5.694051      1.493086      3.197097
  H      -4.854018      0.071812      3.245215
98
Coordinates from ORCA-job orca E -6478.363381758690
  N      -3.811351      3.560662      4.688010
  Mo     -3.949254      1.653504      5.280166
  N      -5.089789      1.297521      6.859426
  C      -4.544538      1.569984      8.183199
  C      -3.538115      2.708242      8.084964
  N      -2.640255      2.482300      6.922606
  C      -2.071644      3.744828      6.391035
  C      -3.124489      4.488292      5.581768
  C      -1.590730      1.466366      7.193415
  C      -1.190260      0.779077      5.889843
  N      -2.400864      0.412041      5.168511
  H      -2.622536      5.286179      5.000407
  H      -3.827193      5.008839      6.265582
  H      -1.238067      3.468353      5.730975
  H      -1.670992      4.370243      7.210011
  H      -0.592651     -0.119255      6.134060
  H      -0.526844      1.439710      5.294667
  H      -2.031008      0.715722      7.863807
  H      -0.725449      1.926446      7.704299
  H      -5.346101      1.856465      8.891969
  H      -4.059145      0.670685      8.616363
  H      -4.075335      3.646858      7.892613
  H      -2.955987      2.825448      9.016566
  C      -4.577097      4.236678      3.647790
  C      -5.889075      4.873427      4.142555
  C      -6.952027      3.867980      4.538300
  O      -7.356656      3.164622      3.326389
  C      -8.632944      2.810537      3.176428
  N      -9.522067      3.010929      4.132780
  C     -10.806014      2.655342      3.865963
  N     -11.293447      2.136360      2.756810
  C     -10.377621      1.914981      1.760784
  C     -10.785887      1.367456      0.522571
  C      -9.835019      1.143918     -0.449201
  C      -8.482248      1.454609     -0.180197
  N      -8.061325      1.979147      0.964267
  C      -8.995813      2.214560      1.915936
  C      -2.309434     -0.741934      4.288437
  C      -1.841489     -0.431573      2.856188
  C      -2.143605     -1.623620      1.961007
  O      -2.032481     -1.334484      0.537023
  C      -3.058063     -0.684896     -0.023599
  N      -4.057195     -0.230416      0.712566
  C      -5.066580      0.413213      0.075948
  N      -5.199960      0.617163     -1.222091
  C      -4.182811      0.131433     -2.002472
  C      -4.234208      0.271459     -3.408992
  C      -3.194916     -0.231126     -4.166129
  C      -2.111495     -0.864043     -3.517003
  N      -2.022131     -1.018178     -2.201373
  C      -3.044046     -0.529993     -1.454703
  C      -6.178930      0.327269      6.846162
  C      -5.731558     -1.099733      7.225569
  C      -6.617231     -2.191746      6.654090
  O      -6.329791     -2.367252      5.234224
  C      -7.214570     -1.954478      4.323953
  N      -8.339193     -1.353961      4.676932
  C      -9.184614     -0.986433      3.682440
  N      -9.035802     -1.158672      2.384100
  C      -7.880606     -1.789366      2.003349
  C      -7.624467     -2.037110      0.634866
  C      -6.459035     -2.686992      0.284012
  C      -5.565102     -3.088088      1.299925
  N      -5.760900     -2.870966      2.594691
  C      -6.901598     -2.224411      2.942759
  H      -3.953951      5.034356      3.197611
  H      -4.801745      3.517059      2.847914
  H      -5.688362      5.509356      5.020136
  H      -6.295100      5.534121      3.359294
  H      -7.833416      4.339644      4.988003
  H      -6.556775      3.111538      5.237179
  H     -11.514239      2.829418      4.682365
  H     -11.840695      1.129945      0.376310
  H     -10.108784      0.721890     -1.417603
  H      -7.709430      1.259827     -0.931306
  H      -1.646148     -1.501447      4.746672
  H      -3.306810     -1.208495      4.226896
  H      -0.770828     -0.178118      2.824963
  H      -2.413035      0.437049      2.502320
  H      -3.161287     -1.988505      2.159439
  H      -1.430693     -2.444664      2.112789
  H      -5.857019      0.808930      0.721786
  H      -5.094010      0.773350     -3.855547
  H      -3.196959     -0.144598     -5.253797
  H      -1.281512     -1.263220     -4.108438
  H      -6.596520      0.320125      5.832013
  H      -6.986797      0.649510      7.533758
  H      -4.704303     -1.258276      6.855851
  H      -5.699766     -1.224740      8.320127
  H      -7.685520     -1.977206      6.784744
  H      -6.378200     -3.167678      7.098419
  H     -10.102759     -0.488003      4.010875
  H      -8.354038     -1.701107     -0.103355
  H      -6.211813     -2.882010     -0.760908
  H      -4.639965     -3.607298      1.030431
  N      -5.024419      0.954292      3.713660
  H      -5.715862      1.497370      3.192385
  H      -4.844296      0.093777      3.192947
98
Coordinates from ORCA-job orca E -6478.363665626171
  N      -3.802366      3.554451      4.665512
  Mo     -3.963448      1.650366      5.264101
  N      -5.112510      1.315440      6.842129
  C      -4.568830      1.592681      8.166176
  C      -3.546651      2.715964      8.063775
  N      -2.647991      2.470859      6.906208
  C      -2.060566      3.721997      6.368258
  C      -3.101498      4.476457      5.554219
  C      -1.613418      1.442776      7.186412
  C      -1.216054      0.744743      5.887821
  N      -2.427805      0.391428      5.160868
  H      -2.586043      5.262316      4.968006
  H      -3.797325      5.012199      6.233433
  H      -1.231994      3.428432      5.708893
  H      -1.649843      4.346052      7.183233
  H      -0.633180     -0.161346      6.138517
  H      -0.539817      1.392789      5.293249
  H      -2.065336      0.699409      7.857218
  H      -0.745195      1.893909      7.700199
  H      -5.370183      1.897288      8.867765
  H      -4.099613      0.690316      8.610518
  H      -4.071236      3.660700      7.865212
  H      -2.966002      2.831418      8.996612
  C      -4.561647      4.235725      3.624831
  C      -5.863748      4.893304      4.118498
  C      -6.942807      3.909097      4.522044
  O      -7.351699      3.197936      3.316489
  C      -8.622008      2.815667      3.186783
  N      -9.501431      3.002428      4.154407
  C     -10.782048      2.621743      3.904587
  N     -11.274176      2.094878      2.801419
  C     -10.367721      1.887468      1.793971
  C     -10.781809      1.333291      0.560591
  C      -9.837984      1.120279     -0.420131
  C      -8.486396      1.446828     -0.164376
  N      -8.060499      1.980364      0.973803
  C      -8.989423      2.207709      1.933137
  C      -2.340417     -0.760123      4.276895
  C      -1.841075     -0.450199      2.855141
  C      -2.133761     -1.636011      1.948842
  O      -2.022959     -1.329094      0.528732
  C      -3.053182     -0.679726     -0.023801
  N      -4.059297     -0.247801      0.717567
  C      -5.073857      0.394955      0.088170
  N      -5.205770      0.618460     -1.206763
  C      -4.180165      0.159026     -1.992021
  C      -4.227267      0.324354     -3.395697
  C      -3.178092     -0.150933     -4.157452
  C      -2.090032     -0.782097     -3.515375
  N      -2.004495     -0.959892     -2.202270
  C      -3.035962     -0.498721     -1.451375
  C      -6.202748      0.346452      6.834486
  C      -5.757405     -1.075127      7.235386
  C      -6.637069     -2.175836      6.671589
  O      -6.341725     -2.366620      5.254886
  C      -7.218603     -1.957623      4.335777
  N      -8.343596     -1.351268      4.677540
  C      -9.182773     -0.990549      3.675111
  N      -9.027290     -1.175289      2.379510
  C      -7.870642     -1.810661      2.010269
  C      -7.607242     -2.069964      0.645616
  C      -6.440698     -2.724437      0.306857
  C      -5.552618     -3.117746      1.330670
  N      -5.754650     -2.889232      2.622315
  C      -6.896924     -2.238708      2.958594
  H      -3.930077      5.023359      3.168608
  H      -4.798181      3.514157      2.830311
  H      -5.652326      5.532716      4.991091
  H      -6.260297      5.554754      3.330925
  H      -7.819093      4.401590      4.960074
  H      -6.565967      3.156632      5.235425
  H     -11.482875      2.781865      4.729762
  H     -11.834359      1.080666      0.425910
  H     -10.115755      0.692771     -1.384885
  H      -7.718664      1.256801     -0.921950
  H      -1.698873     -1.533196      4.743852
  H      -3.344214     -1.209039      4.194224
  H      -0.768430     -0.203834      2.847244
  H      -2.399365      0.424201      2.494143
  H      -3.149585     -2.008765      2.142132
  H      -1.415833     -2.453983      2.092507
  H      -5.869863      0.771940      0.738657
  H      -5.091441      0.823683     -3.836594
  H      -3.176302     -0.044142     -5.243314
  H      -1.252536     -1.159586     -4.110482
  H      -6.615140      0.326970      5.818279
  H      -7.014510      0.678699      7.513186
  H      -4.727177     -1.237367      6.875081
  H      -5.734251     -1.186634      8.331664
  H      -7.707015     -1.963051      6.793973
  H      -6.397026     -3.146212      7.127503
  H     -10.102105     -0.487852      3.994037
  H      -8.332146     -1.739309     -0.099189
  H      -6.188858     -2.929523     -0.734747
  H      -4.626803     -3.640702      1.070242
  N      -5.035540      0.954619      3.693372
  H      -5.741711      1.499286      3.192891
  H      -4.829781      0.121840      3.137728
98
Coordinates from ORCA-job orca E -6478.363894084177
  N      -3.798297      3.547915      4.649835
  Mo     -3.973790      1.647095      5.252758
  N      -5.127092      1.326609      6.830886
  C      -4.582001      1.607835      8.154144
  C      -3.548765      2.720541      8.047532
  N      -2.651506      2.462291      6.891974
  C      -2.052673      3.705380      6.348278
  C      -3.087111      4.466970      5.533335
  C      -1.626194      1.426815      7.177355
  C      -1.233863      0.719520      5.882485
  N      -2.447440      0.375350      5.153941
  H      -2.563787      5.244293      4.942749
  H      -3.777110      5.013050      6.210105
  H      -1.229430      3.400302      5.687382
  H      -1.633109      4.328408      7.159487
  H      -0.661370     -0.191759      6.138452
  H      -0.549602      1.356937      5.285763
  H      -2.083789      0.690350      7.851891
  H      -0.754565      1.873032      7.689648
  H      -5.382075      1.925634      8.851436
  H      -4.123665      0.703550      8.605440
  H      -4.064359      3.669957      7.847083
  H      -2.967862      2.833459      8.980605
  C      -4.551331      4.230498      3.606308
  C      -5.845727      4.905765      4.097295
  C      -6.939197      3.939973      4.504724
  O      -7.350468      3.224444      3.303139
  C      -8.615404      2.820590      3.189919
  N      -9.486086      2.996152      4.168129
  C     -10.764019      2.596541      3.933401
  N     -11.261417      2.064066      2.835506
  C     -10.363694      1.867607      1.817527
  C     -10.783967      1.306209      0.589583
  C      -9.846963      1.099965     -0.399147
  C      -8.496276      1.440644     -0.156940
  N      -8.065221      1.983120      0.974927
  C      -8.988032      2.204087      1.941820
  C      -2.363013     -0.774523      4.268133
  C      -1.838275     -0.464763      2.855408
  C      -2.122940     -1.644718      1.938891
  O      -2.014489     -1.322365      0.522215
  C      -3.047837     -0.673393     -0.025140
  N      -4.059221     -0.256516      0.718476
  C      -5.075872      0.386234      0.092121
  N      -5.203337      0.625749     -1.200186
  C      -4.170432      0.185934     -1.987052
  C      -4.209976      0.373372     -3.387901
  C      -3.151816     -0.081117     -4.150435
  C      -2.063519     -0.713577     -3.511563
  N      -1.984973     -0.912267     -2.200877
  C      -3.025006     -0.471607     -1.449539
  C      -6.218822      0.359315      6.828514
  C      -5.777088     -1.058925      7.244973
  C      -6.655137     -2.165586      6.689772
  O      -6.358011     -2.370731      5.275610
  C      -7.228720     -1.963315      4.350404
  N      -8.350958     -1.347698      4.683080
  C      -9.184273     -0.989486      3.674539
  N      -9.024557     -1.184187      2.381130
  C      -7.869964     -1.828212      2.021143
  C      -7.602114     -2.096638      0.659194
  C      -6.438120     -2.759705      0.329870
  C      -5.556324     -3.151549      1.360463
  N      -5.762364     -2.913538      2.649753
  C      -6.902429     -2.255180      2.976654
  H      -3.912918      5.009515      3.144756
  H      -4.795585      3.505803      2.817297
  H      -5.625512      5.547709      4.965766
  H      -6.233707      5.568123      3.306263
  H      -7.811181      4.450942      4.931000
  H      -6.581296      3.190499      5.230469
  H     -11.457539      2.745390      4.767359
  H     -11.834846      1.040634      0.466453
  H     -10.128560      0.665413     -1.359534
  H      -7.733128      1.254026     -0.920015
  H      -1.739235     -1.557696      4.742208
  H      -3.371334     -1.208649      4.167855
  H      -0.764467     -0.223564      2.867092
  H      -2.385672      0.414561      2.489836
  H      -3.136401     -2.025226      2.129399
  H      -1.399517     -2.459171      2.074094
  H      -5.876786      0.749371      0.743828
  H      -5.075082      0.873052     -3.825962
  H      -3.143528      0.043074     -5.234364
  H      -1.218981     -1.073992     -4.107132
  H      -6.627675      0.330298      5.811149
  H      -7.032874      0.699715      7.500177
  H      -4.745744     -1.225312      6.890798
  H      -5.759620     -1.159840      8.342194
  H      -7.725182     -1.952680      6.808471
  H      -6.414708     -3.131405      7.154868
  H     -10.101093     -0.477327      3.985766
  H      -8.321126     -1.765235     -0.091494
  H      -6.183873     -2.973368     -0.709443
  H      -4.632329     -3.681133      1.107505
  N      -5.042987      0.950976      3.678833
  H      -5.759842      1.497402      3.194906
  H      -4.807538      0.150200      3.088445
98
Coordinates from ORCA-job orca E -6478.364062196883
  N      -3.792666      3.535844      4.630789
  Mo     -3.984737      1.638919      5.241980
  N      -5.140998      1.335408      6.821082
  C      -4.595612      1.622952      8.143313
  C      -3.552000      2.725397      8.031076
  N      -2.655965      2.452350      6.878348
  C      -2.045771      3.686747      6.326981
  C      -3.073712      4.453939      5.508918
  C      -1.640557      1.409322      7.171140
  C      -1.252099      0.692487      5.880837
  N      -2.466186      0.356573      5.149126
  H      -2.543321      5.223787      4.914514
  H      -3.759809      5.009572      6.182191
  H      -1.227048      3.369691      5.665534
  H      -1.618247      4.309801      7.134094
  H      -0.689595     -0.223345      6.142814
  H      -0.559422      1.319591      5.282970
  H      -2.105737      0.681210      7.849597
  H      -0.765933      1.850654      7.682603
  H      -5.394689      1.954884      8.835311
  H      -4.147548      0.718185      8.603652
  H      -4.057875      3.679565      7.827580
  H      -2.971263      2.836158      8.964724
  C      -4.538549      4.217557      3.581963
  C      -5.824517      4.913145      4.066408
  C      -6.931844      3.967336      4.481007
  O      -7.346658      3.243668      3.285838
  C      -8.607499      2.823669      3.187507
  N      -9.470758      2.996486      4.171796
  C     -10.747568      2.586279      3.948449
  N     -11.250629      2.048592      2.855742
  C     -10.360527      1.854966      1.831523
  C     -10.786693      1.288059      0.608256
  C      -9.855491      1.083814     -0.386403
  C      -8.504850      1.431815     -0.154713
  N      -8.068564      1.980270      0.972258
  C      -8.985822      2.199620      1.944896
  C      -2.385513     -0.790695      4.259581
  C      -1.839033     -0.481454      2.854747
  C      -2.118350     -1.655067      1.927978
  O      -2.011203     -1.315935      0.515432
  C      -3.047718     -0.666353     -0.024909
  N      -4.065740     -0.269786      0.721614
  C      -5.086226      0.372390      0.100062
  N      -5.209462      0.631793     -1.188459
  C      -4.167921      0.216911     -1.977744
  C      -4.200737      0.430881     -3.374689
  C      -3.132547      0.002267     -4.138862
  C      -2.042217     -0.631181     -3.505049
  N      -1.970205     -0.855305     -2.197823
  C      -3.019665     -0.439674     -1.445276
  C      -6.234312      0.370222      6.824454
  C      -5.793803     -1.042690      7.260131
  C      -6.667074     -2.156845      6.712856
  O      -6.363344     -2.375493      5.302069
  C      -7.228488     -1.970329      4.371133
  N      -8.350500     -1.351059      4.696915
  C      -9.180851     -0.996751      3.684078
  N      -9.017982     -1.200179      2.392503
  C      -7.863008     -1.847650      2.039131
  C      -7.592876     -2.126101      0.679731
  C      -6.428797     -2.792408      0.357257
  C      -5.547972     -3.176181      1.391767
  N      -5.756873     -2.929474      2.678906
  C      -6.897760     -2.268968      2.999358
  H      -3.890474      4.984455      3.113416
  H      -4.791196      3.488754      2.799752
  H      -5.597136      5.561377      4.928156
  H      -6.203477      5.572353      3.268636
  H      -7.798655      4.497800      4.895022
  H      -6.591762      3.223412      5.220197
  H     -11.434083      2.731992      4.787859
  H     -11.836716      1.016335      0.493530
  H     -10.140581      0.644701     -1.343620
  H      -7.745945      1.246136     -0.922394
  H      -1.778595     -1.583939      4.739142
  H      -3.398338     -1.209663      4.143633
  H      -0.764191     -0.245895      2.882640
  H      -2.375528      0.403749      2.486387
  H      -3.130170     -2.042352      2.115001
  H      -1.390916     -2.467236      2.054924
  H      -5.894552      0.716174      0.753597
  H      -5.068277      0.930106     -3.808609
  H      -3.118207      0.147520     -5.220087
  H      -1.189663     -0.970547     -4.101676
  H      -6.637480      0.328704      5.805065
  H      -7.052726      0.719624      7.486509
  H      -4.759803     -1.211701      6.914304
  H      -5.783471     -1.131481      8.358745
  H      -7.738390     -1.945048      6.824532
  H      -6.425959     -3.116929      7.189246
  H     -10.097103     -0.481846      3.990316
  H      -8.309953     -1.799419     -0.074170
  H      -6.173834     -3.015780     -0.679714
  H      -4.623501     -3.707493      1.143842
  N      -5.054689      0.938927      3.668878
  H      -5.790506      1.480343      3.207189
  H      -4.789893      0.173327      3.044403
98
Coordinates from ORCA-job orca E -6478.364190324748
  N      -3.786684      3.522550      4.615887
  Mo     -3.988691      1.630571      5.237506
  N      -5.145191      1.341101      6.818294
  C      -4.597397      1.633994      8.138392
  C      -3.548212      2.730692      8.019437
  N      -2.654583      2.447162      6.867446
  C      -2.038807      3.675513      6.309117
  C      -3.063855      4.443343      5.487889
  C      -1.643365      1.401042      7.165184
  C      -1.259574      0.674833      5.878792
  N      -2.475312      0.342155      5.148672
  H      -2.530571      5.207883      4.889366
  H      -3.747342      5.005793      6.158114
  H      -1.222631      3.351196      5.648249
  H      -1.607363      4.299979      7.113075
  H      -0.702959     -0.243264      6.146453
  H      -0.562321      1.293314      5.277149
  H      -2.111045      0.680539      7.849994
  H      -0.765798      1.841746      7.672255
  H      -5.394471      1.974447      8.828548
  H      -4.153796      0.729878      8.603871
  H      -4.048242      3.687133      7.812990
  H      -2.966531      2.841640      8.952546
  C      -4.524695      4.199018      3.557971
  C      -5.803781      4.912489      4.033925
  C      -6.921338      3.981143      4.453665
  O      -7.338468      3.251713      3.262531
  C      -8.596997      2.822224      3.176380
  N      -9.451910      2.988603      4.170522
  C     -10.728611      2.569936      3.960687
  N     -11.239535      2.029851      2.872759
  C     -10.357508      1.840171      1.839948
  C     -10.791584      1.265760      0.623232
  C      -9.868127      1.059527     -0.377897
  C      -8.517254      1.415064     -0.159799
  N      -8.073846      1.972503      0.960140
  C      -8.983011      2.192017      1.939762
  C      -2.397714     -0.801871      4.255168
  C      -1.837775     -0.488708      2.856604
  C      -2.108976     -1.656903      1.920635
  O      -2.003482     -1.303851      0.511652
  C      -3.043131     -0.655459     -0.023886
  N      -4.067723     -0.276889      0.723120
  C      -5.091484      0.363956      0.104264
  N      -5.208668      0.642573     -1.180520
  C      -4.158133      0.250298     -1.969687
  C      -4.182288      0.490124     -3.362567
  C      -3.104454      0.084895     -4.126227
  C      -2.014044     -0.551860     -3.495789
  N      -1.950206     -0.800390     -2.192383
  C      -3.008505     -0.406632     -1.440588
  C      -6.243110      0.380761      6.826817
  C      -5.809625     -1.031502      7.270902
  C      -6.686238     -2.146906      6.732138
  O      -6.385181     -2.378288      5.323257
  C      -7.248183     -1.975841      4.389058
  N      -8.368487     -1.350550      4.708685
  C      -9.195547     -0.997923      3.692043
  N      -9.029920     -1.207554      2.401615
  C      -7.877105     -1.862307      2.054539
  C      -7.604789     -2.148648      0.696814
  C      -6.444138     -2.823536      0.380760
  C      -5.567350     -3.206409      1.419880
  N      -5.778762     -2.951865      2.705027
  C      -6.916617     -2.283686      3.019334
  H      -3.868134      4.954241      3.082118
  H      -4.783735      3.464108      2.783641
  H      -5.571381      5.565765      4.890756
  H      -6.174740      5.569423      3.230237
  H      -7.784217      4.525537      4.858225
  H      -6.593481      3.241511      5.202874
  H     -11.407406      2.712397      4.807900
  H     -11.841334      0.987845      0.519383
  H     -10.158824      0.611456     -1.329651
  H      -7.764008      1.227983     -0.931938
  H      -1.800555     -1.601816      4.735669
  H      -3.412897     -1.211208      4.129527
  H      -0.763284     -0.253522      2.895870
  H      -2.368344      0.399382      2.486731
  H      -3.118011     -2.052736      2.104430
  H      -1.375844     -2.464632      2.040308
  H      -5.907006      0.690322      0.757478
  H      -5.050692      0.990429     -3.793803
  H      -3.082756      0.250573     -5.204380
  H      -1.153842     -0.872606     -4.091760
  H      -6.644880      0.334433      5.807303
  H      -7.061115      0.737755      7.484643
  H      -4.776153     -1.205975      6.926925
  H      -5.800775     -1.113431      8.369964
  H      -7.756636     -1.932541      6.844197
  H      -6.446316     -3.103339      7.215894
  H     -10.109078     -0.474578      3.993370
  H      -8.317650     -1.820981     -0.061051
  H      -6.188786     -3.055940     -0.654250
  H      -4.645212     -3.744003      1.177251
  N      -5.061404      0.921095      3.669624
  H      -5.813804      1.454706      3.224895
  H      -4.771368      0.186360      3.019150
98
Coordinates from ORCA-job orca E -6478.364293161271
  N      -3.785498      3.498653      4.596438
  Mo     -3.994366      1.614258      5.236137
  N      -5.145927      1.341271      6.823240
  C      -4.594343      1.644819      8.139046
  C      -3.541597      2.736983      8.007535
  N      -2.652977      2.441447      6.854680
  C      -2.035273      3.663274      6.283961
  C      -3.060919      4.426434      5.459246
  C      -1.643684      1.394630      7.157415
  C      -1.264683      0.658365      5.875996
  N      -2.481897      0.325030      5.149715
  H      -2.528786      5.186283      4.853841
  H      -3.742383      4.994403      6.126897
  H      -1.222200      3.331440      5.622903
  H      -1.599528      4.293220      7.081381
  H      -0.710389     -0.259479      6.149702
  H      -0.566351      1.270136      5.269147
  H      -2.111735      0.681628      7.849599
  H      -0.763229      1.836513      7.658039
  H      -5.388931      1.994022      8.827497
  H      -4.152010      0.743802      8.611814
  H      -4.037757      3.694476      7.796748
  H      -2.956476      2.851241      8.938043
  C      -4.517725      4.164737      3.527680
  C      -5.791400      4.894748      3.993347
  C      -6.915877      3.976129      4.423032
  O      -7.339357      3.240160      3.238308
  C      -8.599268      2.812655      3.161471
  N      -9.447114      2.984328      4.160305
  C     -10.726918      2.571589      3.958585
  N     -11.247670      2.033122      2.874432
  C     -10.372646      1.837880      1.836638
  C     -10.816803      1.268404      0.621851
  C      -9.900424      1.061222     -0.386601
  C      -8.546728      1.409099     -0.176909
  N      -8.094023      1.961471      0.941487
  C      -8.995624      2.182998      1.927851
  C      -2.405174     -0.817381      4.254087
  C      -1.836485     -0.502235      2.859275
  C      -2.110578     -1.662532      1.913571
  O      -2.002470     -1.296642      0.508180
  C      -3.037428     -0.640814     -0.026292
  N      -4.067919     -0.271265      0.716650
  C      -5.087465      0.374631      0.095754
  N      -5.192785      0.670210     -1.186024
  C      -4.133369      0.292220     -1.970058
  C      -4.142112      0.555762     -3.358822
  C      -3.055346      0.164707     -4.116990
  C      -1.972227     -0.482863     -3.485448
  N      -1.922979     -0.753629     -2.185787
  C      -2.989317     -0.372322     -1.439227
  C      -6.245857      0.383951      6.840270
  C      -5.813540     -1.025556      7.295314
  C      -6.689262     -2.144484      6.762565
  O      -6.388752     -2.380430      5.354247
  C      -7.253913     -1.980117      4.420870
  N      -8.375582     -1.357771      4.742122
  C      -9.206596     -1.009110      3.727226
  N      -9.044757     -1.222806      2.437103
  C      -7.890375     -1.874528      2.088332
  C      -7.622657     -2.166656      0.731079
  C      -6.459918     -2.836256      0.412445
  C      -5.576079     -3.209001      1.449049
  N      -5.784393     -2.951117      2.733801
  C      -6.924703     -2.288303      3.050495
  H      -3.854596      4.907437      3.041559
  H      -4.781751      3.420229      2.764965
  H      -5.554116      5.556606      4.841907
  H      -6.157867      5.544763      3.182531
  H      -7.774457      4.531779      4.822185
  H      -6.593907      3.241567      5.178951
  H     -11.399049      2.717826      4.810372
  H     -11.868665      0.997243      0.524402
  H     -10.198613      0.619252     -1.337942
  H      -7.798475      1.222670     -0.954834
  H      -1.813295     -1.621070      4.734760
  H      -3.421798     -1.220507      4.122798
  H      -0.760723     -0.273341      2.904508
  H      -2.358384      0.392080      2.490900
  H      -3.120819     -2.057818      2.093104
  H      -1.378914     -2.472753      2.026841
  H      -5.910693      0.689193      0.744867
  H      -5.005839      1.062656     -3.791134
  H      -3.021292      0.349009     -5.191780
  H      -1.105361     -0.793471     -4.077024
  H      -6.646024      0.328779      5.820456
  H      -7.064495      0.748009      7.493485
  H      -4.779875     -1.202115      6.952756
  H      -5.805486     -1.100385      8.395274
  H      -7.759972     -1.931125      6.874781
  H      -6.447134     -3.098279      7.250926
  H     -10.120695     -0.488234      4.030995
  H      -8.340737     -1.847288     -0.024545
  H      -6.208889     -3.074007     -0.622418
  H      -4.651194     -3.740896      1.204500
  N      -5.075999      0.886115      3.679962
  H      -5.847256      1.407314      3.253745
  H      -4.765790      0.178015      3.009109
98
Coordinates from ORCA-job orca E -6478.364375536881
  N      -3.778064      3.469366      4.572492
  Mo     -4.005143      1.596816      5.234782
  N      -5.156913      1.346828      6.825046
  C      -4.601661      1.659076      8.136777
  C      -3.543519      2.744686      7.993927
  N      -2.657484      2.432653      6.843397
  C      -2.031433      3.644700      6.262011
  C      -3.050564      4.404161      5.425676
  C      -1.654075      1.381903      7.155179
  C      -1.280009      0.631072      5.880158
  N      -2.499231      0.300084      5.157444
  H      -2.512995      5.153959      4.812705
  H      -3.729536      4.984564      6.084586
  H      -1.217907      3.302306      5.607437
  H      -1.594868      4.279608      7.054897
  H      -0.733003     -0.288612      6.163102
  H      -0.575701      1.231487      5.267973
  H      -2.126639      0.679927      7.855819
  H      -0.769797      1.823423      7.649989
  H      -5.393046      2.016637      8.824492
  H      -4.160991      0.760584      8.615551
  H      -4.033399      3.703119      7.773949
  H      -2.957243      2.863826      8.923121
  C      -4.494444      4.124475      3.484239
  C      -5.757727      4.884578      3.927204
  C      -6.896751      3.988420      4.369637
  O      -7.323905      3.234138      3.197333
  C      -8.585269      2.808894      3.129480
  N      -9.426262      2.985843      4.132866
  C     -10.707645      2.575426      3.940071
  N     -11.236055      2.031498      2.862204
  C     -10.366781      1.827795      1.821292
  C     -10.817690      1.245105      0.614857
  C      -9.906620      1.027812     -0.396575
  C      -8.551852      1.382735     -0.199141
  N      -8.093416      1.946038      0.911789
  C      -8.988763      2.173608      1.902041
  C      -2.425379     -0.838714      4.256827
  C      -1.851449     -0.516647      2.866823
  C      -2.117817     -1.668603      1.909138
  O      -2.010797     -1.282593      0.509494
  C      -3.049706     -0.625433     -0.016247
  N      -4.090819     -0.287983      0.726999
  C      -5.115061      0.358978      0.113298
  N      -5.213902      0.686428     -1.161188
  C      -4.142427      0.343064     -1.945352
  C      -4.143215      0.643597     -3.326937
  C      -3.045437      0.285519     -4.085753
  C      -1.959514     -0.366622     -3.462095
  N      -1.917277     -0.671109     -2.169369
  C      -2.993845     -0.321021     -1.422201
  C      -6.255192      0.387689      6.851259
  C      -5.815460     -1.016257      7.315545
  C      -6.684280     -2.145481      6.791768
  O      -6.383190     -2.393328      5.387047
  C      -7.247961     -1.993102      4.454146
  N      -8.365537     -1.364736      4.776696
  C      -9.195246     -1.009464      3.763508
  N      -9.035047     -1.219781      2.473032
  C      -7.885972     -1.878822      2.122837
  C      -7.621371     -2.166159      0.763670
  C      -6.465774     -2.846311      0.442926
  C      -5.584933     -3.232144      1.479685
  N      -5.790006     -2.976768      2.765151
  C      -6.923692     -2.304165      3.083774
  H      -3.814731      4.844381      2.986179
  H      -4.768265      3.367757      2.736309
  H      -5.516236      5.559341      4.764652
  H      -6.109865      5.524622      3.101435
  H      -7.749734      4.561880      4.754398
  H      -6.585650      3.265077      5.141902
  H     -11.373794      2.728127      4.795078
  H     -11.870691      0.971321      0.526102
  H     -10.209991      0.573355     -1.341026
  H      -7.807400      1.192362     -0.979646
  H      -1.836611     -1.646824      4.733485
  H      -3.443102     -1.237295      4.123142
  H      -0.776075     -0.287201      2.918010
  H      -2.369257      0.380786      2.499821
  H      -3.124899     -2.073879      2.083538
  H      -1.379714     -2.474328      2.012571
  H      -5.948658      0.644411      0.761542
  H      -5.009805      1.151399     -3.753693
  H      -3.004857      0.499128     -5.155008
  H      -1.084344     -0.652065     -4.053954
  H      -6.656849      0.322608      5.832739
  H      -7.072699      0.754695      7.502732
  H      -4.780939     -1.188118      6.973892
  H      -5.804796     -1.082861      8.415338
  H      -7.756371     -1.938663      6.902038
  H      -6.436052     -3.092228      7.289184
  H     -10.105840     -0.483522      4.068611
  H      -8.336668     -1.834067      0.007572
  H      -6.217598     -3.083502     -0.593196
  H      -4.665820     -3.772739      1.233258
  N      -5.098216      0.855281      3.692703
  H      -5.890179      1.361906      3.289361
  H      -4.764297      0.186596      2.993886
98
Coordinates from ORCA-job orca E -6478.364456194505
  N      -3.768781      3.441112      4.549674
  Mo     -4.006965      1.577767      5.233866
  N      -5.158700      1.349412      6.827090
  C      -4.601228      1.669651      8.135625
  C      -3.539913      2.750550      7.981942
  N      -2.656186      2.426585      6.832400
  C      -2.026689      3.632819      6.241905
  C      -3.043180      4.384496      5.394483
  C      -1.654587      1.375933      7.152249
  C      -1.281310      0.615620      5.881962
  N      -2.501662      0.282157      5.161882
  H      -2.504324      5.128029      4.774958
  H      -3.723412      4.971731      6.046357
  H      -1.211031      3.283333      5.593611
  H      -1.592555      4.274420      7.030680
  H      -0.736445     -0.303510      6.171076
  H      -0.574987      1.210540      5.266170
  H      -2.128629      0.678517      7.856558
  H      -0.770002      1.819533      7.644755
  H      -5.390366      2.035165      8.821768
  H      -4.163141      0.773593      8.621809
  H      -4.027730      3.708051      7.752911
  H      -2.951673      2.876922      8.908932
  C      -4.477663      4.081735      3.447650
  C      -5.734649      4.859843      3.875402
  C      -6.876705      3.978165      4.338541
  O      -7.313086      3.207264      3.180901
  C      -8.580002      2.794425      3.126394
  N      -9.410496      2.986556      4.135255
  C     -10.697427      2.586739      3.955672
  N     -11.239848      2.039561      2.885981
  C     -10.380906      1.820026      1.839933
  C     -10.847033      1.236569      0.639528
  C      -9.946917      1.005261     -0.378504
  C      -8.587461      1.346443     -0.192583
  N      -8.114693      1.911862      0.911430
  C      -8.999245      2.153582      1.907664
  C      -2.426595     -0.850563      4.252239
  C      -1.851532     -0.513743      2.866380
  C      -2.109165     -1.658900      1.898893
  O      -1.993680     -1.261113      0.503173
  C      -3.032618     -0.603470     -0.022216
  N      -4.082762     -0.284207      0.716260
  C      -5.107223      0.364239      0.103372
  N      -5.197335      0.709731     -1.167141
  C      -4.115853      0.386241     -1.946108
  C      -4.105755      0.709762     -3.322798
  C      -2.998772      0.372141     -4.077206
  C      -1.913890     -0.283762     -3.454490
  N      -1.881366     -0.608637     -2.166503
  C      -2.966778     -0.277617     -1.423383
  C      -6.263382      0.397211      6.861271
  C      -5.834901     -1.007724      7.332900
  C      -6.712525     -2.132103      6.815563
  O      -6.413882     -2.386695      5.410949
  C      -7.275614     -1.988110      4.473797
  N      -8.396527     -1.360572      4.789020
  C      -9.222541     -1.011943      3.770178
  N      -9.056472     -1.229079      2.480910
  C      -7.903958     -1.887798      2.138908
  C      -7.632747     -2.186426      0.783228
  C      -6.473628     -2.865868      0.471405
  C      -5.596119     -3.240531      1.513337
  N      -5.808190     -2.977503      2.796127
  C      -6.945184     -2.305234      3.106120
  H      -3.790986      4.784714      2.935350
  H      -4.759611      3.312584      2.715925
  H      -5.489064      5.549397      4.699355
  H      -6.083221      5.484882      3.037402
  H      -7.724954      4.560863      4.718825
  H      -6.562294      3.266571      5.120534
  H     -11.355693      2.751692      4.814368
  H     -11.903175      0.974833      0.559439
  H     -10.263823      0.551647     -1.319271
  H      -7.851293      1.144394     -0.977286
  H      -1.835842     -1.661602      4.722143
  H      -3.443851     -1.250274      4.115855
  H      -0.777567     -0.279412      2.921147
  H      -2.372134      0.383760      2.503086
  H      -3.116289     -2.067167      2.063371
  H      -1.370473     -2.463983      2.000615
  H      -5.948041      0.636226      0.749075
  H      -4.971940      1.218776     -3.749391
  H      -2.950072      0.604271     -5.142338
  H      -1.031759     -0.554626     -4.043221
  H      -6.668497      0.330584      5.844409
  H      -7.076277      0.774322      7.513465
  H      -4.802227     -1.190018      6.989879
  H      -5.822850     -1.068564      8.433453
  H      -7.782959     -1.917591      6.927515
  H      -6.470139     -3.078843      7.316785
  H     -10.136468     -0.488828      4.069353
  H      -8.347260     -1.867447      0.023901
  H      -6.221319     -3.112879     -0.561055
  H      -4.675029     -3.782238      1.274288
  N      -5.106882      0.819589      3.705236
  H      -5.907548      1.315472      3.305281
  H      -4.758550      0.167015      2.997632
98
Coordinates from ORCA-job orca E -6478.364515908860
  N      -3.766820      3.419496      4.536917
  Mo     -4.011129      1.565408      5.236361
  N      -5.163105      1.352286      6.832884
  C      -4.601209      1.678323      8.138095
  C      -3.536805      2.754808      7.975233
  N      -2.655724      2.420860      6.825988
  C      -2.023784      3.621683      6.226879
  C      -3.038199      4.368202      5.373027
  C      -1.656702      1.369767      7.150728
  C      -1.287119      0.599990      5.885236
  N      -2.509305      0.265088      5.168786
  H      -2.497129      5.103326      4.745738
  H      -3.716252      4.963654      6.019384
  H      -1.208292      3.265493      5.581979
  H      -1.588725      4.268899      7.010445
  H      -0.744599     -0.318557      6.180229
  H      -0.580036      1.188731      5.264562
  H      -2.130824      0.677378      7.859802
  H      -0.770098      1.814016      7.638803
  H      -5.387517      2.049843      8.824324
  H      -4.164527      0.783603      8.628242
  H      -4.023176      3.711711      7.739879
  H      -2.946093      2.886794      8.899753
  C      -4.467671      4.050965      3.424549
  C      -5.721397      4.840272      3.841832
  C      -6.868066      3.968638      4.311585
  O      -7.310233      3.195087      3.158133
  C      -8.579683      2.788299      3.109058
  N      -9.404697      2.983894      4.122555
  C     -10.693507      2.585957      3.950687
  N     -11.242134      2.038892      2.884253
  C     -10.389112      1.817329      1.832540
  C     -10.863158      1.236644      0.634193
  C      -9.969205      1.004850     -0.389601
  C      -8.608356      1.342326     -0.211213
  N      -8.128088      1.905223      0.890562
  C      -9.006876      2.148084      1.892068
  C      -2.429569     -0.863211      4.253880
  C      -1.860569     -0.513510      2.869118
  C      -2.109904     -1.653643      1.893437
  O      -1.991837     -1.244214      0.501195
  C      -3.031633     -0.587517     -0.023353
  N      -4.087004     -0.281581      0.712690
  C      -5.111406      0.366917      0.100690
  N      -5.197471      0.723178     -1.167369
  C      -4.110165      0.413900     -1.943363
  C      -4.094141      0.750756     -3.316793
  C      -2.980936      0.427669     -4.068112
  C      -1.895747     -0.227079     -3.445656
  N      -1.868455     -0.563663     -2.160694
  C      -2.960207     -0.247442     -1.420653
  C      -6.267728      0.400385      6.874826
  C      -5.837645     -1.003236      7.350100
  C      -6.715879     -2.130242      6.838957
  O      -6.420001     -2.390477      5.434408
  C      -7.278917     -1.989737      4.495657
  N      -8.398117     -1.357880      4.808924
  C      -9.221148     -1.007915      3.788346
  N      -9.053307     -1.225351      2.499458
  C      -7.902210     -1.888153      2.159923
  C      -7.629145     -2.187521      0.805220
  C      -6.471547     -2.870713      0.495811
  C      -5.598341     -3.249215      1.539481
  N      -5.811587     -2.985529      2.821715
  C      -6.946789     -2.308887      3.129201
  H      -3.776153      4.743780      2.905705
  H      -4.751611      3.273695      2.702552
  H      -5.472499      5.536031      4.659522
  H      -6.065568      5.458555      2.997372
  H      -7.712929      4.556886      4.690737
  H      -6.555284      3.259551      5.096594
  H     -11.348192      2.753289      4.811889
  H     -11.920263      0.977934      0.559992
  H     -10.293125      0.554747     -1.329158
  H      -7.876644      1.141510     -1.001026
  H      -1.831454     -1.672592      4.717090
  H      -3.444383     -1.269343      4.118811
  H      -0.788308     -0.270732      2.923640
  H      -2.389970      0.381833      2.512863
  H      -3.115980     -2.067542      2.052171
  H      -1.367501     -2.456070      1.991514
  H      -5.956928      0.627853      0.744129
  H      -4.960696      1.258464     -3.743213
  H      -2.927735      0.670650     -5.130548
  H      -1.008874     -0.486958     -4.032047
  H      -6.678354      0.330928      5.860471
  H      -7.077167      0.780030      7.530362
  H      -4.806122     -1.186780      7.004189
  H      -5.822291     -1.060046      8.450970
  H      -7.786146     -1.915539      6.952508
  H      -6.471918     -3.075526      7.342876
  H     -10.134868     -0.481455      4.085511
  H      -8.341018     -1.866066      0.044205
  H      -6.217505     -3.116734     -0.536290
  H      -4.678527     -3.793603      1.302203
  N      -5.114626      0.796686      3.714563
  H      -5.919366      1.286466      3.314646
  H      -4.763944      0.143058      3.008922
98
Coordinates from ORCA-job orca E -6478.364591378813
  N      -3.762572      3.385787      4.514207
  Mo     -4.025214      1.544347      5.231268
  N      -5.182780      1.358622      6.830681
  C      -4.618216      1.694775      8.132568
  C      -3.546496      2.762243      7.958436
  N      -2.665188      2.409687      6.814730
  C      -2.022934      3.599964      6.205587
  C      -3.029565      4.340615      5.339128
  C      -1.676492      1.354777      7.152333
  C      -1.304846      0.573812      5.894715
  N      -2.525742      0.238623      5.175644
  H      -2.482228      5.062454      4.702232
  H      -3.705641      4.948705      5.975208
  H      -1.205868      3.231655      5.569593
  H      -1.588176      4.254604      6.982928
  H      -0.768199     -0.344847      6.199138
  H      -0.593033      1.154497      5.271844
  H      -2.159893      0.668678      7.861150
  H      -0.789649      1.795364      7.643226
  H      -5.402063      2.079517      8.814530
  H      -4.188835      0.802389      8.633164
  H      -4.028672      3.718060      7.709531
  H      -2.955517      2.904090      8.881234
  C      -4.451467      4.007441      3.388909
  C      -5.694768      4.821672      3.789884
  C      -6.852088      3.974673      4.279852
  O      -7.306184      3.186160      3.142287
  C      -8.579090      2.788943      3.104837
  N      -9.395508      2.994294      4.122827
  C     -10.686118      2.595770      3.962823
  N     -11.242672      2.042811      2.903846
  C     -10.399179      1.816644      1.845353
  C     -10.883705      1.235602      0.650927
  C      -9.997753      1.002633     -0.379908
  C      -8.634692      1.337135     -0.211463
  N      -8.145035      1.899385      0.886186
  C      -9.016971      2.145721      1.892982
  C      -2.429834     -0.879952      4.249514
  C      -1.863669     -0.505911      2.869657
  C      -2.089067     -1.639618      1.881517
  O      -1.967858     -1.213689      0.494528
  C      -3.015124     -0.566200     -0.028920
  N      -4.080213     -0.286331      0.703899
  C      -5.111129      0.353040      0.092827
  N      -5.196831      0.719477     -1.172493
  C      -4.099717      0.437419     -1.944543
  C      -4.081212      0.788564     -3.314385
  C      -2.957139      0.495009     -4.061305
  C      -1.863405     -0.144404     -3.437955
  N      -1.838134     -0.493960     -2.156597
  C      -2.940986     -0.207747     -1.421126
  C      -6.281887      0.400393      6.886260
  C      -5.843726     -0.997829      7.368694
  C      -6.721031     -2.130013      6.866615
  O      -6.427381     -2.397703      5.462965
  C      -7.281405     -1.992571      4.521745
  N      -8.398831     -1.356644      4.833540
  C      -9.217683     -1.004123      3.810998
  N      -9.047997     -1.221443      2.522467
  C      -7.898501     -1.888175      2.184849
  C      -7.623238     -2.186858      0.830772
  C      -6.466210     -2.872883      0.523820
  C      -5.597617     -3.255394      1.569756
  N      -5.812099     -2.990840      2.851703
  C      -6.946257     -2.311417      3.156607
  H      -3.749308      4.679934      2.858040
  H      -4.744260      3.218949      2.682561
  H      -5.435781      5.532741      4.591397
  H      -6.031865      5.423381      2.930147
  H      -7.689407      4.578394      4.651316
  H      -6.543415      3.277368      5.078337
  H     -11.335468      2.766381      4.827432
  H     -11.941862      0.978074      0.584478
  H     -10.331551      0.555213     -1.317247
  H      -7.908638      1.134897     -1.006283
  H      -1.820822     -1.685284      4.705142
  H      -3.438539     -1.299164      4.109354
  H      -0.796055     -0.244587      2.928871
  H      -2.409034      0.382877      2.521691
  H      -3.089901     -2.068376      2.029491
  H      -1.336300     -2.432698      1.976773
  H      -5.964410      0.594850      0.732981
  H      -4.954340      1.284261     -3.741743
  H      -2.902214      0.750758     -5.120720
  H      -0.967764     -0.380410     -4.020679
  H      -6.701822      0.323305      5.876514
  H      -7.086627      0.781173      7.547191
  H      -4.813011     -1.180798      7.019916
  H      -5.823587     -1.047295      8.469338
  H      -7.791613     -1.916472      6.981151
  H      -6.474672     -3.072584      7.374000
  H     -10.131084     -0.475379      4.105223
  H      -8.332602     -1.861950      0.067233
  H      -6.209713     -3.116218     -0.508482
  H      -4.679263     -3.803083      1.334780
  N      -5.135078      0.764982      3.719502
  H      -5.953500      1.239804      3.329018
  H      -4.781973      0.115762      3.010693
98
Coordinates from ORCA-job orca E -6478.364640347651
  N      -3.756511      3.359391      4.496861
  Mo     -4.032145      1.529393      5.230511
  N      -5.194071      1.367792      6.831228
  C      -4.625649      1.712814      8.129269
  C      -3.547327      2.771295      7.943939
  N      -2.666726      2.398932      6.805528
  C      -2.013215      3.577741      6.185384
  C      -3.011458      4.317443      5.308013
  C      -1.688783      1.338258      7.155397
  C      -1.320623      0.544287      5.905295
  N      -2.542432      0.210971      5.185440
  H      -2.455672      5.022838      4.660227
  H      -3.681009      4.942453      5.934444
  H      -1.196684      3.196008      5.556523
  H      -1.575752      4.237348      6.957055
  H      -0.790695     -0.375600      6.218114
  H      -0.603912      1.114643      5.278505
  H      -2.180604      0.662092      7.867967
  H      -0.799576      1.774422      7.645957
  H      -5.406042      2.109247      8.808606
  H      -4.201928      0.822405      8.638005
  H      -4.023582      3.726741      7.682165
  H      -2.956250      2.921223      8.865357
  C      -4.435210      3.972203      3.360277
  C      -5.670709      4.804535      3.748533
  C      -6.834858      3.973681      4.247213
  O      -7.294908      3.177273      3.117484
  C      -8.568718      2.781450      3.089875
  N      -9.377438      2.991926      4.112852
  C     -10.668936      2.593389      3.963791
  N     -11.232912      2.034915      2.911620
  C     -10.398628      1.805921      1.846873
  C     -10.892512      1.219490      0.658981
  C     -10.015430      0.984644     -0.378959
  C      -8.652053      1.324088     -0.224408
  N      -8.153473      1.890127      0.867392
  C      -9.016795      2.136820      1.881885
  C      -2.440003     -0.898898      4.248860
  C      -1.875997     -0.507481      2.872967
  C      -2.087813     -1.632072      1.870948
  O      -1.967018     -1.185926      0.490100
  C      -3.020946     -0.545647     -0.028975
  N      -4.092526     -0.290656      0.703386
  C      -5.128836      0.343788      0.097175
  N      -5.213177      0.728402     -1.162985
  C      -4.109011      0.472514     -1.934193
  C      -4.088516      0.843703     -3.298695
  C      -2.956928      0.576499     -4.044448
  C      -1.857568     -0.056181     -3.424921
  N      -1.833920     -0.424122     -2.148708
  C      -2.944626     -0.164845     -1.414821
  C      -6.296936      0.414419      6.897712
  C      -5.860317     -0.982132      7.387488
  C      -6.736478     -2.117247      6.890422
  O      -6.438489     -2.398303      5.489950
  C      -7.283826     -1.992683      4.541053
  N      -8.400618     -1.350549      4.843058
  C      -9.209872     -0.996912      3.812987
  N      -9.030244     -1.217195      2.525984
  C      -7.881466     -1.890933      2.198776
  C      -7.595868     -2.192621      0.847735
  C      -6.440475     -2.886512      0.551621
  C      -5.584406     -3.274276      1.605195
  N      -5.808194     -3.006836      2.885378
  C      -6.940180     -2.318627      3.179508
  H      -3.724640      4.629063      2.821766
  H      -4.735065      3.176675      2.664815
  H      -5.406053      5.523810      4.540679
  H      -6.000875      5.396809      2.880007
  H      -7.667577      4.587769      4.612446
  H      -6.532297      3.283588      5.053549
  H     -11.312014      2.767957      4.832217
  H     -11.950335      0.959275      0.602499
  H     -10.357448      0.532691     -1.311293
  H      -7.933087      1.121517     -1.025677
  H      -1.825579     -1.704142      4.697401
  H      -3.445893     -1.323517      4.104539
  H      -0.810706     -0.237293      2.937559
  H      -2.428566      0.380366      2.533863
  H      -3.084816     -2.073708      2.010151
  H      -1.326917     -2.418331      1.957912
  H      -5.987128      0.566062      0.737379
  H      -4.966084      1.333622     -3.722927
  H      -2.900655      0.848220     -5.099781
  H      -0.955524     -0.270240     -4.006485
  H      -6.723260      0.333296      5.890899
  H      -7.097061      0.802064      7.560812
  H      -4.828806     -1.167610      7.041491
  H      -5.842784     -1.025789      8.488700
  H      -7.807687     -1.901651      6.999009
  H      -6.492452     -3.056120      7.405905
  H     -10.123489     -0.462947      4.098158
  H      -8.295960     -1.863961      0.078182
  H      -6.176223     -3.132106     -0.477920
  H      -4.668811     -3.830286      1.379144
  N      -5.145484      0.739389      3.728542
  H      -5.964775      1.210307      3.335264
  H      -4.791174      0.090257      3.020686
98
Coordinates from ORCA-job orca E -6478.364700103130
  N      -3.748869      3.347977      4.491279
  Mo     -4.036765      1.521963      5.228743
  N      -5.205128      1.372931      6.827750
  C      -4.639452      1.723841      8.125537
  C      -3.555234      2.775549      7.937370
  N      -2.671895      2.390360      6.805755
  C      -2.006958      3.561063      6.182679
  C      -2.996813      4.304595      5.298550
  C      -1.705675      1.322471      7.164896
  C      -1.332820      0.526530      5.917915
  N      -2.550857      0.197947      5.188582
  H      -2.433840      5.001866      4.648129
  H      -3.663371      4.938376      5.919327
  H      -1.190347      3.171129      5.559162
  H      -1.568212      4.220898      6.953509
  H      -0.808380     -0.395484      6.233881
  H      -0.610056      1.093837      5.295260
  H      -2.210845      0.650814      7.872321
  H      -0.817537      1.750547      7.664378
  H      -5.420083      2.129636      8.799134
  H      -4.223035      0.834757      8.642135
  H      -4.025204      3.731542      7.667110
  H      -2.967498      2.928762      8.860452
  C      -4.422005      3.962564      3.352247
  C      -5.653007      4.803233      3.736376
  C      -6.822182      3.979351      4.235490
  O      -7.285482      3.183451      3.106730
  C      -8.558217      2.785327      3.083776
  N      -9.363970      2.996086      4.109394
  C     -10.654365      2.591914      3.967146
  N     -11.220320      2.027461      2.919359
  C     -10.390625      1.800012      1.851502
  C     -10.887548      1.207164      0.668136
  C     -10.014843      0.973314     -0.373213
  C      -8.652415      1.320326     -0.226687
  N      -8.150766      1.891954      0.861033
  C      -9.009844      2.137125      1.879141
  C      -2.438579     -0.901113      4.240209
  C      -1.873438     -0.493789      2.868957
  C      -2.069810     -1.613799      1.858712
  O      -1.951443     -1.157901      0.481042
  C      -3.014695     -0.530791     -0.035003
  N      -4.088076     -0.291498      0.700318
  C      -5.134299      0.329957      0.097986
  N      -5.226155      0.716505     -1.160708
  C      -4.120357      0.477112     -1.935233
  C      -4.108053      0.851116     -3.298941
  C      -2.974457      0.601217     -4.047690
  C      -1.864818     -0.016988     -3.431737
  N      -1.833504     -0.387861     -2.156680
  C      -2.946221     -0.145708     -1.419956
  C      -6.309475      0.421549      6.899296
  C      -5.874033     -0.973143      7.396120
  C      -6.749526     -2.110093      6.901762
  O      -6.447615     -2.398523      5.503683
  C      -7.288492     -1.994352      4.550264
  N      -8.405806     -1.350180      4.846273
  C      -9.209682     -0.996287      3.811922
  N      -9.024999     -1.219656      2.526281
  C      -7.875993     -1.896132      2.205040
  C      -7.584843     -2.199960      0.855850
  C      -6.428608     -2.895134      0.565830
  C      -5.577568     -3.282405      1.623769
  N      -5.807293     -3.013124      2.902874
  C      -6.939731     -2.323545      3.190754
  H      -3.705697      4.613902      2.814315
  H      -4.724695      3.168058      2.656662
  H      -5.385578      5.524324      4.525796
  H      -5.979186      5.393389      2.864583
  H      -7.652031      4.599246      4.597690
  H      -6.525092      3.290049      5.044624
  H     -11.293758      2.768296      4.837735
  H     -11.943985      0.940394      0.617445
  H     -10.359368      0.515541     -1.302039
  H      -7.937473      1.118792     -1.031473
  H      -1.820338     -1.706140      4.683820
  H      -3.441179     -1.330808      4.087417
  H      -0.811318     -0.213085      2.939043
  H      -2.433335      0.391228      2.534785
  H      -3.061559     -2.068655      1.991344
  H      -1.300204     -2.391545      1.942611
  H      -5.994094      0.539028      0.741218
  H      -4.993451      1.329404     -3.720310
  H      -2.924618      0.875214     -5.102665
  H      -0.960700     -0.215926     -4.015481
  H      -6.736180      0.335773      5.892745
  H      -7.109401      0.813484      7.560177
  H      -4.841522     -1.160358      7.054308
  H      -5.860306     -1.012203      8.497682
  H      -7.820848     -1.893066      7.005385
  H      -6.507991     -3.046685      7.422483
  H     -10.123009     -0.460117      4.091442
  H      -8.280427     -1.870199      0.082658
  H      -6.160004     -3.142229     -0.462228
  H      -4.661707     -3.839875      1.403148
  N      -5.151669      0.728380      3.731445
  H      -5.976127      1.193792      3.342645
  H      -4.797827      0.082241      3.020959
98
Coordinates from ORCA-job orca E -6478.364771101708
  N      -3.735500      3.331244      4.483633
  Mo     -4.041285      1.509201      5.223221
  N      -5.223520      1.378745      6.815988
  C      -4.666504      1.742720      8.114178
  C      -3.572444      2.783401      7.922505
  N      -2.682330      2.376236      6.804789
  C      -1.995525      3.532481      6.178800
  C      -2.968910      4.284061      5.282524
  C      -1.736167      1.296375      7.181538
  C      -1.351823      0.496764      5.941331
  N      -2.561654      0.176777      5.194059
  H      -2.393245      4.965954      4.627001
  H      -3.627890      4.934730      5.893756
  H      -1.178447      3.128541      5.565559
  H      -1.555578      4.191432      6.949835
  H      -0.837650     -0.428747      6.264136
  H      -0.617272      1.058289      5.327279
  H      -2.265176      0.632989      7.879174
  H      -0.851825      1.711322      7.698297
  H      -5.449479      2.163968      8.775412
  H      -4.262400      0.857401      8.646112
  H      -4.031309      3.739604      7.635923
  H      -2.992694      2.943088      8.849676
  C      -4.405939      3.947475      3.344295
  C      -5.629208      4.800859      3.723991
  C      -6.806154      3.989439      4.227482
  O      -7.275109      3.188344      3.104766
  C      -8.547059      2.789206      3.089899
  N      -9.347095      3.001415      4.120770
  C     -10.637326      2.594930      3.988438
  N     -11.208860      2.025507      2.946100
  C     -10.386819      1.798588      1.873081
  C     -10.889974      1.202867      0.694344
  C     -10.024024      0.970512     -0.353133
  C      -8.661790      1.320959     -0.216859
  N      -8.154144      1.894463      0.866758
  C      -9.006058      2.138338      1.890797
  C      -2.432058     -0.904838      4.227842
  C      -1.858847     -0.473346      2.866425
  C      -2.032501     -1.582440      1.839436
  O      -1.929382     -1.107373      0.467116
  C      -3.009204     -0.503935     -0.042971
  N      -4.085441     -0.288705      0.696182
  C      -5.147440      0.310275      0.097594
  N      -5.251904      0.695881     -1.159552
  C      -4.145038      0.479222     -1.939136
  C      -4.147963      0.851105     -3.303372
  C      -3.013588      0.623297     -4.057547
  C      -1.887705      0.029256     -3.446248
  N      -1.841994     -0.339348     -2.171091
  C      -2.955231     -0.118259     -1.428696
  C      -6.333296      0.434497      6.894411
  C      -5.908201     -0.957967      7.408359
  C      -6.782189     -2.094947      6.911515
  O      -6.463081     -2.396741      5.520585
  C      -7.289165     -1.993380      4.554113
  N      -8.407381     -1.342438      4.831586
  C      -9.195068     -0.988953      3.784548
  N      -8.994495     -1.221518      2.502926
  C      -7.845297     -1.906409      2.200590
  C      -7.537160     -2.219061      0.857390
  C      -6.379325     -2.919650      0.586671
  C      -5.545061     -3.306010      1.658183
  N      -5.792783     -3.029718      2.932888
  C      -6.925143     -2.333026      3.200979
  H      -3.684193      4.591124      2.803852
  H      -4.716316      3.154460      2.650587
  H      -5.356968      5.526131      4.507599
  H      -5.949970      5.386928      2.847084
  H      -7.630427      4.622404      4.580861
  H      -6.519598      3.304883      5.044342
  H     -11.269601      2.774019      4.864309
  H     -11.945395      0.932154      0.650832
  H     -10.372924      0.510876     -1.279056
  H      -7.953204      1.120198     -1.026941
  H      -1.810646     -1.710804      4.665141
  H      -3.429616     -1.340041      4.057932
  H      -0.800767     -0.181707      2.949483
  H      -2.424140      0.410787      2.538922
  H      -3.011819     -2.064147      1.964993
  H      -1.244635     -2.342676      1.910952
  H      -6.008230      0.501717      0.744832
  H      -5.045914      1.309596     -3.720994
  H      -2.975430      0.895147     -5.113539
  H      -0.982657     -0.151056     -4.034347
  H      -6.755630      0.338747      5.886460
  H      -7.134570      0.838162      7.546115
  H      -4.871895     -1.150901      7.081913
  H      -5.909898     -0.988987      8.510423
  H      -7.853766     -1.871388      6.997920
  H      -6.552416     -3.027891      7.443652
  H     -10.107658     -0.444752      4.048426
  H      -8.219522     -1.889303      0.073499
  H      -6.096954     -3.172699     -0.436516
  H      -4.628396     -3.868318      1.454006
  N      -5.154458      0.710514      3.729256
  H      -5.990404      1.164218      3.352424
  H      -4.794562      0.083967      3.004643
98
Coordinates from ORCA-job orca E -6478.364806571080
  N      -3.718930      3.305212      4.467327
  Mo     -4.039740      1.491076      5.222357
  N      -5.224953      1.381415      6.815274
  C      -4.670315      1.758118      8.110849
  C      -3.567682      2.788082      7.910423
  N      -2.679203      2.363180      6.798842
  C      -1.981263      3.507276      6.163370
  C      -2.946720      4.259445      5.259014
  C      -1.745286      1.276016      7.186141
  C      -1.358442      0.468649      5.952961
  N      -2.563884      0.154526      5.196663
  H      -2.365289      4.931693      4.598667
  H      -3.601919      4.920731      5.863064
  H      -1.167004      3.091384      5.554394
  H      -1.536445      4.169134      6.929190
  H      -0.852024     -0.458431      6.283020
  H      -0.616102      1.023163      5.342455
  H      -2.286867      0.621719      7.882377
  H      -0.861200      1.683903      7.708061
  H      -5.453069      2.193687      8.762737
  H      -4.274700      0.876813      8.655748
  H      -4.017343      3.745933      7.615000
  H      -2.989088      2.950939      8.837768
  C      -4.388452      3.917300      3.325217
  C      -5.609527      4.776865      3.699128
  C      -6.791965      3.973011      4.202685
  O      -7.270133      3.178220      3.079413
  C      -8.544696      2.788117      3.066019
  N      -9.344422      3.015589      4.093324
  C     -10.636415      2.613772      3.965255
  N     -11.210998      2.032827      2.930943
  C     -10.390370      1.791021      1.861078
  C     -10.896213      1.179307      0.691117
  C     -10.032453      0.932230     -0.353976
  C      -8.669768      1.286901     -0.225338
  N      -8.159293      1.873630      0.850609
  C      -9.008088      2.128543      1.873523
  C      -2.426277     -0.912894      4.216624
  C      -1.857218     -0.457597      2.861286
  C      -2.015207     -1.556474      1.821398
  O      -1.912356     -1.064279      0.455464
  C      -2.999057     -0.473430     -0.052492
  N      -4.079479     -0.278967      0.686615
  C      -5.147139      0.312968      0.092141
  N      -5.252842      0.711231     -1.160606
  C      -4.141418      0.516344     -1.940427
  C      -4.144506      0.905171     -3.299667
  C      -3.005569      0.698894     -4.053942
  C      -1.875511      0.108338     -3.448026
  N      -1.829114     -0.274889     -2.177435
  C      -2.946460     -0.074165     -1.434496
  C      -6.340665      0.446387      6.902083
  C      -5.925556     -0.943700      7.432516
  C      -6.803666     -2.081538      6.943666
  O      -6.482853     -2.392428      5.555017
  C      -7.308016     -1.995030      4.585411
  N      -8.426944     -1.344135      4.857591
  C      -9.212614     -0.994423      3.808177
  N      -9.009677     -1.231626      2.528101
  C      -7.859587     -1.915901      2.230635
  C      -7.548448     -2.231112      0.888715
  C      -6.388567     -2.929777      0.622801
  C      -5.554134     -3.309675      1.697056
  N      -5.805372     -3.030662      2.970202
  C      -6.940716     -2.337930      3.234019
  H      -3.664159      4.556311      2.782513
  H      -4.699488      3.122607      2.634078
  H      -5.334677      5.504464      4.479650
  H      -5.928073      5.361327      2.820195
  H      -7.610470      4.613117      4.557481
  H      -6.510491      3.283618      5.017071
  H     -11.266549      2.805732      4.839645
  H     -11.952097      0.907239      0.652673
  H     -10.382062      0.456900     -1.272593
  H      -7.963458      1.077259     -1.034649
  H      -1.798401     -1.719861      4.642491
  H      -3.420547     -1.352916      4.039716
  H      -0.803329     -0.152288      2.948214
  H      -2.434483      0.422559      2.543629
  H      -2.989222     -2.052393      1.936139
  H      -1.218583     -2.308243      1.887579
  H      -6.012338      0.485204      0.741002
  H      -5.046144      1.359183     -3.712989
  H      -2.967070      0.983600     -5.106264
  H      -0.967537     -0.056255     -4.036765
  H      -6.760175      0.340621      5.894155
  H      -7.141883      0.862521      7.545566
  H      -4.889679     -1.144693      7.111309
  H      -5.931420     -0.964070      8.534974
  H      -7.873729     -1.853110      7.026760
  H      -6.578785     -3.011612      7.483154
  H     -10.125043     -0.450765      4.069214
  H      -8.229121     -1.902693      0.101379
  H      -6.104372     -3.185467     -0.398872
  H      -4.634304     -3.868262      1.496681
  N      -5.161642      0.679398      3.740443
  H      -6.005648      1.124521      3.370281
  H      -4.802502      0.053059      3.014258
98
Coordinates from ORCA-job orca E -6478.364862077869
  N      -3.715408      3.305266      4.465780
  Mo     -4.039575      1.491157      5.219744
  N      -5.228783      1.382977      6.809218
  C      -4.679309      1.761932      8.106208
  C      -3.573221      2.788893      7.908095
  N      -2.682685      2.361418      6.799567
  C      -1.980205      3.502860      6.165521
  C      -2.940792      4.257094      5.257669
  C      -1.752489      1.271633      7.189460
  C      -1.362542      0.462531      5.957957
  N      -2.565150      0.153143      5.195990
  H      -2.354970      4.925062      4.596869
  H      -3.593109      4.923691      5.858817
  H      -1.165853      3.084283      5.558660
  H      -1.534812      4.163706      6.931826
  H      -0.861073     -0.466290      6.290805
  H      -0.614410      1.014652      5.351862
  H      -2.297726      0.619012      7.884737
  H      -0.868804      1.678107      7.713673
  H      -5.464298      2.199630      8.753893
  H      -4.286703      0.881228      8.654319
  H      -4.018966      3.747785      7.610138
  H      -2.997322      2.951122      8.837317
  C      -4.386244      3.920869      3.325884
  C      -5.607145      4.777664      3.705140
  C      -6.788762      3.971951      4.207621
  O      -7.266726      3.180660      3.082221
  C      -8.540624      2.787839      3.072412
  N      -9.336846      3.011900      4.103742
  C     -10.629556      2.611825      3.978389
  N     -11.208356      2.037275      2.942755
  C     -10.390327      1.797710      1.869191
  C     -10.900270      1.193604      0.697399
  C     -10.039593      0.949955     -0.351640
  C      -8.675657      1.298562     -0.224516
  N      -8.161378      1.878672      0.852818
  C      -9.007376      2.131800      1.879080
  C      -2.424384     -0.911026      4.212982
  C      -1.850412     -0.451155      2.861582
  C      -2.001165     -1.549056      1.819478
  O      -1.906370     -1.055011      0.453716
  C      -2.996839     -0.468322     -0.050010
  N      -4.074510     -0.276774      0.693316
  C      -5.146237      0.311666      0.101892
  N      -5.259874      0.706222     -1.151457
  C      -4.152287      0.511561     -1.935929
  C      -4.164731      0.894667     -3.296836
  C      -3.030246      0.686801     -4.056802
  C      -1.895365      0.100498     -3.454988
  N      -1.840045     -0.276455     -2.182629
  C      -2.952856     -0.073828     -1.433994
  C      -6.346911      0.450555      6.893034
  C      -5.939369     -0.938147      7.432018
  C      -6.816030     -2.076011      6.940413
  O      -6.486442     -2.391620      5.554793
  C      -7.306028     -1.997452      4.578948
  N      -8.426257     -1.344629      4.841675
  C      -9.205207     -0.998069      3.786066
  N      -8.993892     -1.238866      2.507827
  C      -7.842028     -1.925077      2.220450
  C      -7.522040     -2.245470      0.881557
  C      -6.359797     -2.943681      0.625313
  C      -5.532410     -3.320164      1.706367
  N      -5.792629     -3.038214      2.976812
  C      -6.929977     -2.344538      3.230960
  H      -3.663068      4.562284      2.784378
  H      -4.698467      3.128589      2.632069
  H      -5.331808      5.501121      4.489430
  H      -5.927219      5.367043      2.830459
  H      -7.606549      4.610902      4.564568
  H      -6.506390      3.280468      5.019516
  H     -11.256824      2.802080      4.854819
  H     -11.957140      0.926341      0.660562
  H     -10.391896      0.482662     -1.272707
  H      -7.971411      1.091718     -1.036905
  H      -1.797404     -1.719591      4.637001
  H      -3.417934     -1.350630      4.032200
  H      -0.797506     -0.143917      2.953013
  H      -2.427340      0.428569      2.541992
  H      -2.970252     -2.054266      1.935679
  H      -1.197444     -2.293643      1.882276
  H      -6.008612      0.482866      0.753117
  H      -5.069902      1.345206     -3.706948
  H      -2.998213      0.967383     -5.110670
  H      -0.991309     -0.066779     -4.048821
  H      -6.760053      0.340549      5.883116
  H      -7.151024      0.871662      7.529191
  H      -4.901565     -1.142075      7.118630
  H      -5.952625     -0.954613      8.534194
  H      -7.886405     -1.845779      7.015891
  H      -6.595931     -3.004459      7.484508
  H     -10.119492     -0.452909      4.040539
  H      -8.198577     -1.922660      0.089391
  H      -6.068382     -3.202024     -0.393938
  H      -4.610648     -3.878510      1.513589
  N      -5.161921      0.680516      3.737851
  H      -6.013842      1.120458      3.379838
  H      -4.798155      0.068162      3.002243
98
Coordinates from ORCA-job orca E -6478.364691124845
  N      -3.712610      3.289334      4.431795
  Mo     -4.051831      1.482499      5.197376
  N      -5.247318      1.393097      6.781495
  C      -4.703745      1.777824      8.079131
  C      -3.585568      2.792254      7.879908
  N      -2.694930      2.350215      6.777121
  C      -1.980062      3.480308      6.136661
  C      -2.931113      4.237318      5.220921
  C      -1.776411      1.254272      7.177567
  C      -1.388025      0.432432      5.953504
  N      -2.587740      0.133717      5.183433
  H      -2.336887      4.895593      4.557731
  H      -3.577464      4.914617      5.816605
  H      -1.169274      3.048612      5.533830
  H      -1.528321      4.142197      6.898231
  H      -0.900689     -0.500391      6.296273
  H      -0.627376      0.972228      5.351475
  H      -2.328930      0.611297      7.876344
  H      -0.890524      1.657681      7.700929
  H      -5.489447      2.227472      8.717573
  H      -4.322191      0.898154      8.636889
  H      -4.019504      3.754527      7.574862
  H      -3.011836      2.953483      8.810634
  C      -4.394515      3.910011      3.300818
  C      -5.603940      4.774003      3.699883
  C      -6.780730      3.978838      4.229351
  O      -7.287830      3.184479      3.118844
  C      -8.566238      2.805186      3.136404
  N      -9.343672      3.057233      4.175468
  C     -10.642974      2.669492      4.077706
  N     -11.244055      2.080908      3.062980
  C     -10.443346      1.806876      1.983431
  C     -10.976573      1.178332      0.834937
  C     -10.133249      0.897214     -0.218984
  C      -8.764207      1.234977     -0.120691
  N      -8.228349      1.838002      0.933450
  C      -9.057126      2.126805      1.964707
  C      -2.449466     -0.930695      4.200251
  C      -1.864786     -0.470509      2.853988
  C      -2.017686     -1.564266      1.807606
  O      -1.906836     -1.066949      0.443999
  C      -2.984824     -0.464039     -0.066712
  N      -4.066423     -0.261815      0.667885
  C      -5.123868      0.345623      0.069735
  N      -5.220297      0.749441     -1.182532
  C      -4.108375      0.542975     -1.957654
  C      -4.102465      0.934573     -3.316305
  C      -2.964245      0.713769     -4.067073
  C      -1.844214      0.106485     -3.458502
  N      -1.805998     -0.277754     -2.187568
  C      -2.922623     -0.062914     -1.448182
  C      -6.377478      0.474961      6.858574
  C      -5.998731     -0.910845      7.423557
  C      -6.877497     -2.044085      6.924707
  O      -6.511505     -2.383353      5.553978
  C      -7.291365     -1.985412      4.547658
  N      -8.403797     -1.304018      4.765807
  C      -9.137954     -0.949563      3.681287
  N      -8.887075     -1.203467      2.412882
  C      -7.742384     -1.918457      2.171686
  C      -7.381754     -2.253713      0.846695
  C      -6.228739     -2.981331      0.636387
  C      -5.450185     -3.371081      1.748774
  N      -5.748154     -3.075117      3.007153
  C      -6.877158     -2.352918      3.216631
  H      -3.675736      4.546997      2.748333
  H      -4.722914      3.119285      2.612415
  H      -5.308933      5.496791      4.477754
  H      -5.937403      5.364934      2.831568
  H      -7.586446      4.624022      4.601284
  H      -6.484919      3.288953      5.037710
  H     -11.255835      2.884304      4.958493
  H     -12.037096      0.922474      0.820976
  H     -10.502515      0.408394     -1.121976
  H      -8.073100      0.999188     -0.936777
  H      -1.830342     -1.745400      4.624275
  H      -3.445400     -1.362508      4.014576
  H      -0.809935     -0.171940      2.952418
  H      -2.432739      0.414410      2.532820
  H      -2.992507     -2.061109      1.915925
  H      -1.220849     -2.316194      1.874112
  H      -5.989352      0.526782      0.713456
  H      -4.996675      1.401711     -3.731701
  H      -2.917350      1.001047     -5.118634
  H      -0.937748     -0.072481     -4.045246
  H      -6.774265      0.355570      5.843457
  H      -7.187175      0.915082      7.474321
  H      -4.956691     -1.130638      7.136061
  H      -6.036360     -0.913269      8.524837
  H      -7.946285     -1.798882      6.967102
  H      -6.685547     -2.967235      7.487987
  H     -10.048229     -0.382199      3.900661
  H      -8.021989     -1.920206      0.028541
  H      -5.907331     -3.252628     -0.370180
  H      -4.536136     -3.952700      1.591837
  N      -5.181026      0.670028      3.721092
  H      -6.035110      1.110091      3.368728
  H      -4.818290      0.057015      2.985723
98
Coordinates from ORCA-job orca E -6478.364869560762
  N      -3.703384      3.297775      4.450928
  Mo     -4.041991      1.487814      5.210487
  N      -5.232464      1.394259      6.797361
  C      -4.686022      1.776527      8.094526
  C      -3.565604      2.788481      7.894980
  N      -2.679126      2.346889      6.788480
  C      -1.963283      3.477183      6.149743
  C      -2.915692      4.239840      5.240341
  C      -1.761768      1.247745      7.182882
  C      -1.379275      0.427366      5.955061
  N      -2.581938      0.135306      5.187044
  H      -2.321325      4.898001      4.577041
  H      -3.556911      4.917737      5.840830
  H      -1.155919      3.044888      5.542690
  H      -1.506802      4.135252      6.911719
  H      -0.895183     -0.508519      6.294595
  H      -0.617171      0.965641      5.353032
  H      -2.312340      0.603892      7.882640
  H      -0.872858      1.648810      7.703507
  H      -5.469632      2.226108      8.735569
  H      -4.304547      0.895397      8.649926
  H      -3.997668      3.752520      7.592877
  H      -2.988704      2.946110      8.824378
  C      -4.388090      3.926092      3.325832
  C      -5.604204      4.777685      3.730376
  C      -6.785133      3.968946      4.228595
  O      -7.269036      3.192986      3.094667
  C      -8.546137      2.808833      3.076505
  N      -9.347937      3.032023      4.104065
  C     -10.643746      2.643436      3.966309
  N     -11.218666      2.078753      2.923036
  C     -10.390700      1.831309      1.856667
  C     -10.893025      1.227007      0.681887
  C     -10.022156      0.970409     -0.356554
  C      -8.657540      1.309694     -0.217230
  N      -8.150379      1.891116      0.862224
  C      -9.005756      2.155018      1.878804
  C      -2.450542     -0.926409      4.199525
  C      -1.879245     -0.461190      2.849042
  C      -2.049654     -1.549005      1.798322
  O      -1.965941     -1.045476      0.434586
  C      -3.052455     -0.439546     -0.056098
  N      -4.122777     -0.237540      0.695442
  C      -5.189242      0.372125      0.113962
  N      -5.304988      0.777422     -1.136203
  C      -4.206153      0.569280     -1.928731
  C      -4.222792      0.959488     -3.287804
  C      -3.097938      0.735837     -4.057038
  C      -1.968323      0.128132     -3.466168
  N      -1.908940     -0.254354     -2.195489
  C      -3.012684     -0.037275     -1.438152
  C      -6.362954      0.475938      6.875452
  C      -5.987376     -0.905757      7.452097
  C      -6.867170     -2.042792      6.963787
  O      -6.498544     -2.400682      5.599233
  C      -7.277421     -2.019313      4.586197
  N      -8.392709     -1.339107      4.792361
  C      -9.125597     -1.003275      3.701162
  N      -8.869189     -1.272162      2.436832
  C      -7.721970     -1.987167      2.208749
  C      -7.354652     -2.337377      0.889468
  C      -6.200474     -3.066740      0.692566
  C      -5.428069     -3.444336      1.813043
  N      -5.730980     -3.132431      3.066310
  C      -6.860108     -2.406634      3.262109
  H      -3.672950      4.573977      2.781280
  H      -4.711628      3.140670      2.629081
  H      -5.320820      5.485220      4.526291
  H      -5.929212      5.385371      2.870556
  H      -7.599314      4.604030      4.599570
  H      -6.498926      3.265700      5.028997
  H     -11.279012      2.834199      4.837551
  H     -11.952100      0.969400      0.636562
  H     -10.366363      0.499414     -1.278007
  H      -7.945150      1.093264     -1.020412
  H      -1.827524     -1.742654      4.615076
  H      -3.448054     -1.357805      4.021841
  H      -0.821870     -0.168034      2.936755
  H      -2.446444      0.428090      2.538994
  H      -3.021063     -2.047958      1.922250
  H      -1.250231     -2.299768      1.845593
  H      -6.043421      0.556635      0.770401
  H      -5.123423      1.427400     -3.688995
  H      -3.068221      1.022142     -5.109621
  H      -1.072146     -0.052902     -4.067503
  H      -6.757072      0.350369      5.860001
  H      -7.173856      0.920308      7.486499
  H      -4.944982     -1.129936      7.168661
  H      -6.026466     -0.897624      8.552944
  H      -7.936031     -1.795355      7.000960
  H      -6.678303     -2.959034      7.538796
  H     -10.038866     -0.435770      3.910391
  H      -7.991651     -2.014656      0.065054
  H      -5.873803     -3.349301     -0.309366
  H      -4.514383     -4.029145      1.666992
  N      -5.180940      0.683775      3.737588
  H      -6.040813      1.122926      3.400178
  H      -4.820675      0.085381      2.989905
98
Coordinates from ORCA-job orca E -6478.364787579879
  N      -3.719803      3.304711      4.447771
  Mo     -4.044246      1.491156      5.204572
  N      -5.233613      1.388348      6.793239
  C      -4.687042      1.773864      8.089453
  C      -3.576772      2.796213      7.888419
  N      -2.686381      2.360059      6.782802
  C      -1.977586      3.494883      6.143523
  C      -2.935911      4.251671      5.235937
  C      -1.762517      1.268233      7.179484
  C      -1.372695      0.452722      5.951697
  N      -2.572710      0.149776      5.182768
  H      -2.347347      4.914951      4.572554
  H      -3.581962      4.923362      5.838317
  H      -1.167287      3.067851      5.536714
  H      -1.525881      4.156257      6.905586
  H      -0.880571     -0.479164      6.290416
  H      -0.616055      0.997517      5.349143
  H      -2.310824      0.619946      7.876530
  H      -0.877948      1.674136      7.703102
  H      -5.472581      2.217297      8.732626
  H      -4.297949      0.895567      8.643803
  H      -4.018302      3.755511      7.585233
  H      -3.000768      2.960392      8.817168
  C      -4.414859      3.933480      3.329712
  C      -5.628524      4.784172      3.745773
  C      -6.805053      3.972982      4.249894
  O      -7.302388      3.207560      3.114929
  C      -8.576682      2.816151      3.110598
  N      -9.362594      3.013272      4.155078
  C     -10.656888      2.615166      4.031774
  N     -11.244371      2.064152      2.988216
  C     -10.434776      1.848617      1.902258
  C     -10.952881      1.264259      0.723844
  C     -10.099524      1.041982     -0.336168
  C      -8.736469      1.395421     -0.214549
  N      -8.215247      1.958159      0.868250
  C      -9.053161      2.186897      1.906698
  C      -2.429770     -0.915176      4.200138
  C      -1.854076     -0.453766      2.849657
  C      -1.999934     -1.552488      1.807137
  O      -1.894598     -1.060654      0.441041
  C      -2.980362     -0.473910     -0.073574
  N      -4.065797     -0.280886      0.658471
  C      -5.131612      0.306532      0.054291
  N      -5.231990      0.696927     -1.201760
  C      -4.116342      0.500041     -1.974084
  C      -4.115060      0.878040     -3.336575
  C      -2.972748      0.667919     -4.083937
  C      -1.843516      0.085628     -3.467742
  N      -1.801011     -0.286044     -2.193508
  C      -2.922143     -0.082316     -1.457696
  C      -6.353202      0.457247      6.877089
  C      -5.953270     -0.924667      7.437937
  C      -6.828268     -2.067840      6.955342
  O      -6.484778     -2.408011      5.579743
  C      -7.290452     -2.024993      4.588809
  N      -8.412449     -1.367897      4.830142
  C      -9.174884     -1.028778      3.760734
  N      -8.943401     -1.277012      2.487537
  C      -7.791421     -1.970902      2.222699
  C      -7.451917     -2.300758      0.891115
  C      -6.293608     -3.013152      0.658082
  C      -5.489443     -3.392860      1.755046
  N      -5.765106     -3.097237      3.019162
  C      -6.898529     -2.389622      3.250469
  H      -3.704791      4.583585      2.781393
  H      -4.741733      3.148728      2.634057
  H      -5.339131      5.490151      4.540871
  H      -5.959914      5.392996      2.888726
  H      -7.615365      4.605697      4.634417
  H      -6.511522      3.263308      5.042312
  H     -11.278240      2.782597      4.917546
  H     -12.009529      0.994508      0.691597
  H     -10.457177      0.586583     -1.261040
  H      -8.037065      1.204965     -1.034984
  H      -1.802201     -1.722927      4.624890
  H      -3.422448     -1.356752      4.019301
  H      -0.801235     -0.146965      2.944685
  H      -2.430283      0.425873      2.528674
  H      -2.970324     -2.055991      1.918606
  H      -1.197338     -2.297893      1.875494
  H      -6.001223      0.482174      0.694975
  H      -5.016214      1.326433     -3.757679
  H      -2.929920      0.944864     -5.138361
  H      -0.932935     -0.082815     -4.051057
  H      -6.758190      0.336163      5.865323
  H      -7.162078      0.887105      7.501777
  H      -4.913125     -1.136246      7.137350
  H      -5.976084     -0.924673      8.539790
  H      -7.898815     -1.833101      7.015698
  H      -6.617837     -2.987853      7.517057
  H     -10.093566     -0.482865      3.997590
  H      -8.112294     -1.975258      0.085831
  H      -5.988298     -3.281098     -0.354384
  H      -4.573656     -3.966684      1.581025
  N      -5.175490      0.678354      3.730475
  H      -6.036360      1.111884      3.387071
  H      -4.812474      0.080562      2.983287
98
Coordinates from ORCA-job orca E -6478.364776169592
  N      -3.685868      3.289776      4.436533
  Mo     -4.029357      1.483947      5.206254
  N      -5.229181      1.400932      6.787665
  C      -4.689271      1.790824      8.085142
  C      -3.568316      2.802037      7.884708
  N      -2.675950      2.354378      6.785569
  C      -1.956445      3.480543      6.142830
  C      -2.903185      4.237633      5.223907
  C      -1.760837      1.258059      7.191783
  C      -1.368583      0.433536      5.971571
  N      -2.564999      0.135579      5.196449
  H      -2.306045      4.893027      4.560464
  H      -3.548920      4.917863      5.817122
  H      -1.145989      3.043955      5.543022
  H      -1.503912      4.144003      6.902626
  H      -0.885185     -0.499393      6.319086
  H      -0.604008      0.969829      5.372100
  H      -2.317249      0.617652      7.889329
  H      -0.876697      1.660583      7.717807
  H      -5.476047      2.245858      8.718368
  H      -4.311730      0.913195      8.648858
  H      -3.999232      3.764542      7.576046
  H      -2.996184      2.964413      8.816109
  C      -4.375254      3.912498      3.311942
  C      -5.595242      4.760527      3.715714
  C      -6.769991      3.946945      4.219455
  O      -7.262127      3.174892      3.087306
  C      -8.533217      2.774402      3.086600
  N      -9.319455      2.977132      4.128722
  C     -10.610955      2.569455      4.010377
  N     -11.196224      2.001745      2.974386
  C     -10.386478      1.782036      1.889582
  C     -10.903643      1.185869      0.715935
  C     -10.052998      0.969214     -0.347093
  C      -8.692677      1.338318     -0.232516
  N      -8.172284      1.910143      0.846568
  C      -9.007598      2.133438      1.887779
  C      -2.421630     -0.925614      4.210934
  C      -1.858493     -0.451296      2.860305
  C      -1.998396     -1.544519      1.812268
  O      -1.913145     -1.038416      0.450629
  C      -3.017588     -0.477199     -0.049559
  N      -4.104834     -0.332389      0.690547
  C      -5.189847      0.235065      0.102704
  N      -5.307027      0.648418     -1.144474
  C      -4.188531      0.503080     -1.924656
  C      -4.202029      0.915089     -3.277046
  C      -3.056264      0.757077     -4.032449
  C      -1.909674      0.190517     -3.434935
  N      -1.852511     -0.210569     -2.170380
  C      -2.976545     -0.056676     -1.426003
  C      -6.362764      0.488031      6.867088
  C      -5.989554     -0.897843      7.437543
  C      -6.875052     -2.030383      6.947873
  O      -6.522515     -2.372416      5.574558
  C      -7.317050     -1.985939      4.575711
  N      -8.440549     -1.327757      4.804635
  C      -9.190203     -0.985589      3.727479
  N      -8.944805     -1.231826      2.456472
  C      -7.791438     -1.927189      2.204050
  C      -7.439440     -2.259704      0.876092
  C      -6.281025     -2.975918      0.656214
  C      -5.487728     -3.354852      1.761665
  N      -5.775701     -3.057282      3.022116
  C      -6.910627     -2.348533      3.241210
  H      -3.663972      4.562393      2.765304
  H      -4.694629      3.123541      2.617984
  H      -5.312531      5.472422      4.508159
  H      -5.926367      5.363560      2.854695
  H      -7.583552      4.578333      4.599792
  H      -6.475475      3.240072      5.013709
  H     -11.231734      2.740251      4.895297
  H     -11.958748      0.907674      0.688095
  H     -10.410596      0.508992     -1.270426
  H      -7.995305      1.156250     -1.056539
  H      -1.786592     -1.731680      4.627129
  H      -3.412905     -1.371663      4.033738
  H      -0.808836     -0.131931      2.949874
  H      -2.448107      0.422781      2.547455
  H      -2.960936     -2.063205      1.927414
  H      -1.184187     -2.278799      1.867831
  H      -6.064122      0.364671      0.749711
  H      -5.116648      1.348004     -3.683554
  H      -3.024015      1.061387     -5.079530
  H      -0.997153      0.060572     -4.025618
  H      -6.759394      0.367037      5.852583
  H      -7.171395      0.933189      7.481041
  H      -4.950092     -1.125008      7.147450
  H      -6.023309     -0.894394      8.539361
  H      -7.942336     -1.781990      6.999178
  H      -6.681620     -2.953216      7.511707
  H     -10.112742     -0.443822      3.956590
  H      -8.090984     -1.934236      0.062864
  H      -5.967686     -3.247757     -0.352452
  H      -4.570772     -3.930531      1.597931
  N      -5.161735      0.664305      3.733585
  H      -6.027623      1.092676      3.393628
  H      -4.794308      0.071680      2.982563
98
Coordinates from ORCA-job orca E -6478.364670703084
  N      -3.682744      3.292792      4.427905
  Mo     -4.038779      1.489392      5.194020
  N      -5.244012      1.415195      6.771308
  C      -4.705093      1.802153      8.070097
  C      -3.575205      2.804102      7.871856
  N      -2.682346      2.346513      6.776813
  C      -1.950151      3.465617      6.135596
  C      -2.886920      4.232204      5.212793
  C      -1.779354      1.241602      7.187396
  C      -1.390818      0.411959      5.967822
  N      -2.588091      0.126257      5.188345
  H      -2.280095      4.876824      4.547447
  H      -3.523462      4.923341      5.803066
  H      -1.141815      3.020590      5.539444
  H      -1.493708      4.124984      6.896538
  H      -0.918500     -0.526435      6.316670
  H      -0.618126      0.940318      5.370649
  H      -2.344047      0.606268      7.883501
  H      -0.892817      1.636533      7.716464
  H      -5.489690      2.263818      8.701413
  H      -4.336186      0.922202      8.635468
  H      -3.997486      3.768519      7.557926
  H      -3.004861      2.965153      8.804704
  C      -4.365687      3.918889      3.300823
  C      -5.580604      4.774379      3.700994
  C      -6.754723      3.967617      4.217695
  O      -7.242491      3.168631      3.101914
  C      -8.511715      2.762068      3.116090
  N      -9.291355      2.982327      4.161205
  C     -10.582799      2.570565      4.059822
  N     -11.173130      1.984641      3.037147
  C     -10.369467      1.743642      1.951203
  C     -10.893630      1.127462      0.792397
  C     -10.048948      0.888012     -0.271417
  C      -8.687173      1.250954     -0.170800
  N      -8.159440      1.841873      0.894008
  C      -8.990514      2.092362      1.934270
  C      -2.450321     -0.932408      4.198252
  C      -1.869133     -0.462328      2.853262
  C      -2.036887     -1.542429      1.794734
  O      -1.940687     -1.028891      0.435713
  C      -3.016739     -0.403484     -0.052969
  N      -4.081704     -0.182483      0.700223
  C      -5.137951      0.445384      0.119965
  N      -5.249262      0.851434     -1.129913
  C      -4.155320      0.625268     -1.924065
  C      -4.168185      1.013794     -3.283620
  C      -3.048543      0.771262     -4.054281
  C      -1.927303      0.147100     -3.464047
  N      -1.872302     -0.235646     -2.193435
  C      -2.971431     -0.000500     -1.434737
  C      -6.386018      0.510738      6.846428
  C      -6.030284     -0.874107      7.427964
  C      -6.923002     -2.000694      6.938769
  O      -6.554566     -2.370227      5.577099
  C      -7.329854     -1.994121      4.558940
  N      -8.448359     -1.316155      4.757049
  C      -9.178543     -0.988939      3.661056
  N      -8.917290     -1.265609      2.399071
  C      -7.769026     -1.982340      2.179364
  C      -7.399580     -2.347304      0.864719
  C      -6.245298     -3.079453      0.677232
  C      -5.476781     -3.448538      1.802979
  N      -5.782154     -3.123328      3.052698
  C      -6.909674     -2.392704      3.238793
  H      -3.649955      4.562198      2.751939
  H      -4.691977      3.129770      2.609520
  H      -5.295135      5.492779      4.486399
  H      -5.910824      5.369835      2.834485
  H      -7.570433      4.604185      4.583557
  H      -6.460105      3.280600      5.029220
  H     -11.199370      2.759779      4.944536
  H     -11.949029      0.853216      0.776024
  H     -10.413385      0.416312     -1.184750
  H      -7.995979      1.049495     -0.995969
  H      -1.830646     -1.749776      4.615956
  H      -3.446938     -1.362560      4.011674
  H      -0.811280     -0.174018      2.949990
  H      -2.430458      0.431487      2.544939
  H      -3.012005     -2.036529      1.907773
  H      -1.242096     -2.297835      1.842346
  H      -5.989507      0.639622      0.776113
  H      -5.062124      1.495070     -3.684121
  H      -3.016662      1.055038     -5.107486
  H      -1.034587     -0.047560     -4.066241
  H      -6.777080      0.388001      5.829264
  H      -7.194680      0.966281      7.452586
  H      -4.989507     -1.113637      7.150582
  H      -6.074843     -0.862286      8.528930
  H      -7.988682     -1.738607      6.970567
  H      -6.749169     -2.917112      7.518488
  H     -10.096357     -0.426728      3.863537
  H      -8.033734     -2.032059      0.036151
  H      -5.915485     -3.370394     -0.321531
  H      -4.564728     -4.038268      1.665392
  N      -5.175218      0.682468      3.720990
  H      -6.040832      1.115215      3.389628
  H      -4.811723      0.095705      2.964923
98
Coordinates from ORCA-job orca E -6478.364865166702
  N      -3.711155      3.275151      4.434077
  Mo     -4.038022      1.469195      5.208053
  N      -5.224308      1.381888      6.798615
  C      -4.676024      1.777085      8.091024
  C      -3.561096      2.792836      7.879831
  N      -2.674921      2.344581      6.775619
  C      -1.963799      3.471451      6.124967
  C      -2.920170      4.224686      5.211498
  C      -1.753731      1.252016      7.178309
  C      -1.369329      0.423944      5.955964
  N      -2.571347      0.123445      5.189439
  H      -2.328021      4.876704      4.540106
  H      -3.559745      4.907840      5.807803
  H      -1.156966      3.035042      5.520223
  H      -1.506734      4.137516      6.879596
  H      -0.882976     -0.508571      6.301664
  H      -0.608600      0.959940      5.349911
  H      -2.301429      0.611040      7.883101
  H      -0.865685      1.659979      7.695335
  H      -5.459563      2.228948      8.730696
  H      -4.289323      0.902481      8.652911
  H      -3.998597      3.751707      7.569556
  H      -2.982375      2.961824      8.806096
  C      -4.405205      3.893858      3.308930
  C      -5.621527      4.746917      3.711657
  C      -6.805177      3.942823      4.210536
  O      -7.295214      3.168835      3.077802
  C      -8.575087      2.794745      3.063286
  N      -9.371151      3.024399      4.094198
  C     -10.670576      2.646970      3.961117
  N     -11.254432      2.090600      2.918414
  C     -10.433214      1.837480      1.848137
  C     -10.945596      1.237503      0.675775
  C     -10.080583      0.969766     -0.364792
  C      -8.712417      1.294756     -0.230333
  N      -8.195352      1.871943      0.847011
  C      -9.044988      2.146142      1.866132
  C      -2.433017     -0.938474      4.202283
  C      -1.864461     -0.469211      2.851403
  C      -2.030879     -1.553875      1.796742
  O      -1.933454     -1.045338      0.435366
  C      -3.011674     -0.429520     -0.061948
  N      -4.085741     -0.220372      0.681886
  C      -5.143606      0.397206      0.093266
  N      -5.246998      0.806704     -1.156419
  C      -4.143710      0.592535     -1.940949
  C      -4.147571      0.985069     -3.299515
  C      -3.018503      0.755394     -4.060402
  C      -1.897010      0.140036     -3.461457
  N      -1.850065     -0.245778     -2.191328
  C      -2.958397     -0.023466     -1.442447
  C      -6.351189      0.459852      6.887840
  C      -5.966216     -0.917715      7.467159
  C      -6.849358     -2.057189      6.992181
  O      -6.500225     -2.411149      5.622053
  C      -7.293947     -2.024389      4.622926
  N      -8.407945     -1.348687      4.850899
  C      -9.154447     -1.000214      3.772759
  N      -8.909626     -1.247997      2.501730
  C      -7.762750     -1.956097      2.250591
  C      -7.404820     -2.279437      0.922051
  C      -6.249663     -3.000763      0.701778
  C      -5.467761     -3.398522      1.808627
  N      -5.761097     -3.111043      3.070210
  C      -6.890037     -2.391667      3.288866
  H      -3.694813      4.540390      2.756675
  H      -4.729861      3.102281      2.619286
  H      -5.337844      5.455965      4.506099
  H      -5.943847      5.352986      2.849624
  H      -7.616557      4.581129      4.582095
  H      -6.521682      3.239997      5.012478
  H     -11.302232      2.845194      4.833285
  H     -12.006815      0.989604      0.634660
  H     -10.433181      0.500170     -1.283446
  H      -8.005684      1.069273     -1.036034
  H      -1.804012     -1.749702      4.618415
  H      -3.427678     -1.377139      4.025301
  H      -0.807991     -0.173499      2.940692
  H      -2.433804      0.419420      2.543752
  H      -3.005294     -2.048660      1.911976
  H      -1.235057     -2.307946      1.847766
  H      -6.000196      0.587396      0.743559
  H      -5.042240      1.459549     -3.706949
  H      -2.979259      1.043254     -5.112316
  H      -0.996870     -0.044223     -4.055683
  H      -6.752285      0.329238      5.875264
  H      -7.159575      0.903481      7.502958
  H      -4.926235     -1.142087      7.174334
  H      -5.994582     -0.904683      8.568267
  H      -7.918369     -1.812065      7.044499
  H      -6.650205     -2.973374      7.563736
  H     -10.065089     -0.434818      3.999215
  H      -8.048455     -1.941194      0.109320
  H      -5.928970     -3.261125     -0.308231
  H      -4.554075     -3.978301      1.644274
  N      -5.179407      0.645852      3.747901
  H      -6.048573      1.071809      3.418636
  H      -4.817370      0.054777      2.995420
98
Coordinates from ORCA-job orca E -6478.364931687123
  N      -3.687207      3.271599      4.415606
  Mo     -4.030682      1.470484      5.195119
  N      -5.229277      1.397922      6.778159
  C      -4.688076      1.798021      8.072061
  C      -3.566075      2.806293      7.862964
  N      -2.674578      2.347265      6.767711
  C      -1.951690      3.466506      6.116563
  C      -2.897266      4.220991      5.193945
  C      -1.763356      1.251217      7.182356
  C      -1.371809      0.418577      5.967022
  N      -2.568027      0.119789      5.191231
  H      -2.298251      4.868351      4.524296
  H      -3.538397      4.908627      5.783584
  H      -1.143197      3.022837      5.519310
  H      -1.496272      4.133650      6.871377
  H      -0.891602     -0.514106      6.319977
  H      -0.604803      0.949491      5.365488
  H      -2.322342      0.616092      7.882872
  H      -0.878661      1.654573      7.707254
  H      -5.473652      2.259102      8.702518
  H      -4.311186      0.924679      8.642702
  H      -3.995943      3.766274      7.545339
  H      -2.993262      2.976406      8.792598
  C      -4.380389      3.891276      3.291604
  C      -5.594417      4.746764      3.697543
  C      -6.774053      3.942810      4.205529
  O      -7.272265      3.168648      3.077143
  C      -8.548234      2.782684      3.074816
  N      -9.336068      3.000057      4.113418
  C     -10.631573      2.605594      3.993112
  N     -11.218984      2.038432      2.958121
  C     -10.407275      1.801027      1.878410
  C     -10.924867      1.196961      0.709463
  C     -10.070025      0.953825     -0.344725
  C      -8.706308      1.307006     -0.226731
  N      -8.185612      1.887755      0.847161
  C      -9.024540      2.135908      1.879978
  C      -2.421094     -0.939717      4.203648
  C      -1.854657     -0.462053      2.855188
  C      -2.002191     -1.546365      1.798524
  O      -1.909253     -1.029374      0.441142
  C      -3.006843     -0.452103     -0.056917
  N      -4.096566     -0.307672      0.679597
  C      -5.174204      0.277068      0.094310
  N      -5.281281      0.708962     -1.147580
  C      -4.160245      0.564185     -1.924137
  C      -4.163253      0.995500     -3.270754
  C      -3.014794      0.839199     -4.022152
  C      -1.875768      0.255213     -3.426244
  N      -1.828662     -0.164686     -2.167346
  C      -2.955442     -0.012607     -1.427098
  C      -6.362137      0.484611      6.866837
  C      -5.988362     -0.893664      7.454157
  C      -6.878205     -2.030159      6.982621
  O      -6.530535     -2.391127      5.613395
  C      -7.321763     -2.005166      4.611987
  N      -8.436920     -1.331216      4.836877
  C      -9.183442     -0.988313      3.757626
  N      -8.941643     -1.246866      2.488432
  C      -7.796463     -1.957390      2.240267
  C      -7.446795     -2.299130      0.914283
  C      -6.297120     -3.030673      0.698610
  C      -5.510044     -3.415073      1.806516
  N      -5.795255     -3.108108      3.065448
  C      -6.920953     -2.383353      3.280111
  H      -3.669515      4.536262      2.738470
  H      -4.706883      3.100361      2.602882
  H      -5.305584      5.458609      4.487754
  H      -5.922649      5.349820      2.835371
  H      -7.583282      4.581041      4.583276
  H      -6.484074      3.238685      5.003971
  H     -11.254294      2.789140      4.874405
  H     -11.982463      0.929476      0.679795
  H     -10.427219      0.482716     -1.262279
  H      -8.006221      1.102800     -1.043324
  H      -1.786317     -1.745881      4.620104
  H      -3.411812     -1.385945      4.023561
  H      -0.802691     -0.151158      2.947463
  H      -2.437038      0.418660      2.548011
  H      -2.969772     -2.056776      1.907889
  H      -1.194902     -2.288347      1.849507
  H      -6.049031      0.409825      0.739641
  H      -5.072291      1.441742     -3.676098
  H      -2.974774      1.158251     -5.064652
  H      -0.960809      0.127405     -4.013353
  H      -6.759054      0.352093      5.853666
  H      -7.170926      0.936107      7.475946
  H      -4.949869     -1.126777      7.164801
  H      -6.019476     -0.875094      8.555746
  H      -7.944879     -1.777790      7.033257
  H      -6.686132     -2.945843      7.558137
  H     -10.098110     -0.430827      3.982330
  H      -8.093683     -1.969013      0.099379
  H      -5.986424     -3.311565     -0.308376
  H      -4.601219     -4.004156      1.646331
  N      -5.166172      0.643560      3.729956
  H      -6.036931      1.065965      3.396221
  H      -4.798094      0.059654      2.973213
98
Coordinates from ORCA-job orca E -6478.364934691808
  N      -3.681108      3.269244      4.409856
  Mo     -4.046707      1.473180      5.189056
  N      -5.249382      1.416360      6.769775
  C      -4.707379      1.814577      8.063939
  C      -3.571930      2.807872      7.854645
  N      -2.683244      2.333711      6.763466
  C      -1.943175      3.441515      6.111920
  C      -2.876178      4.208332      5.185803
  C      -1.789722      1.224722      7.182312
  C      -1.404031      0.386631      5.968266
  N      -2.600629      0.104483      5.186177
  H      -2.266248      4.843753      4.514466
  H      -3.506591      4.908267      5.772409
  H      -1.139556      2.985585      5.517498
  H      -1.480006      4.103364      6.866688
  H      -0.938228     -0.552764      6.322963
  H      -0.626826      0.907134      5.370387
  H      -2.361421      0.597562      7.879869
  H      -0.901752      1.615187      7.711784
  H      -5.488938      2.287572      8.690609
  H      -4.343096      0.938772      8.638707
  H      -3.988456      3.771948      7.532085
  H      -2.999697      2.974212      8.785376
  C      -4.368569      3.896380      3.286286
  C      -5.575033      4.760592      3.694379
  C      -6.755273      3.962475      4.210354
  O      -7.257947      3.180465      3.089261
  C      -8.531819      2.788568      3.101473
  N      -9.309181      3.008485      4.147923
  C     -10.604142      2.607956      4.044539
  N     -11.200009      2.031791      3.019567
  C     -10.399388      1.791451      1.932049
  C     -10.928358      1.181235      0.771819
  C     -10.085783      0.939222     -0.292556
  C      -8.722170      1.297130     -0.192377
  N      -8.190355      1.882663      0.873575
  C      -9.018138      2.132086      1.915623
  C      -2.459734     -0.949137      4.190866
  C      -1.885372     -0.469716      2.846144
  C      -2.041134     -1.547889      1.783981
  O      -1.941893     -1.026699      0.428423
  C      -3.029313     -0.427951     -0.067339
  N      -4.112665     -0.255920      0.672580
  C      -5.180128      0.347665      0.087523
  N      -5.284015      0.773724     -1.156372
  C      -4.169742      0.600650     -1.936370
  C      -4.170953      1.020624     -3.286565
  C      -3.029835      0.834410     -4.041880
  C      -1.899545      0.233008     -3.446021
  N      -1.854751     -0.177781     -2.183995
  C      -2.974540      0.003142     -1.440122
  C      -6.390602      0.512931      6.856693
  C      -6.032661     -0.863415      7.457415
  C      -6.919020     -1.999361      6.977692
  O      -6.541434     -2.377709      5.620987
  C      -7.311664     -2.011124      4.595823
  N      -8.441144     -1.349320      4.784257
  C      -9.163898     -1.028009      3.681948
  N      -8.885494     -1.296445      2.422190
  C      -7.724840     -1.994996      2.211881
  C      -7.334726     -2.345251      0.899447
  C      -6.168037     -3.059933      0.721627
  C      -5.406437     -3.423434      1.854108
  N      -5.731071     -3.110222      3.102026
  C      -6.871922     -2.398855      3.279021
  H      -3.652550      4.534985      2.732238
  H      -4.703465      3.108550      2.597812
  H      -5.279713      5.473091      4.481536
  H      -5.903392      5.362723      2.831547
  H      -7.562174      4.604750      4.586086
  H      -6.464287      3.264245      5.013632
  H     -11.217890      2.795067      4.931419
  H     -11.985241      0.910939      0.755548
  H     -10.453045      0.467387     -1.205473
  H      -8.032464      1.094579     -1.018239
  H      -1.833223     -1.763391      4.604130
  H      -3.454034     -1.385118      4.005128
  H      -0.830609     -0.170087      2.942520
  H      -2.456898      0.419068      2.541587
  H      -3.013048     -2.050445      1.889909
  H      -1.240527     -2.297043      1.832476
  H      -6.048842      0.501927      0.734466
  H      -5.072972      1.481664     -3.691729
  H      -2.988615      1.143922     -5.087271
  H      -0.990099      0.082411     -4.036051
  H      -6.780462      0.375961      5.841192
  H      -7.200782      0.975411      7.455642
  H      -4.990317     -1.102925      7.187151
  H      -6.081772     -0.837905      8.558136
  H      -7.985618     -1.741946      7.002272
  H      -6.743649     -2.909602      7.566761
  H     -10.092057     -0.481526      3.876515
  H      -7.963684     -2.032679      0.064676
  H      -5.824346     -3.342838     -0.274284
  H      -4.484544     -3.999394      1.724230
  N      -5.193133      0.658499      3.727265
  H      -6.064106      1.085997      3.401699
  H      -4.832114      0.075323      2.966779
98
Coordinates from ORCA-job orca E -6478.364960749617
  N      -3.693554      3.278546      4.427014
  Mo     -4.034209      1.475147      5.201023
  N      -5.228975      1.396930      6.785719
  C      -4.685514      1.791681      8.080204
  C      -3.562504      2.799456      7.872527
  N      -2.673692      2.343824      6.773432
  C      -1.951850      3.464885      6.124289
  C      -2.898384      4.223528      5.205385
  C      -1.761380      1.246120      7.181656
  C      -1.374892      0.415262      5.962251
  N      -2.574075      0.122072      5.188780
  H      -2.298427      4.869414      4.535032
  H      -3.534810      4.913068      5.797690
  H      -1.145349      3.021866      5.523894
  H      -1.493440      4.129091      6.879785
  H      -0.896842     -0.520024      6.311680
  H      -0.606987      0.945733      5.360787
  H      -2.316543      0.608783      7.883681
  H      -0.873821      1.648825      7.703128
  H      -5.469476      2.250816      8.714133
  H      -4.308063      0.915956      8.646736
  H      -3.992107      3.760669      7.558311
  H      -2.987375      2.966374      8.801350
  C      -4.387200      3.901885      3.304537
  C      -5.602012      4.754611      3.712788
  C      -6.781731      3.947971      4.216038
  O      -7.273686      3.172396      3.085692
  C      -8.549209      2.784476      3.081921
  N      -9.337467      3.000890      4.121128
  C     -10.633469      2.608426      3.999325
  N     -11.220494      2.045672      2.961748
  C     -10.407213      1.807276      1.882164
  C     -10.924809      1.208503      0.711089
  C     -10.069164      0.965232     -0.343138
  C      -8.704482      1.311217     -0.222516
  N      -8.182912      1.885844      0.854092
  C      -9.023587      2.136825      1.886143
  C      -2.433288     -0.935991      4.197965
  C      -1.866996     -0.459258      2.848893
  C      -2.024640     -1.541715      1.791203
  O      -1.931978     -1.026342      0.432390
  C      -3.019119     -0.426220     -0.063847
  N      -4.100217     -0.244851      0.677069
  C      -5.168262      0.354761      0.088331
  N      -5.275085      0.769642     -1.159251
  C      -4.163341      0.586732     -1.939901
  C      -4.168446      0.991475     -3.294827
  C      -3.030581      0.793646     -4.051703
  C      -1.899451      0.196738     -3.452632
  N      -1.850975     -0.199530     -2.185931
  C      -2.967696     -0.007720     -1.440699
  C      -6.365215      0.486202      6.869482
  C      -6.000640     -0.892982      7.458787
  C      -6.892970     -2.025735      6.983203
  O      -6.534598     -2.396092      5.619372
  C      -7.315025     -2.015120      4.607447
  N      -8.430097     -1.335031      4.815364
  C      -9.163493     -0.997063      3.725082
  N      -8.906152     -1.260976      2.459764
  C      -7.760185     -1.977364      2.229684
  C      -7.393027     -2.325033      0.909798
  C      -6.241567     -3.058556      0.711715
  C      -5.472650     -3.444133      1.831806
  N      -5.774449     -3.133085      3.085720
  C      -6.899766     -2.402184      3.282564
  H      -3.677140      4.548838      2.752627
  H      -4.714462      3.112412      2.614122
  H      -5.315451      5.462274      4.507541
  H      -5.928381      5.362056      2.853232
  H      -7.593571      4.583716      4.591563
  H      -6.492458      3.245369      5.016120
  H     -11.258223      2.793618      4.879130
  H     -11.983349      0.946943      0.679630
  H     -10.427165      0.501610     -1.263250
  H      -8.004407      1.106934     -1.039596
  H      -1.801091     -1.746113      4.610994
  H      -3.426521     -1.377372      4.020016
  H      -0.812558     -0.156509      2.939352
  H      -2.442468      0.426607      2.543324
  H      -2.994781     -2.045121      1.904676
  H      -1.222142     -2.289036      1.839308
  H      -6.033554      0.519245      0.735226
  H      -5.070883      1.450045     -3.702481
  H      -2.992041      1.091936     -5.100622
  H      -0.992584      0.036817     -4.043920
  H      -6.758824      0.355321      5.854392
  H      -7.174649      0.940792      7.475347
  H      -4.961188     -1.131458      7.175829
  H      -6.037661     -0.873139      8.559751
  H      -7.959246     -1.767851      7.023627
  H      -6.710465     -2.939640      7.564173
  H     -10.078088     -0.432683      3.935675
  H      -8.027663     -1.996747      0.085785
  H      -5.914714     -3.338913     -0.290803
  H      -4.562663     -4.034800      1.685471
  N      -5.176865      0.655579      3.738745
  H      -6.048348      1.080940      3.413241
  H      -4.813494      0.071178      2.980671
98
Coordinates from ORCA-job orca E -6478.364976298318
  N      -3.688473      3.268667      4.415799
  Mo     -4.035378      1.468485      5.194460
  N      -5.235240      1.398774      6.776683
  C      -4.694159      1.798974      8.070567
  C      -3.569332      2.804147      7.861032
  N      -2.677759      2.341020      6.767437
  C      -1.950415      3.457291      6.115966
  C      -2.892345      4.215032      5.191804
  C      -1.770582      1.242350      7.183708
  C      -1.379955      0.408230      5.968538
  N      -2.576261      0.113738      5.190802
  H      -2.289544      4.857180      4.520470
  H      -3.529141      4.907862      5.779955
  H      -1.142993      3.010054      5.520030
  H      -1.493118      4.123330      6.870601
  H      -0.903795     -0.526393      6.322103
  H      -0.609886      0.936339      5.368137
  H      -2.332149      0.608612      7.883615
  H      -0.885150      1.643192      7.709692
  H      -5.478797      2.262942      8.700163
  H      -4.320036      0.925413      8.642540
  H      -3.996617      3.764327      7.540730
  H      -2.996964      2.974880      8.790851
  C      -4.380099      3.890140      3.291478
  C      -5.591243      4.749954      3.696608
  C      -6.773637      3.949906      4.204352
  O      -7.271417      3.173221      3.077421
  C      -8.547284      2.787194      3.077814
  N      -9.332400      3.005267      4.118785
  C     -10.628363      2.611533      4.001944
  N     -11.218439      2.045340      2.967935
  C     -10.409591      1.807395      1.885831
  C     -10.930686      1.205070      0.717869
  C     -10.078821      0.961821     -0.339010
  C      -8.714403      1.312067     -0.224280
  N      -8.189913      1.890149      0.849195
  C      -9.026426      2.139802      1.884216
  C      -2.430099     -0.943648      4.200257
  C      -1.864142     -0.464610      2.851862
  C      -2.015574     -1.546867      1.793469
  O      -1.924389     -1.027878      0.436460
  C      -3.016777     -0.434634     -0.055392
  N      -4.097457     -0.266053      0.689220
  C      -5.170765      0.330576      0.107707
  N      -5.282170      0.754260     -1.136422
  C      -4.170259      0.585989     -1.920817
  C      -4.179098      1.004451     -3.271484
  C      -3.040080      0.823472     -4.031206
  C      -1.904199      0.228871     -3.439225
  N      -1.852146     -0.180241     -2.176931
  C      -2.969922     -0.004639     -1.428784
  C      -6.370785      0.488172      6.864357
  C      -6.003528     -0.888692      7.458260
  C      -6.892513     -2.024498      6.983908
  O      -6.531833     -2.394522      5.620660
  C      -7.311153     -2.012553      4.608465
  N      -8.428314     -1.336353      4.817060
  C      -9.161058     -0.996849      3.727014
  N      -8.902529     -1.258378      2.461566
  C      -7.754940     -1.971421      2.230419
  C      -7.387220     -2.316598      0.910190
  C      -6.234495     -3.048178      0.711547
  C      -5.463860     -3.432080      1.831041
  N      -5.766519     -3.122798      3.085420
  C      -6.893915     -2.395761      3.283001
  H      -3.667333      4.532175      2.737341
  H      -4.710030      3.099569      2.603848
  H      -5.301026      5.460895      4.487070
  H      -5.916166      5.353843      2.833768
  H      -7.582220      4.590799      4.578870
  H      -6.486618      3.248422      5.006290
  H     -11.249527      2.797318      4.884082
  H     -11.988564      0.939653      0.690718
  H     -10.439577      0.493930     -1.256367
  H      -8.016978      1.107025     -1.043079
  H      -1.795450     -1.750871      4.614959
  H      -3.421314     -1.388859      4.020058
  H      -0.811355     -0.156521      2.943571
  H      -2.443950      0.418534      2.546503
  H      -2.983861     -2.054856      1.904306
  H      -1.209952     -2.290732      1.841413
  H      -6.036520      0.483860      0.758664
  H      -5.085135      1.460356     -3.673533
  H      -3.004770      1.132257     -5.077054
  H      -0.996295      0.082617     -4.032671
  H      -6.764386      0.353338      5.849810
  H      -7.180831      0.943846      7.468759
  H      -4.963322     -1.125602      7.177453
  H      -6.042559     -0.866243      8.559400
  H      -7.959176     -1.768747      7.022429
  H      -6.708794     -2.937512      7.566118
  H     -10.077654     -0.436782      3.937861
  H      -8.022289     -1.987837      0.086164
  H      -5.908389     -3.328768     -0.290923
  H      -4.553111     -4.021612      1.684565
  N      -5.174357      0.643983      3.731643
  H      -6.045573      1.067180      3.401662
  H      -4.809079      0.059808      2.974088
98
Coordinates from ORCA-job orca E -6478.364973724306
  N      -3.691083      3.276300      4.420682
  Mo     -4.037291      1.474691      5.196458
  N      -5.233293      1.401620      6.781216
  C      -4.688891      1.797994      8.074815
  C      -3.564252      2.803306      7.865294
  N      -2.675558      2.342880      6.768228
  C      -1.949945      3.460850      6.117865
  C      -2.894000      4.220802      5.197789
  C      -1.767135      1.243321      7.179560
  C      -1.380702      0.410562      5.961958
  N      -2.579318      0.118856      5.186923
  H      -2.292521      4.864726      4.526970
  H      -3.529620      4.912067      5.789023
  H      -1.144062      3.015045      5.518768
  H      -1.490695      4.124988      6.872972
  H      -0.904952     -0.525204      6.312982
  H      -0.611324      0.938594      5.360592
  H      -2.326149      0.608571      7.880611
  H      -0.879775      1.643363      7.702921
  H      -5.471837      2.260278      8.707742
  H      -4.313405      0.922702      8.643310
  H      -3.992003      3.764501      7.548597
  H      -2.989498      2.971319      8.794131
  C      -4.383804      3.900042      3.298336
  C      -5.596618      4.755806      3.706692
  C      -6.775967      3.951013      4.213715
  O      -7.270605      3.173942      3.085807
  C      -8.544635      2.781838      3.086211
  N      -9.330445      2.994628      4.127670
  C     -10.624369      2.594154      4.010773
  N     -11.211732      2.025665      2.976463
  C     -10.401778      1.792856      1.893888
  C     -10.919765      1.188504      0.725557
  C     -10.066767      0.950939     -0.331756
  C      -8.704263      1.308658     -0.217009
  N      -8.182950      1.889108      0.856620
  C      -9.020622      2.133168      1.892007
  C      -2.438369     -0.939780      4.196867
  C      -1.870990     -0.464126      2.847892
  C      -2.024929     -1.547505      1.790869
  O      -1.925461     -1.032368      0.432890
  C      -3.013716     -0.439246     -0.068142
  N      -4.100854     -0.270742      0.666989
  C      -5.169594      0.324422      0.075515
  N      -5.271138      0.745358     -1.170464
  C      -4.152600      0.576627     -1.945145
  C      -4.150602      0.992431     -3.296663
  C      -3.005189      0.810890     -4.046576
  C      -1.873818      0.218291     -3.444076
  N      -1.831858     -0.188183     -2.180519
  C      -2.955888     -0.011891     -1.441948
  C      -6.368556      0.490795      6.869383
  C      -5.999392     -0.887306      7.459123
  C      -6.889467     -2.022823      6.985771
  O      -6.535163     -2.388254      5.619527
  C      -7.323534     -2.010417      4.612785
  N      -8.446565     -1.346600      4.829503
  C      -9.188788     -1.011720      3.744495
  N      -8.934460     -1.266806      2.476859
  C      -7.780828     -1.967217      2.237392
  C      -7.416568     -2.304511      0.914126
  C      -6.257025     -3.022861      0.707062
  C      -5.476135     -3.401595      1.821225
  N      -5.775446     -3.099634      3.078148
  C      -6.909684     -2.385588      3.284002
  H      -3.672524      4.544972      2.745651
  H      -4.712637      3.110696      2.608743
  H      -5.307501      5.465248      4.498939
  H      -5.923994      5.361137      2.845876
  H      -7.586838      4.588050      4.589589
  H      -6.485772      3.249307      5.014247
  H     -11.246297      2.775461      4.893163
  H     -11.976214      0.917437      0.698490
  H     -10.425175      0.481985     -1.249477
  H      -8.005617      1.108532     -1.036032
  H      -1.806303     -1.749016      4.611515
  H      -3.431340     -1.381668      4.018173
  H      -0.817209     -0.159441      2.939685
  H      -2.447793      0.420385      2.540998
  H      -2.996223     -2.050336      1.899492
  H      -1.223301     -2.295385      1.843207
  H      -6.041292      0.477741      0.718569
  H      -5.053636      1.446803     -3.707107
  H      -2.961441      1.117724     -5.092703
  H      -0.961008      0.071277     -4.029790
  H      -6.764495      0.358429      5.855592
  H      -7.177140      0.944809      7.476946
  H      -4.960252     -1.123532      7.173866
  H      -6.034004     -0.867005      8.560434
  H      -7.956265     -1.768758      7.030597
  H      -6.701497     -2.937330      7.564274
  H     -10.110613     -0.462765      3.962196
  H      -8.059754     -1.980566      0.094571
  H      -5.933410     -3.296986     -0.298013
  H      -4.559738     -3.980655      1.667992
  N      -5.180493      0.654993      3.733816
  H      -6.051356      1.080931      3.405987
  H      -4.817330      0.071744      2.974491
98
Coordinates from ORCA-job orca E -6478.364980968669
  N      -3.686002      3.271568      4.416880
  Mo     -4.036761      1.471718      5.194467
  N      -5.236168      1.403139      6.776633
  C      -4.694502      1.801421      8.070811
  C      -3.566682      2.803501      7.861942
  N      -2.676663      2.339046      6.767618
  C      -1.946915      3.454051      6.116774
  C      -2.887162      4.215027      5.193432
  C      -1.771956      1.237647      7.182394
  C      -1.384169      0.402697      5.966541
  N      -2.581253      0.113396      5.188249
  H      -2.282514      4.855600      4.522221
  H      -3.521368      4.909746      5.782125
  H      -1.141089      3.005072      5.519946
  H      -1.487194      4.118220      6.871558
  H      -0.911705     -0.533943      6.319754
  H      -0.611617      0.928391      5.367083
  H      -2.334192      0.604938      7.882779
  H      -0.884904      1.636277      7.707488
  H      -5.478122      2.266963      8.700486
  H      -4.322526      0.926643      8.642371
  H      -3.991182      3.765206      7.542433
  H      -2.993664      2.971847      8.791807
  C      -4.377740      3.895570      3.293955
  C      -5.588889      4.753635      3.702056
  C      -6.769630      3.951374      4.210006
  O      -7.266913      3.174607      3.082945
  C      -8.542330      2.786841      3.084796
  N      -9.326710      3.005434      4.126244
  C     -10.622689      2.611240      4.010659
  N     -11.213295      2.043850      2.977632
  C     -10.404707      1.804399      1.895316
  C     -10.926580      1.201487      0.728055
  C     -10.075465      0.957837     -0.329456
  C      -8.710879      1.307632     -0.215810
  N      -8.185676      1.886524      0.856875
  C      -9.021689      2.137239      1.892256
  C      -2.438905     -0.942546      4.195513
  C      -1.872605     -0.462305      2.847825
  C      -2.027072     -1.542526      1.787617
  O      -1.933535     -1.022572      0.430970
  C      -3.024788     -0.430179     -0.064562
  N      -4.109839     -0.266076      0.674666
  C      -5.181892      0.328258      0.088272
  N      -5.288613      0.752810     -1.156033
  C      -4.172318      0.588688     -1.934857
  C      -4.175960      1.008086     -3.285280
  C      -3.032842      0.830780     -4.039610
  C      -1.898142      0.238900     -3.442593
  N      -1.850874     -0.170789     -2.180235
  C      -2.972652      0.001215     -1.437380
  C      -6.374623      0.496007      6.862502
  C      -6.013865     -0.880561      7.460657
  C      -6.905091     -2.014996      6.986783
  O      -6.539965     -2.391363      5.626323
  C      -7.314742     -2.014049      4.608760
  N      -8.433167     -1.337160      4.808450
  C      -9.160511     -1.002967      3.713065
  N      -8.895196     -1.269704      2.450070
  C      -7.746237     -1.983685      2.228310
  C      -7.371135     -2.334475      0.911560
  C      -6.217085     -3.066322      0.722277
  C      -5.452575     -3.445465      1.847617
  N      -5.762130     -3.131148      3.098913
  C      -6.890741     -2.403343      3.287266
  H      -3.665502      4.538779      2.740479
  H      -4.708377      3.106221      2.605161
  H      -5.298297      5.462771      4.494043
  H      -5.915333      5.359499      2.841299
  H      -7.578852      4.590386      4.586028
  H      -6.480419      3.249710      5.010931
  H     -11.243490      2.797472      4.892881
  H     -11.984666      0.936858      0.701834
  H     -10.437026      0.490546     -1.246717
  H      -8.014038      1.103066     -1.035349
  H      -1.806055     -1.752493      4.607680
  H      -3.431598     -1.384545      4.015615
  H      -0.818968     -0.157076      2.939537
  H      -2.450072      0.422811      2.543935
  H      -2.996798     -2.048107      1.897668
  H      -1.223401     -2.288587      1.834913
  H      -6.051622      0.477575      0.734408
  H      -5.081359      1.461744     -3.691391
  H      -2.993252      1.140637     -5.085032
  H      -0.987132      0.095204     -4.031866
  H      -6.765439      0.360289      5.847098
  H      -7.185103      0.955402      7.463401
  H      -4.973638     -1.121723      7.183452
  H      -6.055706     -0.854969      8.561510
  H      -7.971113     -1.755946      7.020640
  H      -6.726389     -2.926410      7.572984
  H     -10.078737     -0.442646      3.916936
  H      -8.002002     -2.010114      0.082755
  H      -5.885253     -3.350683     -0.277282
  H      -4.540638     -4.034950      1.708468
  N      -5.179988      0.651609      3.732301
  H      -6.051526      1.076859      3.405804
  H      -4.816317      0.068761      2.972932
98
Coordinates from ORCA-job orca E -6478.364980234223
  N      -3.690655      3.270902      4.418295
  Mo     -4.035326      1.469958      5.195810
  N      -5.233386      1.397784      6.779085
  C      -4.691078      1.796916      8.072756
  C      -3.567088      2.802985      7.862889
  N      -2.676351      2.341377      6.767920
  C      -1.950479      3.458708      6.116618
  C      -2.893702      4.216815      5.193954
  C      -1.767740      1.243181      7.182311
  C      -1.378580      0.409343      5.966203
  N      -2.575790      0.115735      5.189611
  H      -2.291472      4.859066      4.522182
  H      -3.529593      4.909591      5.783103
  H      -1.143522      3.012293      5.519432
  H      -1.492584      4.124323      6.871246
  H      -0.902605     -0.525686      6.319001
  H      -0.608662      0.937358      5.365403
  H      -2.327323      0.608720      7.883232
  H      -0.881550      1.644713      7.706645
  H      -5.475202      2.259671      8.703900
  H      -4.315607      0.923010      8.643304
  H      -3.995406      3.763026      7.543547
  H      -2.993804      2.973534      8.792185
  C      -4.383289      3.892702      3.294641
  C      -5.595506      4.750357      3.700895
  C      -6.776971      3.948056      4.207149
  O      -7.272576      3.171257      3.079333
  C      -8.547840      2.783044      3.079282
  N      -9.333239      2.998883      4.120615
  C     -10.628702      2.603625      4.003265
  N     -11.217882      2.037884      2.968497
  C     -10.408432      1.801712      1.886205
  C     -10.928610      1.200308      0.717460
  C     -10.076243      0.959101     -0.339628
  C      -8.712229      1.310205     -0.224261
  N      -8.188533      1.887491      0.849998
  C      -9.025701      2.135534      1.885103
  C      -2.431649     -0.942341      4.199310
  C      -1.865876     -0.464723      2.850322
  C      -2.019395     -1.547374      1.792560
  O      -1.925458     -1.029997      0.434971
  C      -3.014226     -0.431186     -0.058566
  N      -4.094111     -0.253860      0.685119
  C      -5.163957      0.346522      0.100991
  N      -5.273149      0.765902     -1.144791
  C      -4.162054      0.588647     -1.928154
  C      -4.168872      1.000971     -3.280732
  C      -3.030914      0.810488     -4.039573
  C      -1.897992      0.212910     -3.444771
  N      -1.847980     -0.190799     -2.180613
  C      -2.964793     -0.006085     -1.433407
  C      -6.369074      0.487181      6.866592
  C      -6.002204     -0.890093      7.459457
  C      -6.892571     -2.025124      6.985709
  O      -6.534495     -2.394178      5.621487
  C      -7.316521     -2.013065      4.611018
  N      -8.435494     -1.340550      4.822120
  C      -9.170584     -1.001435      3.733455
  N      -8.912259     -1.259128      2.467146
  C      -7.762673     -1.968249      2.233481
  C      -7.394404     -2.308572      0.912118
  C      -6.239046     -3.035186      0.710767
  C      -5.466837     -3.420035      1.828852
  N      -5.769918     -3.115414      3.084236
  C      -6.899533     -2.392453      3.284377
  H      -3.671587      4.536143      2.740766
  H      -4.712670      3.102204      2.606581
  H      -5.306436      5.460026      4.492930
  H      -5.920660      5.355526      2.839103
  H      -7.586851      4.587189      4.581705
  H      -6.489173      3.246678      5.008906
  H     -11.250431      2.787695      4.885408
  H     -11.986230      0.934238      0.689858
  H     -10.436521      0.492499     -1.257661
  H      -8.014412      1.107010     -1.043293
  H      -1.797430     -1.750055      4.613759
  H      -3.423514     -1.386664      4.020445
  H      -0.812549     -0.158309      2.941400
  H      -2.444244      0.419222      2.544498
  H      -2.989125     -2.052345      1.903312
  H      -1.215923     -2.293485      1.841797
  H      -6.028684      0.507251      0.750826
  H      -5.072588      1.459728     -3.684982
  H      -2.994049      1.114494     -5.086811
  H      -0.990876      0.059302     -4.037481
  H      -6.763054      0.353237      5.852052
  H      -7.178795      0.942596      7.471615
  H      -4.962495     -1.127919      7.177304
  H      -6.039717     -0.867899      8.560575
  H      -7.959176     -1.769164      7.026504
  H      -6.707986     -2.938653      7.566742
  H     -10.088634     -0.444278      3.946349
  H      -8.030956     -1.979830      0.089428
  H      -5.911804     -3.310776     -0.292815
  H      -4.553807     -4.005442      1.680158
  N      -5.176597      0.646678      3.733966
  H      -6.047757      1.070952      3.405568
  H      -4.812682      0.062205      2.976070
98
Coordinates from ORCA-job orca E -6478.364984133362
  N      -3.688169      3.271117      4.417027
  Mo     -4.036030      1.470793      5.194653
  N      -5.234825      1.400560      6.777421
  C      -4.692737      1.799586      8.071206
  C      -3.566917      2.803667      7.861563
  N      -2.676460      2.340286      6.767138
  C      -1.948454      3.456262      6.115945
  C      -2.890065      4.215832      5.192876
  C      -1.769967      1.240506      7.182049
  C      -1.381378      0.405954      5.966263
  N      -2.578411      0.114581      5.188624
  H      -2.286549      4.857017      4.521245
  H      -3.525005      4.909768      5.781697
  H      -1.142085      3.008402      5.519037
  H      -1.489632      4.121193      6.870615
  H      -0.907357     -0.529901      6.319458
  H      -0.609991      0.932607      5.366183
  H      -2.331090      0.607085      7.882655
  H      -0.883423      1.640521      7.706894
  H      -5.476555      2.263895      8.701574
  H      -4.318967      0.925384      8.642455
  H      -3.993394      3.764395      7.541790
  H      -2.993830      2.973452      8.791119
  C      -4.380460      3.894006      3.293841
  C      -5.592017      4.752030      3.701164
  C      -6.773060      3.949844      4.208523
  O      -7.269641      3.172984      3.081238
  C      -8.544811      2.784476      3.082394
  N      -9.329587      3.001062      4.123970
  C     -10.625016      2.605314      4.007822
  N     -11.214777      2.038316      2.974073
  C     -10.405938      1.801325      1.891521
  C     -10.926706      1.198490      0.723724
  C     -10.074992      0.956674     -0.333716
  C      -8.710992      1.308523     -0.219579
  N      -8.186860      1.887323      0.853654
  C      -9.023357      2.135900      1.889078
  C      -2.435020     -0.942457      4.197149
  C      -1.869032     -0.463448      2.848820
  C      -2.022323     -1.544942      1.789812
  O      -1.927620     -1.026256      0.432799
  C      -3.017898     -0.432132     -0.062846
  N      -4.101717     -0.263886      0.677242
  C      -5.172859      0.332177      0.091035
  N      -5.279726      0.754900     -1.153854
  C      -4.164593      0.586812     -1.933544
  C      -4.168467      1.004055     -3.284624
  C      -3.026414      0.823027     -4.039687
  C      -1.892464      0.229681     -3.442696
  N      -1.845060     -0.178256     -2.179799
  C      -2.965836     -0.002674     -1.436247
  C      -6.371670      0.491558      6.864732
  C      -6.007154     -0.885165      7.460350
  C      -6.898000     -2.020222      6.987391
  O      -6.537847     -2.392311      5.624490
  C      -7.317926     -2.013303      4.611712
  N      -8.437459     -1.340617      4.819112
  C      -9.170557     -1.004164      3.728302
  N      -8.909980     -1.265047      2.463115
  C      -7.759900     -1.974584      2.233300
  C      -7.389471     -2.318594      0.913480
  C      -6.233926     -3.045988      0.716112
  C      -5.463350     -3.427442      1.836507
  N      -5.768487     -3.119324      3.090503
  C      -6.898532     -2.395962      3.286783
  H      -3.668505      4.537241      2.740049
  H      -4.710590      3.104072      2.605505
  H      -5.301975      5.461481      4.493057
  H      -5.917916      5.357465      2.839860
  H      -7.582566      4.588976      4.583839
  H      -6.484474      3.248379      5.009878
  H     -11.246155      2.789969      4.890170
  H     -11.984294      0.931989      0.697084
  H     -10.435729      0.489032     -1.251123
  H      -8.013581      1.105051     -1.038866
  H      -1.801266     -1.751045      4.610556
  H      -3.427176     -1.385918      4.017778
  H      -0.815695     -0.157156      2.940373
  H      -2.447315      0.420798      2.543857
  H      -2.992133     -2.050278      1.899492
  H      -1.218765     -2.290994      1.838669
  H      -6.041356      0.485263      0.738048
  H      -5.073209      1.459074     -3.690678
  H      -2.987167      1.131060     -5.085651
  H      -0.982205      0.083313     -4.032468
  H      -6.764383      0.356488      5.849938
  H      -7.181682      0.948829      7.467937
  H      -4.967364     -1.124554      7.179979
  H      -6.046058     -0.861029      8.561391
  H      -7.964362     -1.763155      7.025975
  H      -6.715319     -2.932787      7.570574
  H     -10.089440     -0.447297      3.938313
  H      -8.024806     -1.992411      0.088774
  H      -5.905481     -3.325019     -0.286073
  H      -4.550247     -4.013580      1.690996
  N      -5.178385      0.648954      3.732634
  H      -6.049761      1.073704      3.405068
  H      -4.814555      0.065724      2.973667
98
Coordinates from ORCA-job orca E -6478.364984522565
  N      -3.687973      3.270825      4.416788
  Mo     -4.035926      1.470614      5.194552
  N      -5.234687      1.400537      6.777322
  C      -4.692555      1.799696      8.071045
  C      -3.566612      2.803614      7.861237
  N      -2.676201      2.339985      6.766870
  C      -1.948063      3.455798      6.115542
  C      -2.889566      4.215454      5.192414
  C      -1.769805      1.240166      7.181884
  C      -1.381372      0.405356      5.966193
  N      -2.578431      0.114291      5.188502
  H      -2.285896      4.856313      4.520609
  H      -3.524237      4.909711      5.781142
  H      -1.141801      3.007734      5.518640
  H      -1.489082      4.120720      6.870121
  H      -0.907687     -0.530612      6.319540
  H      -0.609747      0.931703      5.366143
  H      -2.330889      0.606891      7.882658
  H      -0.883164      1.640196      7.706565
  H      -5.476303      2.264191      8.701363
  H      -4.318867      0.925541      8.642424
  H      -3.992999      3.764318      7.541267
  H      -2.993510      2.973522      8.790762
  C      -4.380369      3.893704      3.293649
  C      -5.591943      4.751626      3.701121
  C      -6.772947      3.949308      4.208349
  O      -7.269439      3.172514      3.080979
  C      -8.544594      2.783926      3.082125
  N      -9.329365      3.000458      4.123717
  C     -10.624830      2.604837      4.007500
  N     -11.214608      2.037966      2.973692
  C     -10.405740      1.800969      1.891141
  C     -10.926553      1.198394      0.723235
  C     -10.074851      0.956674     -0.334248
  C      -8.710811      1.308315     -0.220031
  N      -8.186630      1.886870      0.853314
  C      -9.023133      2.135415      1.888756
  C      -2.435277     -0.942697      4.196913
  C      -1.869570     -0.463561      2.848523
  C      -2.023171     -1.544886      1.789389
  O      -1.928449     -1.025992      0.432447
  C      -3.018564     -0.431390     -0.063017
  N      -4.102312     -0.262973      0.677134
  C      -5.173324      0.333441      0.091046
  N      -5.280161      0.756354     -1.153784
  C      -4.165076      0.588166     -1.933509
  C      -4.168897      1.005620     -3.284524
  C      -3.026895      0.824483     -4.039633
  C      -1.893047      0.230828     -3.442754
  N      -1.845701     -0.177328     -2.179921
  C      -2.966431     -0.001653     -1.436329
  C      -6.371826      0.491913      6.864629
  C      -6.008026     -0.884665      7.460962
  C      -6.899239     -2.019558      6.988284
  O      -6.538789     -2.392388      5.625657
  C      -7.318251     -2.013418      4.612378
  N      -8.437681     -1.340308      4.818978
  C      -9.170060     -1.003888      3.727664
  N      -8.908803     -1.265071      2.462677
  C      -7.758799     -1.975014      2.233696
  C      -7.387635     -2.319346      0.914162
  C      -6.232172     -3.047089      0.717629
  C      -5.462444     -3.428647      1.838574
  N      -5.768278     -3.120263      3.092323
  C      -6.898207     -2.396488      3.287776
  H      -3.668508      4.536970      2.739776
  H      -4.710561      3.103744      2.605373
  H      -5.301919      5.460879      4.493202
  H      -5.917831      5.357275      2.839970
  H      -7.582510      4.588326      4.583727
  H      -6.484302      3.247805      5.009650
  H     -11.245977      2.789353      4.889873
  H     -11.984183      0.932072      0.696527
  H     -10.435673      0.489314     -1.251759
  H      -8.013404      1.104971     -1.039364
  H      -1.801427     -1.751327      4.610089
  H      -3.427491     -1.386123      4.017763
  H      -0.816196     -0.157333      2.939873
  H      -2.447853      0.420763      2.543758
  H      -2.993099     -2.049982      1.899097
  H      -1.219782     -2.291137      1.838076
  H      -6.041772      0.486595      0.738065
  H      -5.073553      1.460890     -3.690496
  H      -2.987607      1.132695     -5.085544
  H      -0.982828      0.084375     -4.032562
  H      -6.764201      0.356572      5.849742
  H      -7.181921      0.949677      7.467346
  H      -4.968269     -1.124675      7.180982
  H      -6.047194     -0.859972      8.561974
  H      -7.965511     -1.762057      7.026463
  H      -6.717090     -2.931936      7.571921
  H     -10.088901     -0.446695      3.937034
  H      -8.022350     -1.993133      0.089001
  H      -5.903137     -3.326294     -0.284316
  H      -4.549402     -4.015043      1.693722
  N      -5.178745      0.648819      3.732794
  H      -6.050091      1.073762      3.405412
  H      -4.815147      0.065435      2.973823
