99
Coordinates from ORCA-job orca E -6532.635637105041
  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
  N      -6.070070      0.619465      2.328162
  H      -7.009210      0.305413      2.573024
  H      -5.790965      0.561462      1.348721
99
Coordinates from ORCA-job orca E -6532.706156898327
  N      -4.675482      3.622191      5.202352
  Mo     -3.992027      1.851226      4.698591
  N      -4.519218      0.915151      6.347219
  C      -3.626670      1.031910      7.488490
  C      -3.040590      2.440642      7.527515
  N      -2.508899      2.792662      6.199652
  C      -2.510355      4.250491      6.010036
  C      -3.953729      4.726877      5.781028
  C      -1.156960      2.236850      5.995785
  C      -1.117669      1.635140      4.578602
  N      -2.325492      0.847058      4.442044
  H      -3.953992      5.594195      5.100701
  H      -4.417311      5.053349      6.726201
  H      -1.919747      4.472406      5.115344
  H      -2.056306      4.759115      6.871212
  H      -0.206202      1.043055      4.440399
  H      -1.121512      2.442869      3.834600
  H      -0.985547      1.432378      6.716954
  H      -0.382364      2.999059      6.130348
  H      -4.159156      0.849404      8.431260
  H      -2.818965      0.286369      7.413848
  H      -3.851405      3.133487      7.768951
  H      -2.262040      2.524471      8.296096
  C      -5.771750      3.915704      4.336908
  C      -7.077168      4.294361      5.062484
  C      -7.639779      3.037525      5.738345
  O      -7.685709      1.994466      4.751227
  C      -8.762957      2.046596      3.913011
  N      -9.946382      2.276285      4.464324
  C     -10.985855      2.376914      3.645150
  N     -10.974772      2.345405      2.336034
  C      -9.772683      2.169792      1.744942
  C      -9.674038      2.217489      0.344728
  C      -8.416965      2.067711     -0.222385
  C      -7.315143      1.908657      0.602275
  N      -7.360008      1.882182      1.949252
  C      -8.591389      1.992434      2.514068
  C      -2.109624     -0.576775      4.595612
  C      -1.539340     -1.256351      3.315028
  C      -2.569510     -2.154673      2.608175
  O      -2.512289     -2.122400      1.171206
  C      -3.005199     -1.069484      0.535003
  N      -3.400689     -0.006259      1.197782
  C      -3.987713      0.984795      0.506598
  N      -4.208911      1.033116     -0.774867
  C      -3.760450     -0.022723     -1.508930
  C      -3.931524     -0.052566     -2.906753
  C      -3.463969     -1.142937     -3.599525
  C      -2.836728     -2.187264     -2.890937
  N      -2.668203     -2.188898     -1.587242
  C      -3.116715     -1.127515     -0.897000
  C      -5.744980      0.236584      6.689431
  C      -5.695508     -1.313835      6.845901
  C      -6.874831     -1.973608      6.147953
  O      -6.603389     -1.920349      4.748441
  C      -7.447365     -1.405235      3.841350
  N      -8.590025     -0.828597      4.172231
  C      -9.413267     -0.521058      3.163349
  N      -9.278617     -0.861627      1.905032
  C      -8.074919     -1.390822      1.551616
  C      -7.820574     -1.767012      0.219557
  C      -6.605656     -2.374555     -0.075667
  C      -5.668852     -2.532202      0.937227
  N      -5.860469     -2.152491      2.198235
  C      -7.065490     -1.621339      2.496957
  H      -5.512275      4.709636      3.603787
  H      -5.952903      2.970336      3.799782
  H      -6.905216      5.077650      5.804192
  H      -7.805626      4.662926      4.331911
  H      -8.637030      3.201449      6.156533
  H      -6.957020      2.687656      6.517370
  H     -11.942155      2.520799      4.122091
  H     -10.565400      2.350187     -0.250638
  H      -8.270934      2.084945     -1.295296
  H      -6.332461      1.798459      0.164202
  H      -1.410921     -0.767013      5.424695
  H      -3.072338     -1.041112      4.842166
  H      -0.653395     -1.844266      3.558601
  H      -1.235127     -0.472095      2.616755
  H      -3.589531     -1.879032      2.907488
  H      -2.396504     -3.209429      2.834242
  H      -4.307965      1.829956      1.094360
  H      -4.418812      0.786009     -3.388482
  H      -3.567624     -1.206656     -4.673592
  H      -2.455580     -3.058995     -3.410374
  H      -6.467074      0.478630      5.906187
  H      -6.139311      0.625332      7.643014
  H      -4.778719     -1.713973      6.401862
  H      -5.713301     -1.588795      7.901371
  H      -7.816023     -1.468066      6.383118
  H      -6.961257     -3.036013      6.404049
  H     -10.345062     -0.027805      3.440549
  H      -8.582672     -1.616835     -0.532037
  H      -6.382952     -2.713484     -1.077900
  H      -4.707354     -3.000763      0.739877
  N      -5.308081      1.183832      3.179272
  N      -6.075919      0.830387      2.258914
  H      -7.044555      0.487799      2.438714
  H      -5.756051      0.834900      1.285679
99
Coordinates from ORCA-job orca E -6532.756412790342
  N      -4.684624      3.606679      5.206871
  Mo     -3.977808      1.842311      4.701669
  N      -4.513097      0.885092      6.342801
  C      -3.624751      1.014187      7.492573
  C      -3.065210      2.429785      7.550060
  N      -2.525546      2.798649      6.226950
  C      -2.541235      4.260453      6.043859
  C      -3.982597      4.717821      5.801161
  C      -1.159559      2.261388      6.031046
  C      -1.096741      1.674882      4.609431
  N      -2.292119      0.865594      4.451935
  H      -3.985974      5.589192      5.125039
  H      -4.462097      5.034239      6.743741
  H      -1.941901      4.493504      5.155701
  H      -2.100351      4.769811      6.913753
  H      -0.173316      1.096667      4.473877
  H      -1.103813      2.491762      3.872733
  H      -0.983510      1.453503      6.749897
  H      -0.397120      3.036128      6.180688
  H      -4.162276      0.816318      8.430991
  H      -2.801784      0.282182      7.420482
  H      -3.889204      3.110031      7.790319
  H      -2.293024      2.520895      8.327297
  C      -5.780823      3.906198      4.327361
  C      -7.101196      4.272447      5.038191
  C      -7.684555      3.015365      5.689884
  O      -7.722405      1.994792      4.671864
  C      -8.788478      2.067244      3.821230
  N      -9.988089      2.259446      4.354248
  C     -11.017610      2.362862      3.509667
  N     -10.977982      2.370811      2.192164
  C      -9.756806      2.234138      1.621197
  C      -9.625637      2.323211      0.219163
  C      -8.353969      2.209301     -0.327302
  C      -7.263708      2.038175      0.511357
  N      -7.333080      1.965823      1.871043
  C      -8.587746      2.051208      2.419700
  C      -2.055497     -0.559795      4.595649
  C      -1.454520     -1.223346      3.316085
  C      -2.461187     -2.135388      2.593641
  O      -2.398675     -2.122444      1.147115
  C      -2.896480     -1.081716      0.489091
  N      -3.276736     -0.002128      1.135493
  C      -3.870569      0.977770      0.427475
  N      -4.120626      1.000496     -0.856174
  C      -3.688849     -0.078335     -1.569530
  C      -3.895554     -0.138819     -2.962156
  C      -3.446990     -1.247484     -3.643965
  C      -2.802872     -2.280978     -2.927122
  N      -2.601769     -2.256758     -1.621072
  C      -3.032854     -1.173965     -0.943437
  C      -5.724775      0.175840      6.709461
  C      -5.629164     -1.374648      6.873792
  C      -6.810354     -2.075096      6.220712
  O      -6.594819     -2.002144      4.813698
  C      -7.510026     -1.506176      3.983477
  N      -8.659370     -1.007145      4.407599
  C      -9.563636     -0.684562      3.459925
  N      -9.478494     -0.934763      2.171330
  C      -8.265779     -1.380242      1.727279
  C      -8.061225     -1.654455      0.357468
  C      -6.837632     -2.177447     -0.039005
  C      -5.834346     -2.358609      0.917319
  N      -5.978325     -2.075533      2.209499
  C      -7.192502     -1.627278      2.604409
  H      -5.515499      4.706653      3.606049
  H      -5.958197      2.970301      3.775172
  H      -6.935512      5.050380      5.791461
  H      -7.820959      4.649990      4.300495
  H      -8.688282      3.177156      6.096280
  H      -7.017438      2.645981      6.475082
  H     -11.990366      2.462266      3.970371
  H     -10.509607      2.460947     -0.392365
  H      -8.181150      2.260744     -1.400345
  H      -6.272086      1.955725      0.077049
  H      -1.364503     -0.744485      5.434378
  H      -3.014203     -1.041804      4.829027
  H      -0.560996     -1.798967      3.574634
  H      -1.149701     -0.432121      2.623248
  H      -3.487786     -1.871497      2.882867
  H      -2.276998     -3.188452      2.826152
  H      -4.180324      1.840672      1.008247
  H      -4.397740      0.695059     -3.447785
  H      -3.578532     -1.334997     -4.717467
  H      -2.436987     -3.166977     -3.442267
  H      -6.473309      0.395525      5.941824
  H      -6.105128      0.563886      7.670620
  H      -4.710588     -1.745931      6.403491
  H      -5.607735     -1.649622      7.932923
  H      -7.759688     -1.597843      6.490532
  H      -6.855813     -3.140907      6.478998
  H     -10.503106     -0.247379      3.817273
  H      -8.870682     -1.490386     -0.345833
  H      -6.652221     -2.435218     -1.076708
  H      -4.859007     -2.761967      0.638957
  N      -5.248925      1.173254      3.178502
  N      -5.992214      0.838013      2.235092
  H      -6.964503      0.455882      2.374896
  H      -5.635037      0.855527      1.264264
99
Coordinates from ORCA-job orca E -6532.793451610065
  N      -4.674728      3.615524      5.217901
  Mo     -3.973693      1.843273      4.719611
  N      -4.513329      0.884105      6.353620
  C      -3.621161      1.019299      7.509430
  C      -3.064332      2.436145      7.569610
  N      -2.521172      2.806000      6.241154
  C      -2.531899      4.271033      6.052930
  C      -3.968376      4.727828      5.809590
  C      -1.150046      2.268137      6.039577
  C      -1.088109      1.688408      4.615576
  N      -2.283382      0.874080      4.460157
  H      -3.971899      5.597909      5.131002
  H      -4.447695      5.048203      6.752759
  H      -1.929992      4.498313      5.163033
  H      -2.086300      4.781320      6.921942
  H      -0.162320      1.111124      4.474821
  H      -1.096216      2.508983      3.880247
  H      -0.971871      1.459451      6.759280
  H      -0.388794      3.046546      6.191372
  H      -4.160196      0.819462      8.447912
  H      -2.794618      0.288373      7.440224
  H      -3.888825      3.118834      7.808507
  H      -2.291763      2.529235      8.349079
  C      -5.780205      3.930352      4.338588
  C      -7.096977      4.304203      5.054836
  C      -7.697213      3.056060      5.703316
  O      -7.758562      2.038727      4.675307
  C      -8.831331      2.110895      3.838153
  N     -10.031824      2.273580      4.377382
  C     -11.074730      2.351020      3.533915
  N     -11.042830      2.358319      2.210749
  C      -9.816171      2.251483      1.633781
  C      -9.687066      2.339025      0.227418
  C      -8.413914      2.253153     -0.322363
  C      -7.311834      2.107270      0.512447
  N      -7.376579      2.034388      1.874391
  C      -8.636681      2.097163      2.431443
  C      -2.053907     -0.556859      4.604765
  C      -1.452456     -1.230370      3.330413
  C      -2.463041     -2.141657      2.613312
  O      -2.398422     -2.150901      1.160113
  C      -2.889270     -1.107977      0.499764
  N      -3.244716     -0.020381      1.150566
  C      -3.839976      0.965526      0.445494
  N      -4.120161      0.988346     -0.838404
  C      -3.713710     -0.105516     -1.550158
  C      -3.956750     -0.172799     -2.938115
  C      -3.537408     -1.292015     -3.625413
  C      -2.886055     -2.330985     -2.918230
  N      -2.651239     -2.304617     -1.612592
  C      -3.054545     -1.208680     -0.931580
  C      -5.737166      0.172633      6.695115
  C      -5.635593     -1.375973      6.866484
  C      -6.801342     -2.088169      6.193033
  O      -6.560265     -2.036482      4.779248
  C      -7.458841     -1.543366      3.932623
  N      -8.604916     -1.020003      4.336694
  C      -9.497566     -0.676577      3.371355
  N      -9.399033     -0.913910      2.076926
  C      -8.187622     -1.388725      1.648977
  C      -7.968477     -1.655738      0.276154
  C      -6.757129     -2.204413     -0.106942
  C      -5.765008     -2.425774      0.866268
  N      -5.917024     -2.152565      2.158939
  C      -7.126790     -1.674399      2.545022
  H      -5.509179      4.727572      3.619162
  H      -5.977001      3.004419      3.780055
  H      -6.917596      5.079596      5.812001
  H      -7.815829      4.694735      4.320129
  H      -8.697437      3.225370      6.118305
  H      -7.030392      2.671221      6.482974
  H     -12.051601      2.416824      4.004709
  H     -10.578899      2.455423     -0.383022
  H      -8.241866      2.305486     -1.398976
  H      -6.318133      2.045354      0.068411
  H      -1.365477     -0.740416      5.447574
  H      -3.015788     -1.034078      4.840384
  H      -0.561056     -1.809463      3.599811
  H      -1.137490     -0.445629      2.632328
  H      -3.489584     -1.866651      2.896663
  H      -2.287986     -3.194923      2.857550
  H      -4.132697      1.836625      1.035783
  H      -4.465596      0.666991     -3.414445
  H      -3.697833     -1.385204     -4.698065
  H      -2.544323     -3.225092     -3.443114
  H      -6.473582      0.390242      5.911457
  H      -6.137556      0.566232      7.646852
  H      -4.702480     -1.745560      6.419156
  H      -5.634809     -1.644559      7.930926
  H      -7.759015     -1.610654      6.438633
  H      -6.848705     -3.152336      6.462279
  H     -10.430903     -0.212539      3.717973
  H      -8.765948     -1.461196     -0.438360
  H      -6.563347     -2.456396     -1.148145
  H      -4.797558     -2.852997      0.590398
  N      -5.222723      1.166974      3.237651
  N      -5.959396      0.835732      2.300985
  H      -6.921061      0.437714      2.433763
  H      -5.590283      0.842665      1.325503
99
Coordinates from ORCA-job orca E -6532.824611718677
  N      -4.673496      3.610513      5.217209
  Mo     -3.970785      1.831935      4.729527
  N      -4.515804      0.869653      6.354543
  C      -3.623857      1.012461      7.514465
  C      -3.073878      2.430899      7.581234
  N      -2.524943      2.804274      6.252672
  C      -2.534162      4.271155      6.060388
  C      -3.967193      4.724393      5.810139
  C      -1.147514      2.271373      6.049732
  C      -1.080371      1.701115      4.622123
  N      -2.269115      0.877657      4.461886
  H      -3.970273      5.593325      5.129856
  H      -4.450966      5.046843      6.751370
  H      -1.926903      4.493876      5.171990
  H      -2.088600      4.782417      6.929696
  H      -0.150397      1.129525      4.477316
  H      -1.090630      2.526773      3.890943
  H      -0.966388      1.462163      6.769134
  H      -0.392058      3.055702      6.207843
  H      -4.166853      0.807765      8.450490
  H      -2.793468      0.285057      7.448744
  H      -3.900631      3.113134      7.816730
  H      -2.304119      2.526873      8.364238
  C      -5.783594      3.944078      4.337003
  C      -7.099312      4.323581      5.051069
  C      -7.718364      3.080759      5.684955
  O      -7.791416      2.073876      4.641766
  C      -8.860749      2.149422      3.808198
  N     -10.066199      2.277598      4.339234
  C     -11.109294      2.330567      3.484885
  N     -11.071969      2.345420      2.161661
  C      -9.835577      2.273731      1.594654
  C      -9.692718      2.362926      0.189337
  C      -8.414499      2.301707     -0.345639
  C      -7.314087      2.175347      0.504238
  N      -7.393249      2.102140      1.854746
  C      -8.656834      2.144543      2.399423
  C      -2.039300     -0.555152      4.603337
  C      -1.432047     -1.224271      3.330380
  C      -2.437066     -2.137962      2.610497
  O      -2.362862     -2.157824      1.152623
  C      -2.852619     -1.115966      0.488025
  N      -3.197929     -0.020372      1.134977
  C      -3.794675      0.963214      0.424249
  N      -4.092027      0.978726     -0.858909
  C      -3.696750     -0.128246     -1.560984
  C      -3.961963     -0.210894     -2.945039
  C      -3.556390     -1.339384     -3.626483
  C      -2.897217     -2.373028     -2.917991
  N      -2.642382     -2.335948     -1.614555
  C      -3.032704     -1.229393     -0.940862
  C      -5.741829      0.153006      6.686188
  C      -5.617229     -1.391343      6.871657
  C      -6.771265     -2.130750      6.209643
  O      -6.539231     -2.090049      4.788174
  C      -7.459535     -1.609207      3.961463
  N      -8.604304     -1.105320      4.390879
  C      -9.516814     -0.744957      3.445930
  N      -9.429799     -0.931032      2.141897
  C      -8.219048     -1.385641      1.687207
  C      -8.012592     -1.598610      0.301288
  C      -6.806383     -2.123662     -0.115730
  C      -5.798618     -2.381392      0.839623
  N      -5.937443     -2.161410      2.142174
  C      -7.145537     -1.704167      2.560931
  H      -5.503205      4.740451      3.622775
  H      -5.997524      3.031675      3.768934
  H      -6.914237      5.092514      5.815872
  H      -7.810758      4.729162      4.315767
  H      -8.718429      3.254563      6.100298
  H      -7.059220      2.675446      6.461804
  H     -12.091340      2.352565      3.951894
  H     -10.582847      2.460031     -0.429936
  H      -8.229610      2.355401     -1.421455
  H      -6.311819      2.129498      0.070423
  H      -1.354715     -0.737815      5.450393
  H      -3.000616     -1.034612      4.837970
  H      -0.540160     -1.801769      3.607418
  H      -1.112431     -0.438807      2.634398
  H      -3.466697     -1.865663      2.884938
  H      -2.262614     -3.190632      2.860295
  H      -4.079983      1.841095      1.013885
  H      -4.478496      0.626109     -3.421123
  H      -3.733974     -1.445204     -4.696789
  H      -2.567624     -3.273607     -3.442419
  H      -6.477635      0.361586      5.898162
  H      -6.149837      0.553576      7.632365
  H      -4.675472     -1.749267      6.430768
  H      -5.613207     -1.650220      7.940052
  H      -7.736287     -1.665658      6.452004
  H      -6.800888     -3.192999      6.489546
  H     -10.446598     -0.291706      3.819375
  H      -8.820499     -1.376969     -0.395825
  H      -6.621337     -2.331860     -1.169720
  H      -4.832470     -2.789718      0.530913
  N      -5.183606      1.156294      3.288883
  N      -5.910674      0.828515      2.344885
  H      -6.863545      0.422524      2.456680
  H      -5.524007      0.828312      1.373997
99
Coordinates from ORCA-job orca E -6532.852238822635
  N      -4.674547      3.609136      5.219877
  Mo     -3.969918      1.823233      4.743899
  N      -4.521785      0.856462      6.357056
  C      -3.630455      1.004222      7.519792
  C      -3.082558      2.423483      7.593670
  N      -2.526571      2.801614      6.267115
  C      -2.533827      4.269973      6.071761
  C      -3.964576      4.722254      5.814661
  C      -1.144016      2.273428      6.062519
  C      -1.073664      1.714498      4.630489
  N      -2.255293      0.882864      4.464189
  H      -3.966103      5.590527      5.133463
  H      -4.451519      5.046788      6.754265
  H      -1.921414      4.488072      5.185109
  H      -2.087974      4.781357      6.941265
  H      -0.140202      1.148980      4.479703
  H      -1.086037      2.546529      3.905484
  H      -0.959882      1.462600      6.779883
  H      -0.394345      3.062839      6.228095
  H      -4.177949      0.794993      8.452713
  H      -2.798357      0.278630      7.456544
  H      -3.910249      3.106288      7.826050
  H      -2.315875      2.519888      8.380163
  C      -5.788707      3.966452      4.343623
  C      -7.101131      4.352469      5.059058
  C      -7.736309      3.112197      5.678259
  O      -7.823398      2.113370      4.623426
  C      -8.891524      2.189090      3.795675
  N     -10.098795      2.290315      4.322130
  C     -11.144128      2.318669      3.461774
  N     -11.106319      2.332501      2.139751
  C      -9.864040      2.288096      1.577829
  C      -9.714652      2.371866      0.172658
  C      -8.435588      2.331718     -0.354111
  C      -7.334125      2.229249      0.507515
  N      -7.419855      2.161812      1.847105
  C      -8.683268      2.186131      2.383211
  C      -2.024420     -0.551277      4.598283
  C      -1.414074     -1.217899      3.326271
  C      -2.418723     -2.132570      2.608849
  O      -2.343053     -2.163294      1.147426
  C      -2.834204     -1.123705      0.479369
  N      -3.169240     -0.020144      1.120923
  C      -3.770352      0.958586      0.405308
  N      -4.087102      0.963823     -0.874621
  C      -3.703898     -0.155038     -1.567351
  C      -3.993519     -0.255147     -2.946140
  C      -3.601703     -1.392983     -3.620343
  C      -2.932431     -2.419164     -2.910517
  N      -2.655739     -2.368407     -1.611357
  C      -3.032829     -1.251564     -0.945895
  C      -5.750874      0.136540      6.673737
  C      -5.611168     -1.403780      6.867948
  C      -6.753219     -2.160066      6.206154
  O      -6.517916     -2.130278      4.779630
  C      -7.443358     -1.652044      3.957276
  N      -8.584532     -1.146498      4.392436
  C      -9.496957     -0.765818      3.453599
  N      -9.408452     -0.917616      2.145415
  C      -8.201355     -1.376765      1.684192
  C      -7.993051     -1.556591      0.292659
  C      -6.793417     -2.082667     -0.135195
  C      -5.788986     -2.379686      0.817165
  N      -5.929121     -2.193008      2.123021
  C      -7.132607     -1.731776      2.551711
  H      -5.498830      4.763510      3.635186
  H      -6.021381      3.070300      3.765590
  H      -6.910761      5.112884      5.832656
  H      -7.805707      4.774822      4.325566
  H      -8.735087      3.290025      6.096359
  H      -7.082978      2.686935      6.450050
  H     -12.128121      2.309530      3.929195
  H     -10.605111      2.448251     -0.451095
  H      -8.244454      2.382250     -1.429826
  H      -6.327185      2.198499      0.078879
  H      -1.342890     -0.733239      5.448680
  H      -2.984679     -1.033243      4.832254
  H      -0.521986     -1.795341      3.606975
  H      -1.090963     -0.432510      2.631641
  H      -3.449549     -1.860736      2.878808
  H      -2.245700     -3.184649      2.863889
  H      -4.048117      1.843228      0.991767
  H      -4.518873      0.577063     -3.422549
  H      -3.798078     -1.513026     -4.686760
  H      -2.614695     -3.326479     -3.432509
  H      -6.481147      0.340130      5.878841
  H      -6.170016      0.542442      7.613251
  H      -4.660525     -1.753055      6.438110
  H      -5.612049     -1.656778      7.938758
  H      -7.724147     -1.702257      6.438689
  H      -6.774401     -3.220484      6.493673
  H     -10.421088     -0.308784      3.836527
  H      -8.798104     -1.304974     -0.399159
  H      -6.606067     -2.264200     -1.194646
  H      -4.826863     -2.788991      0.495547
  N      -5.142352      1.154329      3.359052
  N      -5.868495      0.822601      2.403085
  H      -6.813108      0.414482      2.503832
  H      -5.469425      0.810061      1.439888
99
Coordinates from ORCA-job orca E -6532.876530701157
  N      -4.678173      3.606676      5.214252
  Mo     -3.972243      1.810474      4.755323
  N      -4.532638      0.841688      6.358352
  C      -3.641045      0.995092      7.521437
  C      -3.091478      2.414325      7.599729
  N      -2.527360      2.794580      6.276537
  C      -2.531862      4.263653      6.075755
  C      -3.960713      4.717383      5.810004
  C      -1.141264      2.269263      6.072920
  C      -1.069423      1.719879      4.638089
  N      -2.244205      0.880331      4.463702
  H      -3.958298      5.584057      5.126806
  H      -4.450208      5.046264      6.747180
  H      -1.914030      4.475092      5.190924
  H      -2.086026      4.776348      6.944577
  H      -0.133476      1.159876      4.481094
  H      -1.082752      2.558053      3.919859
  H      -0.955142      1.457493      6.788848
  H      -0.396779      3.062721      6.245412
  H      -4.192929      0.784186      8.451545
  H      -2.808997      0.269668      7.461080
  H      -3.918892      3.099109      7.828064
  H      -2.327896      2.510466      8.389301
  C      -5.793833      3.990765      4.344702
  C      -7.101253      4.386128      5.062596
  C      -7.751598      3.147901      5.668263
  O      -7.852164      2.155650      4.605284
  C      -8.919822      2.229458      3.782831
  N     -10.128220      2.308069      4.305124
  C     -11.174289      2.310661      3.439965
  N     -11.135839      2.318649      2.119853
  C      -9.889390      2.297319      1.562508
  C      -9.734671      2.369825      0.157241
  C      -8.455640      2.345817     -0.363010
  C      -7.354334      2.268466      0.510134
  N      -7.445921      2.212194      1.840075
  C      -8.707914      2.223249      2.367093
  C      -2.008596     -0.553999      4.586121
  C      -1.394107     -1.214707      3.313415
  C      -2.395868     -2.131112      2.595839
  O      -2.316694     -2.165455      1.132402
  C      -2.811741     -1.127620      0.464486
  N      -3.143681     -0.020561      1.103575
  C      -3.750438      0.953656      0.385942
  N      -4.081159      0.952001     -0.890252
  C      -3.703212     -0.172587     -1.578308
  C      -4.011098     -0.284915     -2.952707
  C      -3.625450     -1.427021     -3.622839
  C      -2.944645     -2.445789     -2.913792
  N      -2.652060     -2.385404     -1.618871
  C      -3.023183     -1.263688     -0.958040
  C      -5.763562      0.120954      6.665089
  C      -5.612059     -1.415146      6.870973
  C      -6.745964     -2.186803      6.215231
  O      -6.511852     -2.168167      4.784786
  C      -7.442664     -1.693029      3.965537
  N      -8.582303     -1.188506      4.404741
  C      -9.491798     -0.790321      3.470969
  N      -9.396934     -0.908099      2.160224
  C      -8.191719     -1.368296      1.695099
  C      -7.976821     -1.514038      0.300041
  C      -6.779990     -2.037883     -0.134964
  C      -5.783391     -2.371176      0.816093
  N      -5.930351     -2.218675      2.124166
  C      -7.131364     -1.756732      2.558258
  H      -5.493467      4.788360      3.641468
  H      -6.046453      3.110794      3.757298
  H      -6.906389      5.137317      5.844834
  H      -7.798204      4.825552      4.331455
  H      -8.748642      3.330502      6.089263
  H      -7.103812      2.703862      6.434534
  H     -12.158423      2.274395      3.907791
  H     -10.624973      2.424550     -0.470136
  H      -8.260065      2.388174     -1.438407
  H      -6.343827      2.248477      0.086554
  H      -1.329498     -0.735284      5.439069
  H      -2.966429     -1.041177      4.818478
  H      -0.500765     -1.790945      3.594791
  H      -1.070104     -0.426619      2.622406
  H      -3.428793     -1.863730      2.861322
  H      -2.221542     -3.182743      2.852645
  H      -4.027529      1.840457      0.970439
  H      -4.546420      0.541687     -3.428004
  H      -3.835610     -1.557119     -4.685729
  H      -2.632483     -3.355960     -3.434832
  H      -6.489576      0.319278      5.865002
  H      -6.190198      0.534374      7.598091
  H      -4.655517     -1.758476      6.449190
  H      -5.614254     -1.660212      7.944055
  H      -7.721044     -1.734939      6.441096
  H      -6.759210     -3.244880      6.511180
  H     -10.412806     -0.333418      3.860706
  H      -8.776542     -1.234856     -0.388001
  H      -6.585849     -2.191883     -1.197892
  H      -4.823072     -2.778217      0.485910
  N      -5.100630      1.155092      3.433931
  N      -5.831235      0.816226      2.462240
  H      -6.769765      0.410075      2.557016
  H      -5.421637      0.789927      1.511394
99
Coordinates from ORCA-job orca E -6532.894936033863
  N      -4.679546      3.607322      5.205463
  Mo     -3.972887      1.797568      4.770303
  N      -4.545702      0.827202      6.363500
  C      -3.655476      0.985130      7.526948
  C      -3.100306      2.403494      7.608892
  N      -2.524059      2.784526      6.291377
  C      -2.524879      4.253691      6.084293
  C      -3.951239      4.712208      5.805308
  C      -1.136372      2.258632      6.093065
  C      -1.062681      1.719880      4.656361
  N      -2.232455      0.874629      4.468232
  H      -3.939835      5.577504      5.120497
  H      -4.444997      5.046832      6.738333
  H      -1.899491      4.457242      5.202908
  H      -2.080987      4.768017      6.953075
  H      -0.125674      1.163672      4.493239
  H      -1.073191      2.564992      3.946736
  H      -0.952163      1.445015      6.807321
  H      -0.395458      3.053592      6.274724
  H      -4.213350      0.774828      8.453600
  H      -2.825332      0.257762      7.470994
  H      -3.926079      3.092290      7.831147
  H      -2.341526      2.497191      8.403184
  C      -5.792239      4.022162      4.343730
  C      -7.093838      4.427379      5.064821
  C      -7.761366      3.190123      5.655450
  O      -7.877014      2.202577      4.587541
  C      -8.947124      2.271981      3.770946
  N     -10.155498      2.331785      4.292390
  C     -11.202837      2.305578      3.426017
  N     -11.165844      2.301019      2.107452
  C      -9.917916      2.298905      1.551106
  C      -9.761451      2.351819      0.144767
  C      -8.483565      2.340003     -0.374001
  C      -7.381008      2.292704      0.506475
  N      -7.476054      2.255082      1.830435
  C      -8.735396      2.256121      2.352003
  C      -1.991128     -0.559470      4.571077
  C      -1.374692     -1.209574      3.294355
  C      -2.376597     -2.123877      2.575250
  O      -2.297090     -2.155884      1.110702
  C      -2.798610     -1.120853      0.443161
  N      -3.133124     -0.011240      1.078119
  C      -3.746332      0.956591      0.356867
  N      -4.086559      0.945481     -0.915757
  C      -3.709103     -0.182909     -1.598623
  C      -4.030464     -0.309081     -2.969126
  C      -3.645323     -1.454409     -3.633310
  C      -2.951931     -2.463153     -2.922600
  N      -2.648086     -2.390912     -1.631754
  C      -3.018778     -1.265642     -0.976917
  C      -5.779042      0.108188      6.659014
  C      -5.620097     -1.423522      6.878304
  C      -6.746920     -2.209166      6.228355
  O      -6.512953     -2.205314      4.795473
  C      -7.445243     -1.732767      3.974079
  N      -8.583449     -1.224771      4.412217
  C      -9.484166     -0.809189      3.479210
  N      -9.377184     -0.896721      2.167466
  C      -8.174359     -1.363768      1.703842
  C      -7.946354     -1.478543      0.307993
  C      -6.750528     -2.004139     -0.127282
  C      -5.769307     -2.375037      0.826502
  N      -5.929925     -2.254708      2.135450
  C      -7.128667     -1.786808      2.567870
  H      -5.479128      4.821056      3.647121
  H      -6.065723      3.158167      3.744036
  H      -6.895616      5.167020      5.857193
  H      -7.781280      4.886042      4.336632
  H      -8.756105      3.379511      6.079402
  H      -7.119863      2.726834      6.415723
  H     -12.185314      2.247768      3.896609
  H     -10.652596      2.381710     -0.483488
  H      -8.288235      2.367470     -1.449470
  H      -6.368639      2.280099      0.085638
  H      -1.314469     -0.743596      5.425539
  H      -2.946441     -1.053011      4.799710
  H      -0.480474     -1.786897      3.571085
  H      -1.050759     -0.416012      2.609935
  H      -3.410890     -1.861061      2.839486
  H      -2.201162     -3.175915      2.829731
  H      -4.027576      1.844670      0.937002
  H      -4.576475      0.509218     -3.445811
  H      -3.865486     -1.595575     -4.692606
  H      -2.640468     -3.375383     -3.440273
  H      -6.498225      0.301732      5.851864
  H      -6.214228      0.530962      7.583825
  H      -4.658274     -1.763469      6.466142
  H      -5.625306     -1.659175      7.953501
  H      -7.725770     -1.761770      6.445492
  H      -6.753794     -3.264018      6.534927
  H     -10.402989     -0.350956      3.870431
  H      -8.735441     -1.170596     -0.379938
  H      -6.544132     -2.132386     -1.191211
  H      -4.809704     -2.782437      0.494183
  N      -5.062007      1.157901      3.505545
  N      -5.798395      0.810306      2.519737
  H      -6.732415      0.410109      2.616337
  H      -5.379961      0.768775      1.583219
99
Coordinates from ORCA-job orca E -6532.907983874866
  N      -4.668376      3.612788      5.187919
  Mo     -3.965610      1.785573      4.789297
  N      -4.557796      0.817812      6.373772
  C      -3.672808      0.978082      7.539798
  C      -3.105815      2.393345      7.623128
  N      -2.510629      2.770646      6.313387
  C      -2.504953      4.238590      6.097630
  C      -3.926283      4.706920      5.797560
  C      -1.124944      2.236967      6.126486
  C      -1.047359      1.710489      4.688185
  N      -2.216212      0.866531      4.480184
  H      -3.897069      5.570981      5.111809
  H      -4.428178      5.049978      6.723024
  H      -1.867987      4.431555      5.222411
  H      -2.065940      4.755406      6.967278
  H      -0.111729      1.153642      4.520721
  H      -1.047780      2.563036      3.988113
  H      -0.950833      1.419746      6.838983
  H      -0.383545      3.028339      6.320902
  H      -4.239792      0.773480      8.462169
  H      -2.847999      0.244579      7.492321
  H      -3.927144      3.090655      7.834709
  H      -2.355122      2.481652      8.425470
  C      -5.772243      4.061099      4.331770
  C      -7.067449      4.476681      5.055759
  C      -7.755084      3.240651      5.629829
  O      -7.887646      2.255478      4.560501
  C      -8.965921      2.318129      3.754479
  N     -10.170392      2.363633      4.284810
  C     -11.224259      2.303565      3.427039
  N     -11.197983      2.277208      2.109485
  C      -9.954227      2.289450      1.543688
  C      -9.806906      2.309575      0.135212
  C      -8.533723      2.302459     -0.393375
  C      -7.423472      2.291137      0.482871
  N      -7.512726      2.284660      1.804883
  C      -8.765844      2.282881      2.332061
  C      -1.974054     -0.568026      4.557054
  C      -1.360860     -1.204517      3.273102
  C      -2.367925     -2.110104      2.550813
  O      -2.287248     -2.133243      1.086875
  C      -2.795303     -1.099416      0.423300
  N      -3.138101      0.008031      1.058523
  C      -3.755974      0.972548      0.336130
  N      -4.097722      0.957237     -0.935020
  C      -3.715469     -0.169827     -1.617605
  C      -4.041740     -0.303593     -2.986601
  C      -3.651145     -1.448006     -3.648377
  C      -2.947407     -2.449008     -2.937299
  N      -2.640238     -2.370304     -1.648675
  C      -3.016519     -1.245833     -0.995981
  C      -5.796923      0.105999      6.654185
  C      -5.637169     -1.420975      6.891059
  C      -6.757734     -2.221626      6.248756
  O      -6.525531     -2.241465      4.814132
  C      -7.458589     -1.778193      3.985077
  N      -8.597942     -1.267494      4.416763
  C      -9.488033     -0.842221      3.479795
  N      -9.364186     -0.905353      2.168456
  C      -8.162459     -1.379935      1.711230
  C      -7.915113     -1.466876      0.317199
  C      -6.715602     -1.990274     -0.111849
  C      -5.754099     -2.393588      0.848009
  N      -5.935122     -2.304426      2.156651
  C      -7.134092     -1.831714      2.581381
  H      -5.442412      4.860961      3.643613
  H      -6.065850      3.212497      3.716382
  H      -6.867222      5.202631      5.859698
  H      -7.742946      4.956636      4.330537
  H      -8.746733      3.440049      6.056705
  H      -7.121033      2.758040      6.384302
  H     -12.200847      2.229281      3.908179
  H     -10.703065      2.310209     -0.486429
  H      -8.349292      2.304033     -1.470192
  H      -6.413249      2.278680      0.057319
  H      -1.300127     -0.761759      5.411537
  H      -2.928601     -1.065449      4.780779
  H      -0.468098     -1.787818      3.540527
  H      -1.035285     -0.403957      2.597807
  H      -3.402290     -1.848211      2.815439
  H      -2.195627     -3.163995      2.799276
  H      -4.046086      1.857947      0.914830
  H      -4.596695      0.506936     -3.464530
  H      -3.874909     -1.595020     -4.705701
  H      -2.631431     -3.360027     -3.453635
  H      -6.504142      0.294884      5.835736
  H      -6.243867      0.541882      7.567184
  H      -4.670617     -1.761659      6.491220
  H      -5.647499     -1.643465      7.968771
  H      -7.740592     -1.778512      6.454925
  H      -6.757363     -3.271367      6.571568
  H     -10.408440     -0.385883      3.867060
  H      -8.690423     -1.133944     -0.374121
  H      -6.491311     -2.093144     -1.174521
  H      -4.791481     -2.796977      0.519343
  N      -5.039149      1.152613      3.551467
  N      -5.779453      0.794841      2.558441
  H      -6.713618      0.410401      2.667649
  H      -5.354357      0.729821      1.633306
99
Coordinates from ORCA-job orca E -6532.918417833376
  N      -4.652937      3.619173      5.168717
  Mo     -3.953683      1.776881      4.812513
  N      -4.566470      0.811318      6.387687
  C      -3.690447      0.972617      7.558971
  C      -3.112525      2.384282      7.643415
  N      -2.495813      2.757320      6.342364
  C      -2.485574      4.223388      6.118364
  C      -3.899861      4.700702      5.793887
  C      -1.113124      2.215105      6.168769
  C      -1.027562      1.703833      4.727636
  N      -2.196861      0.865181      4.497621
  H      -3.849365      5.564670      5.109290
  H      -4.413186      5.051006      6.710190
  H      -1.835393      4.407409      5.251169
  H      -2.054856      4.743593      6.990112
  H      -0.093595      1.145085      4.557167
  H      -1.015216      2.564388      4.037769
  H      -0.952940      1.392401      6.878119
  H      -0.370155      3.000888      6.379192
  H      -4.267675      0.774797      8.476649
  H      -2.870940      0.232785      7.521922
  H      -3.929442      3.090470      7.842213
  H      -2.372269      2.466831      8.456032
  C      -5.745488      4.098295      4.315845
  C      -7.035835      4.518589      5.043585
  C      -7.740995      3.283018      5.600285
  O      -7.887817      2.303034      4.527925
  C      -8.976967      2.359386      3.735319
  N     -10.175794      2.393743      4.279213
  C     -11.238470      2.304802      3.434363
  N     -11.226469      2.257618      2.117336
  C      -9.989521      2.280822      1.537544
  C      -9.855761      2.268920      0.127286
  C      -8.588666      2.263733     -0.415793
  C      -7.468128      2.285516      0.449110
  N      -7.547345      2.310037      1.771291
  C      -8.793363      2.307023      2.310243
  C      -1.956813     -0.570355      4.547322
  C      -1.350994     -1.192968      3.254386
  C      -2.366665     -2.088176      2.531434
  O      -2.287014     -2.105522      1.068716
  C      -2.801978     -1.074196      0.407426
  N      -3.151666      0.031691      1.042096
  C      -3.773293      0.993441      0.317813
  N      -4.115609      0.972828     -0.952649
  C      -3.730209     -0.153752     -1.634097
  C      -4.060525     -0.295504     -3.001581
  C      -3.665792     -1.440162     -3.660036
  C      -2.953488     -2.434225     -2.947618
  N      -2.643507     -2.348402     -1.660751
  C      -3.024342     -1.223654     -1.011063
  C      -5.811702      0.105733      6.649241
  C      -5.652830     -1.416775      6.901262
  C      -6.765849     -2.230097      6.262640
  O      -6.532288     -2.272938      4.827812
  C      -7.463577     -1.817916      3.990167
  N      -8.602451     -1.300662      4.415149
  C      -9.482616     -0.867632      3.473390
  N      -9.344880     -0.914998      2.162813
  C      -8.146543     -1.402838      1.711561
  C      -7.882143     -1.469965      0.320228
  C      -6.679557     -1.993769     -0.101657
  C      -5.736608     -2.424763      0.863429
  N      -5.936186     -2.360420      2.171288
  C      -7.133957     -1.878892      2.588339
  H      -5.399645      4.900387      3.638249
  H      -6.053987      3.264440      3.682780
  H      -6.836093      5.229855      5.860258
  H      -7.700538      5.018832      4.322264
  H      -8.729497      3.491355      6.030461
  H      -7.113621      2.782790      6.348990
  H     -12.208196      2.220427      3.928339
  H     -10.758417      2.243216     -0.484291
  H      -8.419608      2.239898     -1.494283
  H      -6.461871      2.271627      0.015153
  H      -1.284677     -0.776812      5.400245
  H      -2.911312     -1.070229      4.767424
  H      -0.460433     -1.784147      3.510439
  H      -1.023551     -0.386222      2.587196
  H      -3.399577     -1.823513      2.798662
  H      -2.199795     -3.143943      2.775599
  H      -4.070447      1.877130      0.894535
  H      -4.622697      0.507745     -3.482331
  H      -3.892891     -1.593114     -4.715589
  H      -2.633730     -3.345021     -3.461675
  H      -6.503284      0.289792      5.816793
  H      -6.274392      0.553232      7.548864
  H      -4.681040     -1.758520      6.515156
  H      -5.670996     -1.628289      7.980992
  H      -7.753153     -1.791590      6.456673
  H      -6.758771     -3.274842      6.600802
  H     -10.404323     -0.411241      3.856132
  H      -8.644109     -1.115288     -0.374706
  H      -6.439197     -2.076482     -1.162388
  H      -4.771099     -2.825777      0.539514
  N      -5.026981      1.143119      3.577962
  N      -5.766563      0.776025      2.583243
  H      -6.705366      0.413682      2.708270
  H      -5.334739      0.684060      1.665701
99
Coordinates from ORCA-job orca E -6532.927082638066
  N      -4.636980      3.621612      5.145635
  Mo     -3.942014      1.767770      4.836876
  N      -4.573553      0.806313      6.404715
  C      -3.708443      0.969846      7.582852
  C      -3.123006      2.378083      7.665646
  N      -2.485708      2.744216      6.371985
  C      -2.472345      4.207950      6.138013
  C      -3.877617      4.691690      5.788294
  C      -1.106135      2.193449      6.212191
  C      -1.009139      1.696656      4.767888
  N      -2.180024      0.866263      4.517152
  H      -3.805287      5.555551      5.105424
  H      -4.404344      5.048724      6.694338
  H      -1.808692      4.383722      5.279354
  H      -2.052055      4.733765      7.011650
  H      -0.076873      1.134944      4.596550
  H      -0.983090      2.564326      4.087179
  H      -0.962002      1.364924      6.918222
  H      -0.360974      2.972839      6.439123
  H      -4.295260      0.780251      8.496561
  H      -2.892958      0.224916      7.557930
  H      -3.936228      3.092517      7.850203
  H      -2.393741      2.457402      8.488793
  C      -5.717430      4.126089      4.293176
  C      -7.004248      4.547469      5.025095
  C      -7.722659      3.313385      5.567904
  O      -7.879287      2.341754      4.490421
  C      -8.979439      2.392424      3.712688
  N     -10.172225      2.418636      4.270663
  C     -11.243695      2.307920      3.438815
  N     -11.245669      2.242856      2.122020
  C     -10.015804      2.274025      1.528146
  C      -9.895486      2.235433      0.116900
  C      -8.634309      2.232040     -0.440074
  C      -7.503945      2.281860      0.411322
  N      -7.572400      2.332584      1.734121
  C      -8.811973      2.327504      2.286350
  C      -1.946050     -0.571049      4.540511
  C      -1.351103     -1.178727      3.236472
  C      -2.376898     -2.061058      2.511903
  O      -2.297361     -2.073976      1.050205
  C      -2.817330     -1.045361      0.388945
  N      -3.173433      0.059574      1.022121
  C      -3.796343      1.019483      0.294304
  N      -4.135992      0.994102     -0.976927
  C      -3.747403     -0.132736     -1.655791
  C      -4.078193     -0.281302     -3.022554
  C      -3.679731     -1.426956     -3.677028
  C      -2.962634     -2.415901     -2.961715
  N      -2.652764     -2.324002     -1.675294
  C      -3.037954     -1.198196     -1.029389
  C      -5.823687      0.104261      6.649474
  C      -5.664598     -1.414164      6.916116
  C      -6.770168     -2.239048      6.281177
  O      -6.534002     -2.301020      4.846917
  C      -7.462394     -1.852322      4.002272
  N      -8.600220     -1.328007      4.421724
  C      -9.472720     -0.888398      3.475785
  N      -9.324382     -0.925060      2.165918
  C      -8.129953     -1.426834      1.719321
  C      -7.852193     -1.479754      0.330530
  C      -6.647719     -2.004989     -0.085407
  C      -5.719802     -2.458644      0.883202
  N      -5.934157     -2.413783      2.190192
  C      -7.129943     -1.922609      2.601342
  H      -5.357656      4.930482      3.626224
  H      -6.035517      3.305148      3.644049
  H      -6.805621      5.245935      5.853062
  H      -7.660961      5.064487      4.307995
  H      -8.708116      3.529289      6.001621
  H      -7.100429      2.799402      6.311920
  H     -12.207383      2.219122      3.944337
  H     -10.804148      2.188177     -0.484704
  H      -8.480212      2.187279     -1.520116
  H      -6.501913      2.267954     -0.031574
  H      -1.274275     -0.793332      5.389831
  H      -2.901414     -1.071231      4.758505
  H      -0.463427     -1.779434      3.479971
  H      -1.021079     -0.366096      2.577296
  H      -3.407346     -1.790305      2.782302
  H      -2.218009     -3.119051      2.752430
  H      -4.100221      1.901669      0.869441
  H      -4.644659      0.516280     -3.507675
  H      -3.907761     -1.584876     -4.731765
  H      -2.639373     -3.327140     -3.473054
  H      -6.499410      0.281306      5.802829
  H      -6.303181      0.561941      7.535387
  H      -4.688193     -1.756890      6.541995
  H      -5.689306     -1.615804      7.997835
  H      -7.761564     -1.805485      6.465353
  H      -6.756332     -3.279418      6.632592
  H     -10.395751     -0.431899      3.855121
  H      -8.603097     -1.107441     -0.367331
  H      -6.394813     -2.072088     -1.144469
  H      -4.752246     -2.858622      0.563291
  N      -5.015735      1.131858      3.599695
  N      -5.749685      0.755995      2.606223
  H      -6.696757      0.418681      2.743148
  H      -5.308432      0.635230      1.695603
99
Coordinates from ORCA-job orca E -6532.934421320282
  N      -4.619981      3.621581      5.123010
  Mo     -3.931494      1.759823      4.862524
  N      -4.578590      0.802647      6.424824
  C      -3.725048      0.968510      7.610672
  C      -3.135037      2.374174      7.690730
  N      -2.480086      2.732297      6.402954
  C      -2.464095      4.193819      6.159080
  C      -3.860089      4.681959      5.785060
  C      -1.103607      2.173578      6.255782
  C      -0.993487      1.691298      4.807760
  N      -2.166534      0.870889      4.536735
  H      -3.767502      5.546505      5.105360
  H      -4.401709      5.043620      6.680458
  H      -1.787332      4.362744      5.309259
  H      -2.055127      4.725931      7.034495
  H      -0.062900      1.126352      4.637246
  H      -0.953931      2.565684      4.136203
  H      -0.976121      1.338189      6.956889
  H      -0.356025      2.945872      6.499696
  H      -4.320121      0.786706      8.520917
  H      -2.912377      0.220006      7.597780
  H      -3.945334      3.095490      7.861477
  H      -2.416009      2.452677      8.523313
  C      -5.688563      4.146050      4.268331
  C      -6.973534      4.566323      5.002929
  C      -7.703038      3.333813      5.533238
  O      -7.866093      2.372771      4.448682
  C      -8.976099      2.418733      3.685491
  N     -10.163193      2.439927      4.256261
  C     -11.242382      2.313100      3.436371
  N     -11.256697      2.231712      2.120137
  C     -10.033375      2.267544      1.513421
  C      -9.925433      2.205952      0.102044
  C      -8.669568      2.203753     -0.466782
  C      -7.530899      2.277641      0.371385
  N      -7.588669      2.350839      1.694081
  C      -8.822600      2.343719      2.258901
  C      -1.940422     -0.568476      4.533761
  C      -1.358264     -1.160446      3.217559
  C      -2.393234     -2.030730      2.491582
  O      -2.311139     -2.042185      1.031013
  C      -2.835492     -1.017505      0.367559
  N      -3.199242      0.086676      0.998121
  C      -3.821804      1.044540      0.265301
  N      -4.155621      1.014756     -1.007404
  C      -3.762417     -0.112725     -1.682207
  C      -4.090291     -0.267515     -3.048968
  C      -3.687029     -1.414265     -3.698616
  C      -2.967562     -2.398513     -2.978862
  N      -2.660740     -2.301186     -1.692059
  C      -3.051348     -1.174328     -1.050867
  C      -5.831740      0.100677      6.654912
  C      -5.669264     -1.414065      6.933967
  C      -6.767834     -2.250360      6.302697
  O      -6.530628     -2.326278      4.868496
  C      -7.458259     -1.882254      4.020314
  N      -8.594068     -1.352558      4.438615
  C      -9.463286     -0.906963      3.492320
  N      -9.310634     -0.934249      2.182894
  C      -8.121185     -1.447718      1.736125
  C      -7.837422     -1.488173      0.348594
  C      -6.632895     -2.013677     -0.067045
  C      -5.713761     -2.486274      0.900412
  N      -5.935831     -2.458840      2.207255
  C      -7.128327     -1.959921      2.618453
  H      -5.316591      4.953579      3.612659
  H      -6.010835      3.336582      3.604710
  H      -6.776030      5.253725      5.840613
  H      -7.623840      5.097394      4.289889
  H      -8.685870      3.556359      5.969606
  H      -7.085909      2.808403      6.273846
  H     -12.201314      2.224409      3.951491
  H     -10.839060      2.141027     -0.490525
  H      -8.528307      2.141245     -1.547793
  H      -6.532800      2.264409     -0.079586
  H      -1.266994     -0.807992      5.377044
  H      -2.896519     -1.068147      4.751466
  H      -0.473176     -1.770098      3.448255
  H      -1.026604     -0.342307      2.565665
  H      -3.421061     -1.752529      2.764014
  H      -2.243021     -3.090447      2.730701
  H      -4.133300      1.924435      0.839340
  H      -4.659250      0.525033     -3.539462
  H      -3.913442     -1.576704     -4.753134
  H      -2.640006     -3.310238     -3.486783
  H      -6.492686      0.268737      5.794999
  H      -6.328253      0.565560      7.527741
  H      -4.689006     -1.755922      6.568591
  H      -5.697496     -1.607791      8.017302
  H      -7.763039     -1.823203      6.480943
  H      -6.745904     -3.287254      6.664076
  H     -10.386001     -0.450984      3.872299
  H      -8.581657     -1.101368     -0.348705
  H      -6.373564     -2.066817     -1.125495
  H      -4.745402     -2.884254      0.580187
  N      -5.003665      1.122278      3.621339
  N      -5.730267      0.737073      2.629729
  H      -6.686296      0.426429      2.772106
  H      -5.278607      0.586063      1.728049
99
Coordinates from ORCA-job orca E -6532.940870487434
  N      -4.599712      3.620376      5.101279
  Mo     -3.921534      1.753024      4.888725
  N      -4.581925      0.800907      6.447666
  C      -3.739977      0.968908      7.641463
  C      -3.146333      2.372592      7.717925
  N      -2.476712      2.721551      6.434534
  C      -2.457063      4.181130      6.180900
  C      -3.844100      4.672827      5.783607
  C      -1.103437      2.154865      6.298549
  C      -0.979864      1.686831      4.846720
  N      -2.155582      0.877498      4.555590
  H      -3.733211      5.538724      5.108223
  H      -4.401373      5.037235      6.668213
  H      -1.767634      4.343878      5.340055
  H      -2.059312      4.719466      7.057875
  H      -0.051129      1.118137      4.678656
  H      -0.927078      2.567438      4.184242
  H      -0.992661      1.311638      6.993063
  H      -0.353129      2.919240      6.559519
  H      -4.342495      0.794569      8.548457
  H      -2.929709      0.217536      7.640321
  H      -3.954098      3.099830      7.875728
  H      -2.436240      2.452271      8.558398
  C      -5.656992      4.160182      4.241921
  C      -6.941368      4.579220      4.977081
  C      -7.680512      3.348019      5.496228
  O      -7.848099      2.398005      4.403910
  C      -8.967389      2.439530      3.655119
  N     -10.148555      2.459896      4.238419
  C     -11.235393      2.321200      3.430645
  N     -11.262077      2.223244      2.115454
  C     -10.045274      2.259277      1.495828
  C      -9.950420      2.176245      0.084770
  C      -8.700012      2.173397     -0.495803
  C      -7.553198      2.267993      0.328672
  N      -7.599039      2.361732      1.650900
  C      -8.827451      2.354233      2.228466
  C      -1.938816     -0.563857      4.526576
  C      -1.371520     -1.140456      3.198024
  C      -2.416318     -1.999303      2.472941
  O      -2.331242     -2.010999      1.013526
  C      -2.860438     -0.990671      0.347528
  N      -3.235145      0.111383      0.976129
  C      -3.856077      1.067786      0.238077
  N      -4.179126      1.036103     -1.037210
  C      -3.778199     -0.090857     -1.708339
  C      -4.097455     -0.248944     -3.076772
  C      -3.686365     -1.395250     -3.722405
  C      -2.967168     -2.375942     -2.997496
  N      -2.668257     -2.275860     -1.708958
  C      -3.067323     -1.149614     -1.071672
  C      -5.836767      0.096869      6.664546
  C      -5.669113     -1.414801      6.952874
  C      -6.761270     -2.261662      6.324727
  O      -6.524430     -2.346408      4.890044
  C      -7.452659     -1.905877      4.040392
  N      -8.586351     -1.372033      4.459238
  C      -9.455076     -0.922604      3.514154
  N      -9.301720     -0.943901      2.204921
  C      -8.117248     -1.467376      1.756327
  C      -7.832174     -1.499989      0.369113
  C      -6.628691     -2.026153     -0.048674
  C      -5.714131     -2.512285      0.916118
  N      -5.939309     -2.496778      2.223122
  C      -7.127969     -1.991036      2.636944
  H      -5.273793      4.971228      3.597788
  H      -5.979540      3.360567      3.565534
  H      -6.744334      5.257532      5.822489
  H      -7.586353      5.121928      4.267670
  H      -8.661229      3.576357      5.934285
  H      -7.068554      2.812859      6.234426
  H     -12.189970      2.237416      3.954985
  H     -10.869008      2.096955     -0.498428
  H      -8.570938      2.094885     -1.577345
  H      -6.559262      2.254989     -0.131067
  H      -1.261831     -0.820894      5.361698
  H      -2.895576     -1.062139      4.745747
  H      -0.488504     -1.758278      3.415072
  H      -1.039695     -0.317428      2.552138
  H      -3.440948     -1.711963      2.747370
  H      -2.275704     -3.060397      2.712344
  H      -4.176235      1.944389      0.811985
  H      -4.666718      0.539797     -3.572952
  H      -3.906753     -1.559909     -4.777955
  H      -2.632916     -3.286898     -3.502580
  H      -6.483763      0.255637      5.792356
  H      -6.349953      0.566063      7.525323
  H      -4.685796     -1.754278      6.593055
  H      -5.698383     -1.602962      8.037358
  H      -7.759996     -1.842019      6.500440
  H      -6.730366     -3.296135      6.692443
  H     -10.377086     -0.467430      3.896289
  H      -8.572932     -1.103171     -0.326389
  H      -6.367164     -2.069851     -1.107137
  H      -4.746136     -2.909581      0.593914
  N      -4.991046      1.113078      3.644232
  N      -5.711129      0.716711      2.654626
  H      -6.676716      0.434670      2.797173
  H      -5.249417      0.532501      1.763813
99
Coordinates from ORCA-job orca E -6532.946768072032
  N      -4.576560      3.618884      5.085430
  Mo     -3.911590      1.747868      4.917738
  N      -4.583905      0.800293      6.474442
  C      -3.753810      0.969549      7.676429
  C      -3.157103      2.371766      7.749990
  N      -2.475270      2.712191      6.470242
  C      -2.451107      4.170300      6.208503
  C      -3.829656      4.664852      5.788978
  C      -1.104895      2.138341      6.343775
  C      -0.967570      1.685695      4.887876
  N      -2.145455      0.887416      4.575670
  H      -3.702726      5.533179      5.119445
  H      -4.403050      5.029348      6.663102
  H      -1.749419      4.328283      5.376973
  H      -2.064567      4.713753      7.087463
  H      -0.040451      1.113604      4.723009
  H      -0.902597      2.572733      4.235288
  H      -1.009854      1.286107      7.029585
  H      -0.352295      2.894423      6.622363
  H      -4.363615      0.801517      8.579843
  H      -2.945637      0.215868      7.686431
  H      -3.963049      3.103580      7.896261
  H      -2.454852      2.453719      8.597069
  C      -5.623122      4.169947      4.219449
  C      -6.908653      4.587236      4.952541
  C      -7.656311      3.356467      5.460297
  O      -7.826160      2.417820      4.359465
  C      -8.953626      2.455281      3.623733
  N     -10.129141      2.479046      4.218362
  C     -11.223229      2.332710      3.422054
  N     -11.261458      2.218327      2.108377
  C     -10.050604      2.250116      1.476854
  C      -9.968691      2.147724      0.066461
  C      -8.723646      2.142669     -0.525242
  C      -7.569208      2.254227      0.286129
  N      -7.602820      2.365665      1.607622
  C      -8.826090      2.359375      2.197029
  C      -1.937452     -0.555205      4.518407
  C      -1.387207     -1.113788      3.175826
  C      -2.442171     -1.962132      2.453249
  O      -2.355819     -1.975056      0.994632
  C      -2.893734     -0.962486      0.323803
  N      -3.287015      0.136345      0.947490
  C      -3.909374      1.086888      0.201277
  N      -4.217553      1.050207     -1.077214
  C      -3.801442     -0.075306     -1.741737
  C      -4.106936     -0.239969     -3.112575
  C      -3.680591     -1.384669     -3.751258
  C      -2.959510     -2.357300     -3.017593
  N      -2.672870     -2.251228     -1.726718
  C      -3.087581     -1.126750     -1.096234
  C      -5.839613      0.092654      6.677706
  C      -5.666760     -1.416703      6.971732
  C      -6.753068     -2.272251      6.344827
  O      -6.516894     -2.361733      4.909453
  C      -7.446131     -1.922855      4.059658
  N      -8.577071     -1.384596      4.480038
  C      -9.446339     -0.931826      3.536994
  N      -9.294390     -0.949500      2.227713
  C      -8.115097     -1.482460      1.776509
  C      -7.831372     -1.510676      0.389021
  C      -6.630129     -2.039263     -0.032072
  C      -5.718265     -2.536159      0.929615
  N      -5.943785     -2.528174      2.236915
  C      -7.127887     -2.015122      2.654532
  H      -5.229514      4.985192      3.587499
  H      -5.942480      3.378635      3.531421
  H      -6.712396      5.257797      5.804402
  H      -7.548753      5.139664      4.246052
  H      -8.635900      3.589093      5.898431
  H      -7.049994      2.812428      6.196862
  H     -12.174182      2.258648      3.954741
  H     -10.892069      2.057620     -0.507550
  H      -8.605637      2.050417     -1.606946
  H      -6.579698      2.241536     -0.182783
  H      -1.254828     -0.829971      5.343072
  H      -2.894092     -1.053037      4.739822
  H      -0.504964     -1.738363      3.376431
  H      -1.058057     -0.284723      2.536143
  H      -3.463417     -1.666536      2.730829
  H      -2.309693     -3.024198      2.693442
  H      -4.243717      1.959138      0.773161
  H      -4.678339      0.541863     -3.616990
  H      -3.890747     -1.553967     -4.808205
  H      -2.612799     -3.266590     -3.517324
  H      -6.472753      0.243238      5.793918
  H      -6.369226      0.563464      7.527458
  H      -4.680911     -1.752964      6.615503
  H      -5.696326     -1.601885      8.056845
  H      -7.754986     -1.860173      6.519684
  H      -6.713618     -3.305318      6.715650
  H     -10.366854     -0.476567      3.921949
  H      -8.570157     -1.106156     -0.304186
  H      -6.368841     -2.077056     -1.090879
  H      -4.751768     -2.934900      0.604793
  N      -4.977225      1.104364      3.670526
  N      -5.691332      0.695527      2.682981
  H      -6.666238      0.443652      2.820844
  H      -5.218826      0.475714      1.805186
99
Coordinates from ORCA-job orca E -6532.952278396064
  N      -4.550097      3.616612      5.073078
  Mo     -3.901447      1.742696      4.947548
  N      -4.584836      0.800449      6.503801
  C      -3.766260      0.970575      7.713548
  C      -3.166327      2.371414      7.784174
  N      -2.474597      2.703320      6.507244
  C      -2.444714      4.160232      6.238421
  C      -3.814997      4.657345      5.797584
  C      -1.106967      2.122610      6.388774
  C      -0.956142      1.685382      4.929074
  N      -2.135657      0.897853      4.595523
  H      -3.673921      5.528694      5.134753
  H      -4.404374      5.020091      6.661637
  H      -1.731260      4.314054      5.416275
  H      -2.068988      4.707850      7.119545
  H      -0.030555      1.109937      4.768136
  H      -0.879876      2.578568      4.286419
  H      -1.026451      1.261064      7.064798
  H      -0.352340      2.870172      6.684693
  H      -4.383178      0.808513      8.613287
  H      -2.960249      0.214652      7.734281
  H      -3.970897      3.106878      7.920185
  H      -2.470647      2.456508      8.636513
  C      -5.586401      4.175230      4.198788
  C      -6.874568      4.591489      4.927037
  C      -7.630407      3.361184      5.423707
  O      -7.800685      2.433352      4.314433
  C      -8.935339      2.466859      3.590429
  N     -10.105425      2.498102      4.195271
  C     -11.206579      2.347042      3.410021
  N     -11.255803      2.215633      2.098383
  C     -10.050385      2.238898      1.455953
  C      -9.981350      2.117866      0.046542
  C      -8.741647      2.108279     -0.555834
  C      -7.580008      2.233681      0.243029
  N      -7.601054      2.361410      1.563455
  C      -8.819420      2.358681      2.163767
  C      -1.935872     -0.545179      4.508914
  C      -1.405126     -1.082857      3.150586
  C      -2.470439     -1.921885      2.432548
  O      -2.384674     -1.935064      0.974469
  C      -2.934927     -0.932888      0.298051
  N      -3.354900      0.160048      0.915408
  C      -3.980442      1.102009      0.159622
  N      -4.267844      1.060411     -1.122969
  C      -3.828524     -0.060938     -1.779974
  C      -4.113148     -0.231894     -3.154537
  C      -3.663479     -1.372096     -3.785340
  C      -2.939583     -2.334011     -3.040656
  N      -2.671441     -2.221985     -1.746349
  C      -3.109752     -1.102175     -1.123563
  C      -5.840888      0.088788      6.694012
  C      -5.663733     -1.418742      6.992073
  C      -6.745735     -2.281228      6.366847
  O      -6.511959     -2.373153      4.930556
  C      -7.443121     -1.935304      4.081953
  N      -8.571329     -1.393463      4.504690
  C      -9.442257     -0.938766      3.564191
  N      -9.293101     -0.954548      2.254677
  C      -8.118462     -1.495128      1.800339
  C      -7.837891     -1.521269      0.412203
  C      -6.639219     -2.052401     -0.012839
  C      -5.728327     -2.556980      0.945617
  N      -5.952187     -2.553430      2.253361
  C      -7.131872     -2.033974      2.675323
  H      -5.182812      4.994636      3.578987
  H      -5.900180      3.390416      3.500704
  H      -6.679550      5.255867      5.784014
  H      -7.509583      5.151805      4.222130
  H      -8.609859      3.597346      5.859970
  H      -7.030587      2.809060      6.159731
  H     -12.154267      2.286554      3.950506
  H     -10.909517      2.019716     -0.518310
  H      -8.633754      2.003162     -1.637370
  H      -6.595419      2.220084     -0.235516
  H      -1.245688     -0.837389      5.320976
  H      -2.891577     -1.043628      4.733581
  H      -0.521951     -1.712198      3.331225
  H      -1.082203     -0.246175      2.517411
  H      -3.488089     -1.619847      2.715372
  H      -2.343989     -2.984735      2.672906
  H      -4.335315      1.967109      0.729179
  H      -4.687607      0.541201     -3.668646
  H      -3.857676     -1.545738     -4.844635
  H      -2.574105     -3.239364     -3.534121
  H      -6.460756      0.232180      5.799655
  H      -6.385709      0.559914      7.533768
  H      -4.676314     -1.752198      6.637287
  H      -5.692273     -1.601937      8.077620
  H      -7.750146     -1.875986      6.542849
  H      -6.698250     -3.313490      6.738903
  H     -10.361200     -0.483529      3.952187
  H      -8.576161     -1.111509     -0.278451
  H      -6.379701     -2.086699     -1.072198
  H      -4.763720     -2.957649      0.617770
  N      -4.962667      1.094255      3.698417
  N      -5.671300      0.672375      2.713217
  H      -6.655330      0.452193      2.842572
  H      -5.186854      0.415480      1.850645
99
Coordinates from ORCA-job orca E -6532.957487379449
  N      -4.520927      3.614004      5.062360
  Mo     -3.891806      1.737003      4.976412
  N      -4.585380      0.801474      6.534241
  C      -3.777268      0.972206      7.750747
  C      -3.173306      2.371421      7.817908
  N      -2.474022      2.694462      6.542823
  C      -2.437078      4.150320      6.267662
  C      -3.799261      4.650207      5.806880
  C      -1.109258      2.106664      6.430820
  C      -0.945849      1.684009      4.967952
  N      -2.126643      0.906982      4.613402
  H      -3.645644      5.524983      5.151312
  H      -4.403820      5.009849      6.661597
  H      -1.712582      4.300060      5.454615
  H      -2.071257      4.701165      7.150951
  H      -0.021944      1.104837      4.811582
  H      -0.858809      2.582667      4.334657
  H      -1.042078      1.236146      7.096821
  H      -0.352504      2.845442      6.743153
  H      -4.400867      0.816312      8.647026
  H      -2.973829      0.213735      7.781641
  H      -3.976573      3.110065      7.945013
  H      -2.482667      2.460095      8.674066
  C      -5.547464      4.177225      4.178663
  C      -6.839443      4.593764      4.899470
  C      -7.604047      3.364653      5.385426
  O      -7.773877      2.446397      4.268318
  C      -8.915182      2.475556      3.555197
  N     -10.079780      2.518297      4.169644
  C     -11.188240      2.363989      3.395732
  N     -11.248690      2.213781      2.086805
  C     -10.048604      2.224157      1.433870
  C      -9.993051      2.083210      0.025814
  C      -8.758971      2.065806     -0.587420
  C      -7.590186      2.203169      0.198799
  N      -7.597729      2.347999      1.517660
  C      -8.811025      2.351946      2.128746
  C      -1.934456     -0.535790      4.497711
  C      -1.423999     -1.051061      3.123148
  C      -2.498399     -1.883150      2.411100
  O      -2.413154     -1.896318      0.953540
  C      -2.977808     -0.905907      0.272107
  N      -3.430387      0.177131      0.884256
  C      -4.059574      1.110749      0.120364
  N      -4.321345      1.068150     -1.166824
  C      -3.853302     -0.045117     -1.818270
  C      -4.111871     -0.217925     -3.197636
  C      -3.633277     -1.349508     -3.822736
  C      -2.906238     -2.300968     -3.067938
  N      -2.661303     -2.186997     -1.769260
  C      -3.128747     -1.075967     -1.152056
  C      -5.841323      0.085778      6.712664
  C      -5.660757     -1.420195      7.013942
  C      -6.740221     -2.287975      6.391396
  O      -6.510489     -2.381042      4.954080
  C      -7.444411     -1.943553      4.107993
  N      -8.569504     -1.398394      4.534317
  C      -9.443101     -0.942492      3.597082
  N      -9.298465     -0.957878      2.287145
  C      -8.128417     -1.504824      1.828661
  C      -7.852913     -1.530528      0.439535
  C      -6.657172     -2.064209      0.009611
  C      -5.745583     -2.574225      0.964338
  N      -5.965751     -2.573057      2.272787
  C      -7.141026     -2.047916      2.699915
  H      -5.134094      5.000427      3.570672
  H      -5.854151      3.397330      3.472089
  H      -6.646229      5.253316      5.760501
  H      -7.468545      5.160611      4.194523
  H      -8.584137      3.604457      5.817900
  H      -7.011933      2.804979      6.122127
  H     -12.132521      2.320579      3.944011
  H     -10.926362      1.978679     -0.529266
  H      -8.660720      1.946767     -1.668415
  H      -6.611252      2.186058     -0.290035
  H      -1.235590     -0.844420      5.295861
  H      -2.888479     -1.035862      4.726491
  H      -0.538140     -1.682472      3.281948
  H      -1.110456     -0.205674      2.496567
  H      -3.512587     -1.576159      2.699682
  H      -2.376388     -2.946501      2.651854
  H      -4.439694      1.964643      0.689650
  H      -4.689941      0.546689     -3.720208
  H      -3.807277     -1.524101     -4.885357
  H      -2.517666     -3.199168     -3.556755
  H      -6.448917      0.222635      5.808964
  H      -6.399784      0.556664      7.543439
  H      -4.672726     -1.751546      6.658627
  H      -5.686881     -1.601807      8.099850
  H      -7.746398     -1.888467      6.570077
  H      -6.685453     -3.319781      6.763642
  H     -10.360027     -0.486769      3.988576
  H      -8.592004     -1.117170     -0.248024
  H      -6.400849     -2.096576     -1.050548
  H      -4.783072     -2.976774      0.632684
  N      -4.948964      1.082776      3.726534
  N      -5.653040      0.647967      2.744494
  H      -6.645551      0.461190      2.863024
  H      -5.155710      0.352962      1.899299
99
Coordinates from ORCA-job orca E -6532.962338978058
  N      -4.492234      3.613109      5.056466
  Mo     -3.883263      1.733037      5.005372
  N      -4.585529      0.802572      6.564938
  C      -3.787014      0.972808      7.787492
  C      -3.179469      2.370507      7.852681
  N      -2.474749      2.686875      6.579104
  C      -2.431135      4.142221      6.300358
  C      -3.785866      4.644570      5.821690
  C      -1.112496      2.092976      6.471546
  C      -0.936821      1.685800      5.005655
  N      -2.117786      0.918348      4.629398
  H      -3.621852      5.524311      5.175267
  H      -4.405081      4.998020      6.668406
  H      -1.696398      4.289706      5.496308
  H      -2.074953      4.694529      7.186650
  H      -0.014275      1.103430      4.853815
  H      -0.839837      2.590045      4.382113
  H      -1.057018      1.213269      7.126564
  H      -0.354112      2.822945      6.800457
  H      -4.416884      0.821580      8.680244
  H      -2.985951      0.212118      7.827126
  H      -3.982066      3.111186      7.973011
  H      -2.492687      2.462281      8.711654
  C      -5.509889      4.179142      4.163474
  C      -6.807224      4.594505      4.875101
  C      -7.580325      3.365947      5.348252
  O      -7.748121      2.458218      4.222032
  C      -8.895549      2.482707      3.518964
  N     -10.054832      2.538407      4.142105
  C     -11.170483      2.382509      3.379108
  N     -11.241870      2.214212      2.073215
  C     -10.046877      2.210099      1.410621
  C     -10.004717      2.050735      0.004050
  C      -8.776339      2.025169     -0.619915
  C      -7.600763      2.172540      0.154010
  N      -7.594672      2.332372      1.471195
  C      -8.802861      2.343537      2.092758
  C      -1.930626     -0.523397      4.484211
  C      -1.439895     -1.015658      3.093859
  C      -2.519889     -1.846846      2.389855
  O      -2.434506     -1.863719      0.932799
  C      -3.016603     -0.888252      0.245341
  N      -3.505661      0.181811      0.852049
  C      -4.141223      1.105800      0.081195
  N      -4.376520      1.063258     -1.210073
  C      -3.876795     -0.039495     -1.856352
  C      -4.109242     -0.212881     -3.240047
  C      -3.598288     -1.332940     -3.860356
  C      -2.864896     -2.272186     -3.096529
  N      -2.643246     -2.157358     -1.793757
  C      -3.143156     -1.058009     -1.181299
  C      -5.839970      0.081029      6.731668
  C      -5.654305     -1.423781      7.033244
  C      -6.731872     -2.295667      6.413026
  O      -6.507987     -2.386413      4.974343
  C      -7.445694     -1.946845      4.133287
  N      -8.566280     -1.398135      4.566354
  C      -9.444012     -0.939434      3.634641
  N      -9.307034     -0.953842      2.323971
  C      -8.142748     -1.506705      1.858221
  C      -7.875907     -1.532312      0.467483
  C      -6.684935     -2.070139      0.029734
  C      -5.770698     -2.586227      0.978472
  N      -5.983346     -2.586373      2.288196
  C      -7.152772     -2.054765      2.723265
  H      -5.087665      5.007148      3.568346
  H      -5.807496      3.403859      3.448193
  H      -6.617503      5.248889      5.740727
  H      -7.429753      5.167536      4.169400
  H      -8.561958      3.608065      5.775513
  H      -6.996827      2.798117      6.085736
  H     -12.111364      2.357754      3.934674
  H     -10.943266      1.941404     -0.541126
  H      -8.686815      1.893525     -1.700243
  H      -6.627900      2.152144     -0.345661
  H      -1.221744     -0.846390      5.267345
  H      -2.881460     -1.027449      4.718008
  H      -0.548649     -1.644609      3.230620
  H      -1.140087     -0.160851      2.473132
  H      -3.531723     -1.537612      2.682990
  H      -2.399024     -2.909638      2.633908
  H      -4.546554      1.948116      0.649919
  H      -4.693705      0.542070     -3.769569
  H      -3.751717     -1.507591     -4.926101
  H      -2.450570     -3.160910     -3.581410
  H      -6.436594      0.212487      5.819950
  H      -6.411268      0.549273      7.555120
  H      -4.666085     -1.751755      6.675075
  H      -5.676352     -1.605817      8.119186
  H      -7.739474     -1.902090      6.596502
  H      -6.669526     -3.327836      6.783007
  H     -10.357765     -0.482951      4.031769
  H      -8.617370     -1.115099     -0.215077
  H      -6.434758     -2.101632     -1.031868
  H      -4.812095     -2.992746      0.640436
  N      -4.936024      1.073888      3.754622
  N      -5.635599      0.628026      2.775172
  H      -6.635552      0.475445      2.880134
  H      -5.123845      0.296722      1.949307
99
Coordinates from ORCA-job orca E -6532.966789973765
  N      -4.465302      3.614452      5.052624
  Mo     -3.875755      1.731211      5.031951
  N      -4.585475      0.803632      6.592614
  C      -3.796193      0.972364      7.820926
  C      -3.185960      2.368742      7.885985
  N      -2.477160      2.680876      6.613961
  C      -2.427993      4.136283      6.334506
  C      -3.776133      4.640417      5.839992
  C      -1.117080      2.081993      6.509806
  C      -0.928505      1.690975      5.041367
  N      -2.108395      0.932245      4.642520
  H      -3.603985      5.527052      5.205111
  H      -4.409739      4.984006      6.680074
  H      -1.683605      4.283694      5.539549
  H      -2.081786      4.688417      7.224812
  H      -0.007015      1.105719      4.894792
  H      -0.821540      2.600648      4.427644
  H      -1.072540      1.192942      7.153042
  H      -0.357684      2.803003      6.856014
  H      -4.432346      0.824220      8.709803
  H      -2.997212      0.209857      7.868325
  H      -3.988600      3.110368      8.001105
  H      -2.502416      2.463017      8.747275
  C      -5.474985      4.182264      4.151213
  C      -6.778861      4.593508      4.853369
  C      -7.559290      3.364318      5.311758
  O      -7.724462      2.468937      4.174919
  C      -8.878224      2.488168      3.482513
  N     -10.031895      2.555953      4.114464
  C     -11.154943      2.400090      3.362449
  N     -11.237749      2.216792      2.059549
  C     -10.048133      2.199320      1.387252
  C     -10.019958      2.026001     -0.018100
  C      -8.797681      1.994780     -0.653471
  C      -7.615349      2.149745      0.108098
  N      -7.594922      2.319201      1.423968
  C      -8.797540      2.335869      2.056486
  C      -1.923785     -0.507829      4.470020
  C      -1.450650     -0.978529      3.066068
  C      -2.532193     -1.815725      2.373037
  O      -2.445604     -1.841081      0.916722
  C      -3.045305     -0.881241      0.223104
  N      -3.567668      0.175543      0.825055
  C      -4.209497      1.091160      0.048952
  N      -4.422070      1.049163     -1.245216
  C      -3.895131     -0.043493     -1.887092
  C      -4.106998     -0.216645     -3.273756
  C      -3.567538     -1.325206     -3.890675
  C      -2.826263     -2.252817     -3.120240
  N      -2.623103     -2.137866     -1.814416
  C      -3.151673     -1.050244     -1.205388
  C      -5.836562      0.073656      6.747361
  C      -5.642378     -1.430150      7.046450
  C      -6.718106     -2.306247      6.429124
  O      -6.502889     -2.390807      4.988532
  C      -7.445933     -1.947496      4.155218
  N      -8.561298     -1.396394      4.598227
  C      -9.445143     -0.934141      3.674411
  N      -9.318588     -0.945964      2.362788
  C      -8.160600     -1.502860      1.886599
  C      -7.905797     -1.527762      0.493734
  C      -6.721041     -2.070169      0.045164
  C      -5.802035     -2.592901      0.985403
  N      -6.003427     -2.594018      2.296925
  C      -7.165931     -2.056195      2.742760
  H      -5.045388      5.016752      3.570620
  H      -5.761300      3.412036      3.426044
  H      -6.594146      5.241609      5.724674
  H      -7.394885      5.172833      4.147193
  H      -8.542856      3.607072      5.733748
  H      -6.984239      2.787388      6.048959
  H     -12.091917      2.392894      3.925439
  H     -10.964031      1.913544     -0.552953
  H      -8.716484      1.854297     -1.733445
  H      -6.649349      2.128694     -0.403457
  H      -1.204306     -0.842356      5.238132
  H      -2.870229     -1.017640      4.709639
  H      -0.551155     -1.599789      3.182324
  H      -1.169158     -0.114551      2.449329
  H      -3.542859     -1.505598      2.668209
  H      -2.410150     -2.876692      2.624652
  H      -4.634992      1.924698      0.615843
  H      -4.699150      0.529429     -3.807501
  H      -3.704490     -1.499571     -4.958667
  H      -2.389269     -3.132096     -3.602310
  H      -6.423622      0.200654      5.828833
  H      -6.420408      0.536229      7.565171
  H      -4.654320     -1.752526      6.682608
  H      -5.657752     -1.614315      8.132148
  H      -7.727009     -1.919980      6.620448
  H      -6.646423     -3.339550      6.794159
  H     -10.355215     -0.478031      4.079427
  H      -8.651368     -1.106791     -0.181868
  H      -6.479913     -2.101172     -1.018488
  H      -4.849152     -3.005024      0.638289
  N      -4.923676      1.068496      3.778736
  N      -5.618436      0.614147      2.800044
  H      -6.624672      0.496181      2.888841
  H      -5.092246      0.250262      1.993865
99
Coordinates from ORCA-job orca E -6532.970841619317
  N      -4.439013      3.616958      5.049019
  Mo     -3.868036      1.730397      5.055679
  N      -4.584907      0.804537      6.616611
  C      -3.805281      0.971197      7.850968
  C      -3.193190      2.366411      7.917252
  N      -2.480624      2.675797      6.647000
  C      -2.426700      4.131663      6.368699
  C      -3.768854      4.636764      5.859681
  C      -1.122488      2.072486      6.546676
  C      -0.919565      1.697463      5.076489
  N      -2.097347      0.946969      4.654468
  H      -3.590451      5.531796      5.238335
  H      -4.416783      4.967521      6.693976
  H      -1.672885      4.280446      5.583085
  H      -2.091145      4.682647      7.263758
  H       0.001019      1.109227      4.936475
  H      -0.801885      2.612075      4.472261
  H      -1.089171      1.174191      7.177787
  H      -0.362668      2.784258      6.911047
  H      -4.448328      0.825319      8.735344
  H      -3.008349      0.206971      7.906117
  H      -3.996394      3.108303      8.027672
  H      -2.512857      2.462860      8.780842
  C      -5.441272      4.185792      4.139775
  C      -6.752672      4.590072      4.832133
  C      -7.539382      3.359321      5.274084
  O      -7.702004      2.478176      4.125303
  C      -8.862202      2.492055      3.444261
  N     -10.009925      2.571162      4.085248
  C     -11.140526      2.416596      3.344336
  N     -11.235260      2.220972      2.044305
  C     -10.051341      2.190976      1.362132
  C     -10.037788      2.007303     -0.042156
  C      -8.822079      1.972075     -0.689654
  C      -7.632533      2.132376      0.059092
  N      -7.597218      2.307341      1.374148
  C      -8.793955      2.328381      2.018375
  C      -1.913207     -0.491037      4.457017
  C      -1.458124     -0.940881      3.040549
  C      -2.539144     -1.789210      2.362237
  O      -2.454869     -1.823651      0.906445
  C      -3.072794     -0.878692      0.208093
  N      -3.624977      0.165514      0.805768
  C      -4.271050      1.074290      0.024666
  N      -4.462988      1.033045     -1.272194
  C      -3.913117     -0.050817     -1.909658
  C      -4.106470     -0.223501     -3.298895
  C      -3.542194     -1.321725     -3.912256
  C      -2.794484     -2.238887     -3.135545
  N      -2.607814     -2.123886     -1.827179
  C      -3.161564     -1.046978     -1.221669
  C      -5.831273      0.063911      6.758871
  C      -5.625628     -1.438601      7.054518
  C      -6.699415     -2.319807      6.441224
  O      -6.494681     -2.396308      4.998536
  C      -7.443972     -1.947775      4.174979
  N      -8.553174     -1.394333      4.630247
  C      -9.444430     -0.927332      3.716060
  N      -9.330274     -0.935332      2.403326
  C      -8.179337     -1.495657      1.914383
  C      -7.938785     -1.519214      0.519070
  C      -6.761744     -2.067363      0.057582
  C      -5.836850     -2.598033      0.987475
  N      -6.024429     -2.599901      2.301068
  C      -7.178802     -2.055291      2.759674
  H      -5.005798      5.028238      3.575251
  H      -5.713965      3.421220      3.403616
  H      -6.574295      5.230831      5.710125
  H      -7.362307      5.175961      4.125899
  H      -8.524944      3.601641      5.691228
  H      -6.972348      2.772316      6.009668
  H     -12.073061      2.425746      3.914923
  H     -10.987690      1.893160     -0.566254
  H      -8.749733      1.825655     -1.769466
  H      -6.673467      2.112058     -0.464908
  H      -1.181929     -0.834648      5.209577
  H      -2.854122     -1.007975      4.703678
  H      -0.547461     -1.549531      3.134708
  H      -1.201157     -0.067251      2.426722
  H      -3.548825     -1.480760      2.660593
  H      -2.412586     -2.847582      2.622819
  H      -4.712933      1.902226      0.587530
  H      -4.704787      0.514975     -3.836405
  H      -3.664264     -1.495800     -4.982102
  H      -2.337661     -3.109630     -3.614703
  H      -6.409627      0.186549      5.834225
  H      -6.427826      0.518853      7.571788
  H      -4.637941     -1.753549      6.683076
  H      -5.632334     -1.625300      8.139901
  H      -7.709634     -1.941918      6.642048
  H      -6.616940     -3.354396      6.800224
  H     -10.350101     -0.471572      4.130699
  H      -8.689231     -1.093748     -0.148214
  H      -6.531677     -2.098027     -1.008521
  H      -4.891313     -3.017773      0.629506
  N      -4.910090      1.065397      3.797867
  N      -5.598742      0.604890      2.817787
  H      -6.610014      0.522115      2.887678
  H      -5.059738      0.212578      2.030238
99
Coordinates from ORCA-job orca E -6532.974549458182
  N      -4.416995      3.621650      5.052136
  Mo     -3.862711      1.731813      5.080064
  N      -4.584449      0.804594      6.640022
  C      -3.813517      0.967167      7.879977
  C      -3.200654      2.361379      7.949835
  N      -2.485951      2.671165      6.681208
  C      -2.428873      4.128179      6.407386
  C      -3.766522      4.633800      5.887309
  C      -1.129574      2.064449      6.583276
  C      -0.912957      1.707221      5.111331
  N      -2.087700      0.964357      4.665811
  H      -3.584596      5.539169      5.282038
  H      -4.427712      4.948079      6.717547
  H      -1.666936      4.280673      5.630506
  H      -2.103603      4.676222      7.308001
  H       0.007001      1.116779      4.976707
  H      -0.785269      2.627438      4.517776
  H      -1.106723      1.156320      7.200756
  H      -0.369800      2.766596      6.966408
  H      -4.462924      0.821537      8.759833
  H      -3.018428      0.201353      7.940764
  H      -4.004861      3.102639      8.057913
  H      -2.522596      2.458631      8.815094
  C      -5.413331      4.191790      4.137140
  C      -6.733293      4.585342      4.819505
  C      -7.525621      3.351465      5.240609
  O      -7.685459      2.488439      4.077060
  C      -8.851520      2.498088      3.406631
  N      -9.993902      2.586836      4.055443
  C     -11.131067      2.434564      3.324160
  N     -11.236487      2.229597      2.026661
  C     -10.057722      2.188577      1.335916
  C     -10.057118      1.996873     -0.067373
  C      -8.847314      1.958241     -0.725584
  C      -7.651535      2.122432      0.011851
  N      -7.603115      2.300741      1.326250
  C      -8.794433      2.325355      1.980931
  C      -1.899801     -0.470702      4.442450
  C      -1.459888     -0.897673      3.013720
  C      -2.532942     -1.764992      2.348079
  O      -2.449071     -1.810474      0.892653
  C      -3.085220     -0.882143      0.188029
  N      -3.663577      0.151020      0.779874
  C      -4.316331      1.050283     -0.006452
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  C      -3.925983     -0.072439     -1.936283
  C      -4.109340     -0.250862     -3.326032
  C      -3.524292     -1.341272     -3.933919
  C      -2.766008     -2.244499     -3.151046
  N      -2.588327     -2.123984     -1.841870
  C      -3.162966     -1.055079     -1.241724
  C      -5.824396      0.050951      6.770028
  C      -5.604801     -1.450425      7.058893
  C      -6.677348     -2.336102      6.450120
  O      -6.485502     -2.400636      5.005044
  C      -7.441412     -1.944296      4.193372
  N      -8.543911     -1.389315      4.662749
  C      -9.442920     -0.915608      3.759655
  N      -9.342116     -0.917682      2.445830
  C      -8.198562     -1.480282      1.942377
  C      -7.972937     -1.500168      0.544591
  C      -6.804163     -2.053664      0.068745
  C      -5.872873     -2.593534      0.986872
  N      -6.045735     -2.597694      2.302450
  C      -7.191624     -2.047217      2.775129
  H      -4.974120      5.044206      3.590635
  H      -5.670404      3.434266      3.388334
  H      -6.562941      5.216424      5.706052
  H      -7.336475      5.179143      4.114414
  H      -8.513234      3.591888      5.653569
  H      -6.966384      2.752028      5.972187
  H     -12.059387      2.457646      3.901357
  H     -11.012159      1.881620     -0.581825
  H      -8.782495      1.807005     -1.805260
  H      -6.698372      2.102998     -0.522685
  H      -1.155866     -0.820793      5.179243
  H      -2.833324     -0.998226      4.695351
  H      -0.534395     -1.486617      3.085743
  H      -1.234171     -0.012799      2.403819
  H      -3.544510     -1.464573      2.646854
  H      -2.395739     -2.819410      2.619323
  H      -4.772746      1.874417      0.550359
  H      -4.717277      0.477331     -3.866957
  H      -3.637917     -1.519918     -5.003938
  H      -2.292760     -3.108820     -3.625854
  H      -6.395842      0.170919      5.840824
  H      -6.432723      0.495218      7.580146
  H      -4.618283     -1.756212      6.676730
  H      -5.600053     -1.641436      8.143557
  H      -7.688434     -1.967509      6.663358
  H      -6.582961     -3.372695      6.800180
  H     -10.343573     -0.460384      4.185296
  H      -8.728389     -1.069004     -0.113280
  H      -6.585788     -2.082413     -0.999864
  H      -4.935268     -3.020880      0.617225
  N      -4.899103      1.067221      3.816164
  N      -5.580753      0.603797      2.832886
  H      -6.595874      0.557040      2.881565
  H      -5.031304      0.188770      2.060990
99
Coordinates from ORCA-job orca E -6532.977959587003
  N      -4.391887      3.626392      5.050930
  Mo     -3.855775      1.732763      5.100433
  N      -4.584516      0.805953      6.658846
  C      -3.823791      0.964744      7.905305
  C      -3.209429      2.357685      7.978708
  N      -2.491011      2.666507      6.712143
  C      -2.429392      4.124436      6.441911
  C      -3.761797      4.630686      5.910019
  C      -1.136754      2.055009      6.618939
  C      -0.904821      1.712652      5.146440
  N      -2.076857      0.978228      4.678224
  H      -3.576409      5.546072      5.320948
  H      -4.436478      4.928473      6.735407
  H      -1.658863      4.279370      5.674184
  H      -2.114866      4.669995      7.347813
  H       0.013780      1.118479      5.019376
  H      -0.764983      2.637024      4.562088
  H      -1.126363      1.138121      7.223779
  H      -0.377018      2.746927      7.020763
  H      -4.480963      0.820425      8.779704
  H      -3.031423      0.196597      7.973209
  H      -4.014171      3.098966      8.083217
  H      -2.534331      2.455706      8.846157
  C      -5.381291      4.197989      4.129414
  C      -6.710199      4.579932      4.800655
  C      -7.507055      3.342586      5.200094
  O      -7.664702      2.498677      4.021686
  C      -8.837707      2.503035      3.364245
  N      -9.973480      2.601055      4.022880
  C     -11.118364      2.450125      3.303481
  N     -11.236817      2.236165      2.008793
  C     -10.064532      2.184270      1.307540
  C     -10.079107      1.984531     -0.094396
  C      -8.876415      1.941535     -0.765197
  C      -7.672839      2.108062     -0.041280
  N      -7.609665      2.290183      1.272257
  C      -8.794383      2.320087      1.939116
  C      -1.888155     -0.453893      4.432912
  C      -1.468640     -0.859214      2.992215
  C      -2.536900     -1.743995      2.343870
  O      -2.459415     -1.797811      0.888804
  C      -3.111301     -0.882132      0.181110
  N      -3.710763      0.141578      0.768901
  C      -4.365606      1.035127     -0.022292
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  C      -2.750466     -2.240809     -3.154937
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  C      -5.817452      0.038381      6.775753
  C      -5.581531     -1.460727      7.060553
  C      -6.650962     -2.354008      6.457301
  O      -6.470610     -2.409540      5.010421
  C      -7.432595     -1.945497      4.210274
  N      -8.527270     -1.387346      4.693778
  C      -9.433501     -0.905995      3.801860
  N      -9.346410     -0.902610      2.487112
  C      -8.211269     -1.468998      1.969091
  C      -8.000782     -1.485830      0.568977
  C      -6.841437     -2.046601      0.078783
  C      -5.904502     -2.596735      0.985025
  N      -6.062241     -2.602218      2.302502
  C      -7.198578     -2.044361      2.789168
  H      -4.938886      5.060433      3.601338
  H      -5.621208      3.447800      3.367765
  H      -6.548730      5.200850      5.696043
  H      -7.306935      5.181653      4.096850
  H      -8.496411      3.580476      5.609943
  H      -6.954497      2.730327      5.926140
  H     -12.041188      2.485842      3.888964
  H     -11.040042      1.868654     -0.597667
  H      -8.822078      1.785610     -1.844636
  H      -6.725967      2.088142     -0.586971
  H      -1.131295     -0.810716      5.152869
  H      -2.815144     -0.989374      4.693714
  H      -0.528748     -1.427602      3.037916
  H      -1.278034      0.036162      2.385741
  H      -3.549124     -1.450256      2.646865
  H      -2.389067     -2.794748      2.623912
  H      -4.831984      1.858461      0.527793
  H      -4.724380      0.460650     -3.886577
  H      -3.613795     -1.525278     -5.015272
  H      -2.263479     -3.099584     -3.625965
  H      -6.381292      0.153800      5.841462
  H      -6.438772      0.472202      7.581730
  H      -4.595637     -1.756028      6.668539
  H      -5.565499     -1.653950      8.144746
  H      -7.663621     -1.995836      6.680786
  H      -6.543442     -3.391435      6.800903
  H     -10.328121     -0.449551      4.238570
  H      -8.760451     -1.047854     -0.079470
  H      -6.635013     -2.074021     -0.992249
  H      -4.976108     -3.034009      0.603830
  N      -4.885153      1.069070      3.829133
  N      -5.558551      0.603534      2.841406
  H      -6.575864      0.593674      2.866658
  H      -5.002301      0.169176      2.083063
99
Coordinates from ORCA-job orca E -6532.981099065799
  N      -4.378029      3.635261      5.065870
  Mo     -3.855825      1.738312      5.126523
  N      -4.585702      0.805638      6.681811
  C      -3.831670      0.956834      7.932933
  C      -3.217235      2.348770      8.013425
  N      -2.499221      2.662541      6.747996
  C      -2.436544      4.122503      6.486805
  C      -3.766940      4.629199      5.949932
  C      -1.146665      2.048555      6.654299
  C      -0.904146      1.725946      5.179822
  N      -2.072849      0.998918      4.689633
  H      -3.582412      5.556972      5.380172
  H      -4.452538      4.905725      6.773607
  H      -1.660672      4.283870      5.725945
  H      -2.130421      4.662549      7.398843
  H       0.013889      1.130482      5.054905
  H      -0.755964      2.656795      4.607854
  H      -1.145344      1.121435      7.243462
  H      -0.387142      2.730086      7.074203
  H      -4.494022      0.809915      8.803071
  H      -3.041190      0.186813      8.002495
  H      -4.022950      3.088736      8.119908
  H      -2.542507      2.444739      8.881321
  C      -5.364254      4.209798      4.142676
  C      -6.702401      4.574707      4.804895
  C      -7.502027      3.331084      5.175657
  O      -7.656988      2.513868      3.977470
  C      -8.835648      2.515721      3.330536
  N      -9.966719      2.619835      3.995975
  C     -11.116914      2.472817      3.284211
  N     -11.244647      2.255561      1.991102
  C     -10.076901      2.195758      1.282720
  C     -10.101456      1.991804     -0.118467
  C      -8.903366      1.945015     -0.797459
  C      -7.695007      2.111464     -0.082143
  N      -7.622279      2.294492      1.231000
  C      -8.802302      2.328352      1.905715
  C      -1.876468     -0.428443      4.416616
  C      -1.468630     -0.807529      2.964459
  C      -2.517591     -1.720982      2.324969
  O      -2.435919     -1.789978      0.870611
  C      -3.104320     -0.893817      0.153690
  N      -3.722338      0.122775      0.733172
  C      -4.389765      1.000900     -0.063740
  N      -4.552696      0.942050     -1.364184
  C      -3.955459     -0.127645     -1.981936
  C      -4.127717     -0.323904     -3.370805
  C      -3.511180     -1.404169     -3.965314
  C      -2.732655     -2.279252     -3.170111
  N      -2.564308     -2.141913     -1.861406
  C      -3.170581     -1.083158     -1.274184
  C      -5.809620      0.021880      6.786261
  C      -5.555744     -1.476026      7.059024
  C      -6.622838     -2.373856      6.458542
  O      -6.455158     -2.413623      5.009676
  C      -7.421066     -1.937005      4.221687
  N      -8.507430     -1.374638      4.718680
  C      -9.418336     -0.882445      3.837393
  N      -9.343621     -0.873109      2.521922
  C      -8.217367     -1.444688      1.990202
  C      -8.019922     -1.457583      0.588202
  C      -6.869727     -2.025878      0.084985
  C      -5.928928     -2.587285      0.980214
  N      -6.073745     -2.595091      2.299094
  C      -7.200683     -2.029613      2.798299
  H      -4.922311      5.084869      3.635133
  H      -5.586664      3.469531      3.365849
  H      -6.551001      5.181267      5.711830
  H      -7.293746      5.186904      4.105669
  H      -8.493011      3.563061      5.584521
  H      -6.954829      2.702296      5.891582
  H     -12.035797      2.517625      3.875228
  H     -11.066245      1.876441     -0.614438
  H      -8.855263      1.785744     -1.876829
  H      -6.751795      2.090441     -0.634210
  H      -1.106953     -0.789292      5.120709
  H      -2.794411     -0.977913      4.680915
  H      -0.510553     -1.346000      2.988119
  H      -1.318541      0.099381      2.363799
  H      -3.536048     -1.443901      2.622902
  H      -2.350699     -2.765275      2.618192
  H      -4.867445      1.823466      0.477685
  H      -4.753025      0.383414     -3.919786
  H      -3.615020     -1.596659     -5.033946
  H      -2.234627     -3.135267     -3.634569
  H      -6.368746      0.137421      5.849314
  H      -6.441720      0.440305      7.592056
  H      -4.571581     -1.758795      6.653558
  H      -5.526010     -1.676215      8.141652
  H      -7.636347     -2.027053      6.695504
  H      -6.502080     -3.413701      6.790045
  H     -10.306264     -0.423203      4.284594
  H      -8.782161     -1.011420     -0.051566
  H      -6.673509     -2.050841     -0.988013
  H      -5.009118     -3.033802      0.589083
  N      -4.881063      1.078962      3.848449
  N      -5.547462      0.615467      2.855749
  H      -6.565395      0.643966      2.857244
  H      -4.987928      0.168287      2.105050
99
Coordinates from ORCA-job orca E -6532.984044310862
  N      -4.353879      3.642867      5.066448
  Mo     -3.850534      1.741691      5.144156
  N      -4.588198      0.809207      6.696210
  C      -3.844908      0.955301      7.954232
  C      -3.227682      2.345429      8.039813
  N      -2.505242      2.658746      6.776772
  C      -2.437177      4.119638      6.520039
  C      -3.762647      4.627584      5.973472
  C      -1.155272      2.038860      6.688447
  C      -0.898302      1.728652      5.214321
  N      -2.064975      1.011107      4.703919
  H      -3.576467      5.565526      5.421076
  H      -4.460812      4.885980      6.792288
  H      -1.653795      4.282866      5.767456
  H      -2.140625      4.656637      7.436995
  H       0.017429      1.128176      5.096979
  H      -0.737106      2.662459      4.650648
  H      -1.167229      1.104104      7.265315
  H      -0.395709      2.709489      7.125701
  H      -4.515740      0.809722      8.818166
  H      -3.058230      0.181945      8.030372
  H      -4.032963      3.086242      8.143740
  H      -2.555674      2.440338      8.909857
  C      -5.333791      4.220563      4.138667
  C      -6.680905      4.570675      4.790413
  C      -7.482997      3.322324      5.136165
  O      -7.637424      2.529197      3.921327
  C      -8.823872      2.525099      3.289385
  N      -9.947333      2.636970      3.966043
  C     -11.105703      2.491178      3.267410
  N     -11.248057      2.267608      1.977045
  C     -10.087860      2.198071      1.256916
  C     -10.128218      1.987413     -0.142700
  C      -8.937796      1.934616     -0.834778
  C      -7.721083      2.099667     -0.133709
  N      -7.633745      2.286229      1.178367
  C      -8.806227      2.328108      1.865539
  C      -1.871260     -0.413070      4.412501
  C      -1.486974     -0.771561      2.949654
  C      -2.530761     -1.702422      2.329301
  O      -2.458304     -1.780058      0.875481
  C      -3.136613     -0.892479      0.156207
  N      -3.763998      0.121413      0.731403
  C      -4.430880      0.995314     -0.070985
  N      -4.584841      0.933665     -1.372787
  C      -3.981577     -0.135528     -1.985071
  C      -4.143446     -0.334413     -3.375042
  C      -3.519603     -1.413609     -3.963602
  C      -2.743315     -2.284742     -3.161875
  N      -2.583221     -2.144166     -1.852584
  C      -3.197408     -1.086698     -1.271007
  C      -5.803209      0.009322      6.785565
  C      -5.529602     -1.485236      7.054692
  C      -6.589800     -2.394142      6.458144
  O      -6.429823     -2.428037      5.008304
  C      -7.397446     -1.941518      4.228374
  N      -8.474187     -1.369760      4.735319
  C      -9.387317     -0.867572      3.861848
  N      -9.323179     -0.856554      2.545942
  C      -8.207130     -1.438412      2.003971
  C      -8.021305     -1.452684      0.600536
  C      -6.881907     -2.034017      0.087535
  C      -5.940252     -2.606763      0.974570
  N      -6.073496     -2.612070      2.294712
  C      -7.189495     -2.033914      2.803228
  H      -4.891208      5.106597      3.650864
  H      -5.538090      3.489775      3.347743
  H      -6.539075      5.164544      5.707297
  H      -7.266760      5.192008      4.094708
  H      -8.474800      3.549584      5.545245
  H      -6.939898      2.678875      5.842138
  H     -12.018081      2.545695      3.867713
  H     -11.098841      1.873033     -0.627419
  H      -8.902487      1.771347     -1.913864
  H      -6.783579      2.075057     -0.695433
  H      -1.090209     -0.781688      5.099373
  H      -2.784271     -0.967212      4.684560
  H      -0.515894     -1.286765      2.944388
  H      -1.375528      0.143524      2.352863
  H      -3.549875     -1.431976      2.631992
  H      -2.352231     -2.742497      2.630862
  H      -4.912124      1.821235      0.462398
  H      -4.766161      0.370603     -3.929669
  H      -3.615481     -1.608182     -5.032618
  H      -2.239319     -3.139761     -3.621762
  H      -6.353758      0.119977      5.843111
  H      -6.449845      0.415272      7.586257
  H      -4.545260     -1.755039      6.640778
  H      -5.489545     -1.686639      8.136756
  H      -7.605987     -2.060024      6.701889
  H      -6.454354     -3.433535      6.785147
  H     -10.267399     -0.401038      4.316824
  H      -8.783765     -0.997928     -0.032940
  H      -6.694909     -2.060675     -0.987069
  H      -5.030534     -3.067072      0.575934
  N      -4.868948      1.084810      3.858230
  N      -5.527377      0.621710      2.860403
  H      -6.543606      0.689221      2.836186
  H      -4.967895      0.162941      2.116086
99
Coordinates from ORCA-job orca E -6532.986788127791
  N      -4.339071      3.655007      5.081725
  Mo     -3.850450      1.750098      5.165979
  N      -4.591369      0.811349      6.712793
  C      -3.856184      0.949025      7.976362
  C      -3.237200      2.337458      8.070719
  N      -2.513282      2.655868      6.809739
  C      -2.442615      4.118655      6.562498
  C      -3.765930      4.628091      6.012507
  C      -1.165394      2.031933      6.722001
  C      -0.898254      1.738008      5.246799
  N      -2.062938      1.029787      4.717474
  H      -3.581781      5.577973      5.480150
  H      -4.474197      4.864414      6.829146
  H      -1.654796      4.287125      5.815845
  H      -2.152966      4.649784      7.485043
  H       0.015817      1.134517      5.131969
  H      -0.727588      2.676636      4.693928
  H      -1.187358      1.088541      7.284372
  H      -0.405771      2.691709      7.175455
  H      -4.533460      0.801209      8.834945
  H      -3.072441      0.172841      8.054408
  H      -4.042229      3.078195      8.177103
  H      -2.565955      2.428217      8.941701
  C      -5.316218      4.237708      4.154094
  C      -6.672475      4.568369      4.797424
  C      -7.476339      3.313653      5.112144
  O      -7.630223      2.550887      3.877508
  C      -8.822654      2.543236      3.257351
  N      -9.940421      2.660045      3.942284
  C     -11.104712      2.516774      3.252964
  N     -11.257902      2.290646      1.964404
  C     -10.103309      2.213999      1.235690
  C     -10.154846      1.998483     -0.162652
  C      -8.969920      1.939548     -0.863919
  C      -7.747364      2.102290     -0.173100
  N      -7.649904      2.291677      1.138077
  C      -8.816706      2.340693      1.834071
  C      -1.868677     -0.389828      4.402383
  C      -1.501949     -0.724318      2.929763
  C      -2.530646     -1.680033      2.323527
  O      -2.458633     -1.773811      0.870930
  C      -3.146832     -0.900715      0.143511
  N      -3.782349      0.113091      0.709738
  C      -4.456670      0.973909     -0.100257
  N      -4.611575      0.897820     -1.401478
  C      -4.002545     -0.173802     -2.003567
  C      -4.166425     -0.389381     -3.390912
  C      -3.536358     -1.470562     -3.968964
  C      -2.751907     -2.327275     -3.159551
  N      -2.589466     -2.170990     -1.852393
  C      -3.209681     -1.111326     -1.281115
  C      -5.795418     -0.007051      6.786485
  C      -5.500819     -1.498950      7.045908
  C      -6.553526     -2.417428      6.450269
  O      -6.401184     -2.442045      4.999476
  C      -7.367766     -1.940684      4.227724
  N      -8.433089     -1.356161      4.744126
  C      -9.345333     -0.839432      3.878129
  N      -9.290516     -0.825942      2.561858
  C      -8.186537     -1.421667      2.010205
  C      -8.010934     -1.436257      0.605611
  C      -6.883674     -2.033159      0.083552
  C      -5.943778     -2.620443      0.962807
  N      -6.067021     -2.624682      2.283940
  C      -7.170839     -2.031523      2.801058
  H      -4.876268      5.136900      3.688305
  H      -5.502545      3.519548      3.347054
  H      -6.541073      5.145581      5.726469
  H      -7.253377      5.201438      4.108247
  H      -8.468713      3.533821      5.523293
  H      -6.936573      2.652680      5.804392
  H     -12.012205      2.577588      3.860073
  H     -11.129474      1.885258     -0.639559
  H      -8.944058      1.772122     -1.942575
  H      -6.813296      2.072482     -0.740540
  H      -1.077517     -0.766123      5.073062
  H      -2.776175     -0.951565      4.677765
  H      -0.516253     -1.210122      2.899016
  H      -1.431393      0.198705      2.338781
  H      -3.554005     -1.422457      2.623719
  H      -2.335446     -2.713176      2.638446
  H      -4.941337      1.804565      0.422724
  H      -4.795639      0.304742     -3.951927
  H      -3.633560     -1.677871     -5.035472
  H      -2.243291     -3.183947     -3.611230
  H      -6.339334      0.102206      5.840152
  H      -6.455262      0.382108      7.584771
  H      -4.516652     -1.753945      6.622098
  H      -5.449664     -1.705157      8.126575
  H      -7.572272     -2.097207      6.702004
  H      -6.403064     -3.457139      6.769375
  H     -10.215816     -0.362290      4.340494
  H      -8.771401     -0.970004     -0.021986
  H      -6.704940     -2.060774     -0.992436
  H      -5.044834     -3.095621      0.557409
  N      -4.864508      1.099134      3.872088
  N      -5.516786      0.639679      2.869019
  H      -6.529110      0.747651      2.819176
  H      -4.959793      0.175743      2.125271
99
Coordinates from ORCA-job orca E -6532.989347623549
  N      -4.322617      3.667081      5.095799
  Mo     -3.849756      1.758253      5.185514
  N      -4.596010      0.814588      6.726929
  C      -3.869729      0.944224      7.996331
  C      -3.247430      2.330205      8.099268
  N      -2.520580      2.652540      6.840890
  C      -2.445586      4.116836      6.601916
  C      -3.766163      4.628713      6.048460
  C      -1.175042      2.023501      6.755042
  C      -0.897942      1.743076      5.279455
  N      -2.061360      1.045104      4.733131
  H      -3.583711      5.589326      5.535123
  H      -4.483787      4.844571      6.862484
  H      -1.653631      4.288512      5.860476
  H      -2.161579      4.642732      7.529191
  H       0.013931      1.135686      5.167473
  H      -0.717468      2.685482      4.736093
  H      -1.207201      1.072934      7.304785
  H      -0.415232      2.672906      7.222931
  H      -4.554342      0.795626      8.849025
  H      -3.089863      0.164405      8.077346
  H      -4.051142      3.072070      8.207602
  H      -2.577401      2.415987      8.971598
  C      -5.297170      4.255458      4.169076
  C      -6.662084      4.567004      4.804049
  C      -7.467856      3.306807      5.087500
  O      -7.622439      2.575562      3.833779
  C      -8.820728      2.563771      3.225576
  N      -9.932326      2.686349      3.919149
  C     -11.102890      2.544642      3.240064
  N     -11.267676      2.314716      1.953768
  C     -10.119150      2.229813      1.216061
  C     -10.182750      2.007645     -0.180506
  C      -9.003934      1.939936     -0.891418
  C      -7.774934      2.099250     -0.211759
  N      -7.666687      2.293957      1.097982
  C      -8.827218      2.353253      1.803191
  C      -1.870198     -0.370014      4.395004
  C      -1.524721     -0.680110      2.912553
  C      -2.541032     -1.657309      2.321700
  O      -2.472711     -1.765757      0.870200
  C      -3.168038     -0.904430      0.135695
  N      -3.808149      0.111617      0.692889
  C      -4.486829      0.961211     -0.125077
  N      -4.642188      0.871726     -1.425652
  C      -4.029501     -0.203494     -2.017571
  C      -4.192956     -0.433831     -3.402695
  C      -3.559089     -1.518463     -3.970000
  C      -2.771082     -2.364066     -3.152354
  N      -2.608232     -2.193557     -1.847057
  C      -3.232150     -1.130328     -1.286387
  C      -5.788850     -0.021859      6.784655
  C      -5.474026     -1.510523      7.036910
  C      -6.517815     -2.440263      6.442922
  O      -6.371068     -2.459572      4.991596
  C      -7.333139     -1.942500      4.224857
  N      -8.387016     -1.341887      4.746501
  C      -9.294596     -0.810470      3.884384
  N      -9.245152     -0.797301      2.567855
  C      -8.153229     -1.410446      2.011045
  C      -7.984201     -1.428710      0.605829
  C      -6.869176     -2.044392      0.079133
  C      -5.934772     -2.645949      0.954463
  N      -6.051758     -2.646439      2.276196
  C      -7.143455     -2.035201      2.797540
  H      -4.860563      5.167364      3.725246
  H      -5.466501      3.550584      3.346428
  H      -6.540858      5.127193      5.744893
  H      -7.237883      5.212070      4.121779
  H      -8.460238      3.520083      5.501904
  H      -6.931069      2.628038      5.764763
  H     -12.004974      2.611796      3.854447
  H     -11.161566      1.896131     -0.649213
  H      -8.989131      1.767071     -1.969385
  H      -6.844624      2.061293     -0.785016
  H      -1.069896     -0.756363      5.048657
  H      -2.774004     -0.936221      4.673748
  H      -0.526642     -1.137390      2.853744
  H      -1.494631      0.250265      2.329562
  H      -3.567227     -1.411026      2.622102
  H      -2.330321     -2.683838      2.648312
  H      -4.973046      1.796949      0.388356
  H      -4.824577      0.251949     -3.971166
  H      -3.656009     -1.736957     -5.034321
  H      -2.259749     -3.223569     -3.595567
  H      -6.325458      0.085400      5.834115
  H      -6.462124      0.351173      7.579458
  H      -4.489778     -1.751724      6.604923
  H      -5.412877     -1.719358      8.116547
  H      -7.539434     -2.134192      6.700627
  H      -6.352109     -3.479181      6.756756
  H     -10.155546     -0.319756      4.350616
  H      -8.739900     -0.951015     -0.019039
  H      -6.696025     -2.075580     -0.997690
  H      -5.046338     -3.137700      0.545813
  N      -4.859031      1.113908      3.883447
  N      -5.505679      0.658110      2.875205
  H      -6.511958      0.807945      2.798099
  H      -4.951811      0.192698      2.129161
99
Coordinates from ORCA-job orca E -6532.991725867108
  N      -4.306362      3.679602      5.112465
  Mo     -3.849058      1.766929      5.205126
  N      -4.601529      0.818748      6.740887
  C      -3.883893      0.940220      8.015783
  C      -3.256865      2.323299      8.127123
  N      -2.526621      2.649370      6.871601
  C      -2.446512      4.114830      6.640420
  C      -3.764479      4.629914      6.084828
  C      -1.183516      2.015048      6.787427
  C      -0.897942      1.746592      5.311486
  N      -2.060718      1.059145      4.750398
  H      -3.583807      5.600110      5.589270
  H      -4.489881      4.827165      6.896636
  H      -1.651484      4.288490      5.902836
  H      -2.166168      4.635756      7.571567
  H       0.011550      1.135314      5.201250
  H      -0.708624      2.692407      4.777031
  H      -1.224751      1.058515      7.326184
  H      -0.423372      2.654978      7.267597
  H      -4.575870      0.791894      8.862638
  H      -3.108629      0.156112      8.099932
  H      -4.058369      3.067185      8.237766
  H      -2.588028      2.403072      9.000840
  C      -5.279021      4.274406      4.188239
  C      -6.652017      4.567096      4.815263
  C      -7.460143      3.302283      5.066808
  O      -7.616427      2.603122      3.795137
  C      -8.820209      2.587032      3.198622
  N      -9.925632      2.716181      3.900590
  C     -11.102396      2.575706      3.231976
  N     -11.278649      2.341203      1.948283
  C     -10.136219      2.247063      1.201892
  C     -10.212024      2.016793     -0.192460
  C      -9.039454      1.937796     -0.912624
  C      -7.804103      2.092558     -0.244013
  N      -7.685018      2.294607      1.063659
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  C      -3.255334     -1.150310     -1.291216
  C      -5.783776     -0.033741      6.781667
  C      -5.451661     -1.519229      7.026970
  C      -6.485678     -2.459297      6.431738
  O      -6.340455     -2.476677      4.980264
  C      -7.295194     -1.943446      4.215536
  N      -8.337689     -1.325535      4.739871
  C      -9.238417     -0.779988      3.879587
  N      -9.192681     -0.769271      2.562914
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  H      -4.846522      5.198634      3.766269
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  H      -7.222479      5.224651      4.140520
  H      -8.452106      3.508967      5.485221
  H      -6.926527      2.605341      5.728000
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  H     -11.194915      1.907650     -0.653083
  H      -9.035947      1.758327     -1.989527
  H      -6.877834      2.043890     -0.822912
  H      -1.064012     -0.747616      5.023920
  H      -2.773460     -0.921556      4.670023
  H      -0.541033     -1.060101      2.807495
  H      -1.564009      0.303376      2.323985
  H      -3.581558     -1.401787      2.621128
  H      -2.323531     -2.653251      2.658023
  H      -5.007491      1.786694      0.354486
  H      -4.855939      0.195708     -3.989600
  H      -3.679185     -1.798136     -5.031934
  H      -2.275381     -3.263536     -3.578756
  H      -6.312075      0.072670      5.826657
  H      -6.470384      0.324155      7.572042
  H      -4.466593     -1.747989      6.589766
  H      -5.383622     -1.730886      8.105630
  H      -7.510651     -2.166187      6.691493
  H      -6.306654     -3.496823      6.742495
  H     -10.089586     -0.274216      4.347591
  H      -8.700004     -0.938551     -0.025851
  H      -6.679812     -2.100493     -1.008713
  H      -5.042227     -3.186131      0.531859
  N      -4.854005      1.130475      3.894934
  N      -5.496395      0.677918      2.882426
  H      -6.493960      0.869230      2.777646
  H      -4.944421      0.214628      2.132559
99
Coordinates from ORCA-job orca E -6532.993927951190
  N      -4.288612      3.689950      5.126004
  Mo     -3.847829      1.773398      5.222776
  N      -4.608003      0.824507      6.754760
  C      -3.898186      0.939484      8.034306
  C      -3.264391      2.318837      8.151468
  N      -2.530303      2.645815      6.898419
  C      -2.443502      4.111685      6.672143
  C      -3.758642      4.630480      6.114512
  C      -1.190109      2.004987      6.816936
  C      -0.897477      1.744567      5.341181
  N      -2.060576      1.067574      4.768119
  H      -3.578945      5.608225      5.633747
  H      -4.490321      4.813014      6.924171
  H      -1.646143      4.284572      5.936957
  H      -2.164719      4.629270      7.605599
  H       0.009117      1.128673      5.232752
  H      -0.699445      2.692616      4.813727
  H      -1.240113      1.044498      7.347978
  H      -0.429048      2.636666      7.306466
  H      -4.597391      0.794394      8.875877
  H      -3.128649      0.150180      8.122925
  H      -4.062436      3.066200      8.263610
  H      -2.596596      2.392666      9.026437
  C      -5.259700      4.291099      4.204755
  C      -6.639607      4.567535      4.824534
  C      -7.450644      3.299816      5.046788
  O      -7.609892      2.631256      3.759200
  C      -8.819247      2.610214      3.174872
  N      -9.918083      2.747850      3.885337
  C     -11.101380      2.608840      3.227860
  N     -11.289736      2.368739      1.947149
  C     -10.153810      2.263205      1.192052
  C     -10.242709      2.023397     -0.199661
  C      -9.076870      1.929909     -0.929008
  C      -7.834859      2.078204     -0.271731
  N      -7.703982      2.289520      1.033454
  C      -8.851146      2.378494      1.755737
  C      -1.878315     -0.336911      4.381747
  C      -1.580250     -0.591821      2.879598
  C      -2.564587     -1.614628      2.317143
  O      -2.502541     -1.749278      0.868123
  C      -3.212188     -0.911253      0.121324
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  C      -3.276956     -1.163641     -1.296156
  C      -5.781175     -0.040844      6.780528
  C      -5.436332     -1.523885      7.020174
  C      -6.462360     -2.472562      6.424804
  O      -6.317546     -2.491133      4.973350
  C      -7.263439     -1.944690      4.207277
  N      -8.298192     -1.312111      4.729699
  C      -9.190272     -0.756117      3.867276
  N      -9.143468     -0.749843      2.550541
  C      -8.072674     -1.399130      1.993444
  C      -7.911692     -1.434232      0.587872
  C      -6.819626     -2.089852      0.061047
  C      -5.899609     -2.711797      0.936896
  N      -6.009452     -2.696894      2.259315
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  H      -4.831213      5.226119      3.802831
  H      -5.399704      3.613538      3.353985
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  H      -7.204763      5.236950      4.157018
  H      -8.441651      3.501113      5.469829
  H      -6.920353      2.585604      5.692148
  H     -11.992024      2.690107      3.856901
  H     -11.229916      1.917973     -0.651849
  H      -9.085107      1.742688     -2.004513
  H      -6.913359      2.015530     -0.856837
  H      -1.059948     -0.744400      4.998508
  H      -2.774858     -0.911748      4.666625
  H      -0.559810     -0.983272      2.760332
  H      -1.639760      0.352673      2.322344
  H      -3.597225     -1.398124      2.619658
  H      -2.316457     -2.626157      2.664082
  H      -5.045311      1.775414      0.328605
  H      -4.882165      0.154663     -4.005609
  H      -3.694383     -1.839470     -5.032467
  H      -2.284517     -3.287988     -3.567984
  H      -6.301537      0.066061      5.821562
  H      -6.479357      0.304384      7.566461
  H      -4.451012     -1.743850      6.578661
  H      -5.362282     -1.737261      8.098112
  H      -7.489993     -2.189913      6.685645
  H      -6.272262     -3.508386      6.734442
  H     -10.034865     -0.237303      4.333193
  H      -8.655509     -0.939337     -0.037888
  H      -6.653920     -2.135854     -1.016413
  H      -5.029502     -3.235317      0.528596
  N      -4.849379      1.144231      3.905614
  N      -5.489212      0.693218      2.890129
  H      -6.475953      0.926187      2.756791
  H      -4.937096      0.233635      2.136502
99
Coordinates from ORCA-job orca E -6532.995944887718
  N      -4.272063      3.700532      5.139895
  Mo     -3.846408      1.780304      5.239075
  N      -4.615170      0.831019      6.766990
  C      -3.913065      0.940386      8.050960
  C      -3.272235      2.316142      8.173554
  N      -2.533643      2.643815      6.923344
  C      -2.440141      4.109761      6.701470
  C      -3.752635      4.632065      6.142478
  C      -1.196162      1.996924      6.844930
  C      -0.896801      1.742834      5.369594
  N      -2.060225      1.075567      4.786016
  H      -3.574002      5.616362      5.674968
  H      -4.489550      4.801688      6.950227
  H      -1.641087      4.281440      5.967882
  H      -2.161842      4.624401      7.636657
  H       0.006925      1.122476      5.262995
  H      -0.690644      2.692666      4.848337
  H      -1.253921      1.033566      7.370027
  H      -0.434449      2.621655      7.342258
  H      -4.619369      0.799294      8.887390
  H      -3.149349      0.145960      8.144655
  H      -4.066666      3.067142      8.287013
  H      -2.605854      2.383814      9.050041
  C      -5.242350      4.308202      4.222728
  C      -6.628047      4.569127      4.836838
  C      -7.441379      3.299086      5.031465
  O      -7.603968      2.659904      3.729700
  C      -8.818535      2.632547      3.157207
  N      -9.911308      2.777803      3.875448
  C     -11.100519      2.640661      3.228213
  N     -11.299807      2.396236      1.950158
  C     -10.169869      2.279924      1.187308
  C     -10.270777      2.031865     -0.201916
  C      -9.111083      1.924041     -0.939113
  C      -7.863252      2.064799     -0.291663
  N      -7.721452      2.284681      1.010880
  C      -8.862356      2.390071      1.740196
  C      -1.882098     -0.322629      4.375377
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  C      -5.779573     -0.046280      6.776905
  C      -5.423488     -1.526853      7.011118
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  C      -7.232405     -1.947435      4.194302
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  C      -9.144029     -0.735636      3.852654
  N      -9.098632     -0.733826      2.535904
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  C      -5.885426     -2.745789      0.924043
  N      -5.990434     -2.721589      2.246793
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  H      -4.818282      5.253432      3.840354
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  H      -9.129500      1.730119     -2.013222
  H      -6.946465      1.987854     -0.882443
  H      -1.054304     -0.739689      4.972541
  H      -2.774219     -0.902576      4.663813
  H      -0.579156     -0.901405      2.713890
  H      -1.719195      0.400406      2.322797
  H      -3.608695     -1.400177      2.618944
  H      -2.301850     -2.600073      2.670733
  H      -5.081575      1.759900      0.304169
  H      -4.905611      0.110729     -4.019502
  H      -3.704946     -1.882195     -5.031849
  H      -2.287708     -3.312837     -3.556659
  H      -6.291426      0.061230      5.813670
  H      -6.489317      0.287316      7.557582
  H      -4.437033     -1.738351      6.567702
  H      -5.345899     -1.742727      8.088320
  H      -7.471923     -2.209853      6.672163
  H      -6.241811     -3.517058      6.724029
  H      -9.981317     -0.204510      4.317704
  H      -8.621483     -0.944284     -0.052553
  H      -6.639762     -2.173390     -1.030340
  H      -5.023153     -3.282143      0.515916
  N      -4.844026      1.158840      3.915030
  N      -5.481961      0.708168      2.897500
  H      -6.455179      0.980654      2.735920
  H      -4.926433      0.255348      2.140740
99
Coordinates from ORCA-job orca E -6532.997768658691
  N      -4.255044      3.709142      5.149432
  Mo     -3.844867      1.785164      5.252747
  N      -4.623508      0.838971      6.778484
  C      -3.928511      0.944890      8.066173
  C      -3.279678      2.316521      8.191818
  N      -2.536000      2.642176      6.944154
  C      -2.434467      4.107595      6.724010
  C      -3.744112      4.633492      6.163115
  C      -1.201809      1.987709      6.870667
  C      -0.895851      1.735606      5.396652
  N      -2.060145      1.077932      4.803902
  H      -3.565722      5.622707      5.706071
  H      -4.485420      4.793506      6.968869
  H      -1.633965      4.275878      5.991190
  H      -2.155383      4.620758      7.659780
  H       0.004324      1.109597      5.293278
  H      -0.680516      2.685856      4.879612
  H      -1.267968      1.023277      7.392895
  H      -0.438985      2.606485      7.373755
  H      -4.641737      0.810198      8.897954
  H      -3.171242      0.145015      8.166412
  H      -4.069743      3.072068      8.305540
  H      -2.614807      2.378526      9.069849
  C      -5.225124      4.322806      4.236350
  C      -6.615094      4.570842      4.846374
  C      -7.430812      3.299713      5.017223
  O      -7.597449      2.688068      3.703024
  C      -8.817111      2.654332      3.142656
  N      -9.903706      2.808289      3.868356
  C     -11.098691      2.673814      3.231039
  N     -11.308888      2.424769      1.955709
  C     -10.185044      2.295854      1.185665
  C     -10.297986      2.038824     -0.200877
  C      -9.144559      1.914709     -0.945192
  C      -7.890952      2.046654     -0.307214
  N      -7.737889      2.275956      0.992666
  C      -8.872804      2.399780      1.728289
  C      -1.887089     -0.313229      4.367758
  C      -1.639580     -0.510451      2.849045
  C      -2.579057     -1.584272      2.310028
  O      -2.520435     -1.737428      0.863076
  C      -3.245557     -0.920349      0.108493
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  C      -4.616020      0.900653     -0.203898
  N      -4.767602      0.770591     -1.501220
  C      -4.126129     -0.304009     -2.063287
  C      -4.277457     -0.574647     -3.442396
  C      -3.615222     -1.658399     -3.978383
  C      -2.810878     -2.463051     -3.135965
  N      -2.655585     -2.252173     -1.835629
  C      -3.306539     -1.189272     -1.306180
  C      -5.779680     -0.049120      6.775619
  C      -5.413690     -1.527749      7.004333
  C      -6.425390     -2.490962      6.407319
  O      -6.279166     -2.515054      4.955970
  C      -7.210231     -1.948755      4.186267
  N      -8.233033     -1.293801      4.704782
  C      -9.111915     -0.723151      3.838627
  N      -9.065622     -0.727196      2.521813
  C      -8.009589     -1.403822      1.969099
  C      -7.857144     -1.461485      0.563370
  C      -6.782914     -2.148738      0.040159
  C      -5.870654     -2.776002      0.920114
  N      -5.973090     -2.740622      2.242788
  C      -7.028082     -2.064675      2.760063
  H      -4.805120      5.276787      3.871560
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  H      -8.419045      3.490751      5.451016
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  H     -11.292931      1.943510     -0.638091
  H      -9.172657      1.713502     -2.017716
  H      -6.979365      1.953307     -0.903795
  H      -1.050721     -0.740931      4.944933
  H      -2.775705     -0.897410      4.658715
  H      -0.600901     -0.822597      2.668732
  H      -1.798847      0.441023      2.324279
  H      -3.619119     -1.407413      2.614288
  H      -2.286212     -2.578419      2.672270
  H      -5.119665      1.740876      0.285274
  H      -4.920710      0.079855     -4.033887
  H      -3.702455     -1.906530     -5.037016
  H      -2.278406     -3.322405     -3.553780
  H      -6.285138      0.059599      5.809371
  H      -6.498557      0.273719      7.552582
  H      -4.427384     -1.732459      6.557063
  H      -5.330387     -1.745753      8.080730
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  H      -9.945365     -0.183343      4.301034
  H      -8.594132     -0.960407     -0.065519
  H      -6.625333     -2.214777     -1.037475
  H      -5.013549     -3.322533      0.514473
  N      -4.838862      1.170145      3.922632
  N      -5.475908      0.717935      2.903633
  H      -6.434145      1.029091      2.713328
  H      -4.914504      0.272271      2.145025
99
Coordinates from ORCA-job orca E -6532.999402073515
  N      -4.239372      3.718932      5.158972
  Mo     -3.843333      1.791177      5.264869
  N      -4.632983      0.848019      6.787379
  C      -3.945897      0.951263      8.079148
  C      -3.289117      2.319161      8.207894
  N      -2.539167      2.642560      6.963391
  C      -2.429253      4.107178      6.744778
  C      -3.735894      4.636740      6.182188
  C      -1.208265      1.980606      6.895910
  C      -0.894772      1.728626      5.423744
  N      -2.059714      1.080232      4.822348
  H      -3.557500      5.630153      5.734430
  H      -4.481095      4.788486      6.985935
  H      -1.627360      4.271819      6.012629
  H      -2.149082      4.618931      7.680948
  H       0.001511      1.096431      5.324922
  H      -0.669573      2.678481      4.909935
  H      -1.282803      1.015894      7.416458
  H      -0.444724      2.594244      7.404120
  H      -4.666322      0.823346      8.905945
  H      -3.195155      0.146149      8.186892
  H      -4.074899      3.079190      8.321186
  H      -2.626570      2.375574      9.088014
  C      -5.209954      4.338609      4.250898
  C      -6.602907      4.574214      4.859082
  C      -7.420188      3.302042      5.008527
  O      -7.591674      2.715684      3.683903
  C      -8.815970      2.674371      3.135153
  N      -9.897302      2.835311      3.867295
  C     -11.096975      2.703967      3.238226
  N     -11.316190      2.452034      1.965073
  C     -10.197574      2.312077      1.189112
  C     -10.320464      2.048135     -0.195172
  C      -9.172180      1.909797     -0.944791
  C      -7.914121      2.032958     -0.314046
  N      -7.751733      2.269842      0.983183
  C      -8.881677      2.409882      1.723349
  C      -1.891037     -0.302803      4.360069
  C      -1.668446     -0.471028      2.835005
  C      -2.580234     -1.572209      2.305157
  O      -2.521347     -1.733104      0.859189
  C      -3.256107     -0.927751      0.101354
  N      -3.936053      0.081234      0.624673
  C      -4.646268      0.877075     -0.220110
  N      -4.794042      0.740530     -1.517011
  C      -4.139810     -0.328837     -2.074189
  C      -4.284100     -0.604928     -3.452949
  C      -3.609005     -1.683239     -3.983755
  C      -2.798937     -2.476992     -3.136603
  N      -2.649168     -2.260285     -1.836659
  C      -3.312554     -1.202654     -1.312323
  C      -5.780782     -0.050786      6.770473
  C      -5.403643     -1.526575      6.994242
  C      -6.407860     -2.497123      6.395479
  O      -6.260426     -2.524913      4.944129
  C      -7.187557     -1.952059      4.173905
  N      -8.204263     -1.288536      4.693168
  C      -9.081073     -0.713792      3.827786
  N      -9.040516     -0.724139      2.510954
  C      -7.992107     -1.411322      1.957222
  C      -7.848878     -1.480397      0.551146
  C      -6.783132     -2.179512      0.026570
  C      -5.869177     -2.805414      0.905646
  N      -5.963257     -2.759764      2.228605
  C      -7.010910     -2.073851      2.747369
  H      -4.794100      5.300825      3.903228
  H      -5.318917      3.699391      3.366097
  H      -6.519745      5.053432      5.847614
  H      -7.157088      5.275450      4.215470
  H      -8.406508      3.488101      5.448572
  H      -6.895884      2.543834      5.607235
  H     -11.972265      2.808915      3.885199
  H     -11.318510      1.958505     -0.626366
  H      -9.207624      1.703135     -2.015959
  H      -7.007121      1.925009     -0.915101
  H      -1.046181     -0.740961      4.916565
  H      -2.775810     -0.891800      4.653121
  H      -0.622882     -0.739305      2.626143
  H      -1.878102      0.479964      2.327341
  H      -3.624330     -1.419084      2.609075
  H      -2.262541     -2.556185      2.674092
  H      -5.158747      1.714334      0.264805
  H      -4.931852      0.041369     -4.048419
  H      -3.690373     -1.935151     -5.041911
  H      -2.256592     -3.332182     -3.550099
  H      -6.279222      0.057711      5.800636
  H      -6.509333      0.261835      7.542646
  H      -4.416268     -1.722565      6.545228
  H      -5.316631     -1.747541      8.069762
  H      -7.443231     -2.240367      6.652896
  H      -6.191083     -3.526538      6.708552
  H      -9.908212     -0.165553      4.291144
  H      -8.586450     -0.979109     -0.076848
  H      -6.633091     -2.255433     -1.051436
  H      -5.017563     -3.359395      0.498643
  N      -4.832566      1.182954      3.928415
  N      -5.468796      0.728313      2.908392
  H      -6.410107      1.073921      2.691894
  H      -4.899532      0.291582      2.148819
99
Coordinates from ORCA-job orca E -6533.000859958200
  N      -4.222303      3.725435      5.161494
  Mo     -3.842333      1.793589      5.273714
  N      -4.644420      0.858607      6.795782
  C      -3.964450      0.961514      8.090806
  C      -3.297893      2.324527      8.219362
  N      -2.541150      2.641489      6.977359
  C      -2.420527      4.104529      6.756736
  C      -3.723476      4.638682      6.191219
  C      -1.214748      1.969490      6.918306
  C      -0.893985      1.712446      5.449083
  N      -2.060546      1.073818      4.840513
  H      -3.543150      5.634431      5.749516
  H      -4.471966      4.786387      6.992705
  H      -1.617095      4.262344      6.024675
  H      -2.138017      4.616586      7.692054
  H      -0.002939      1.071912      5.356948
  H      -0.656688      2.659926      4.935921
  H      -1.299358      1.006404      7.440346
  H      -0.449563      2.578488      7.429646
  H      -4.691887      0.843670      8.913168
  H      -3.221528      0.150372      8.207794
  H      -4.078078      3.090554      8.330652
  H      -2.637597      2.376122      9.101463
  C      -5.193483      4.350871      4.258030
  C      -6.587816      4.577567      4.865988
  C      -7.407300      3.305549      4.998732
  O      -7.584570      2.741802      3.665296
  C      -8.813573      2.694273      3.128758
  N      -9.888897      2.864747      3.867557
  C     -11.093579      2.737499      3.247180
  N     -11.322965      2.480863      1.976765
  C     -10.210438      2.326401      1.194795
  C     -10.344459      2.052976     -0.186670
  C      -9.202190      1.897263     -0.941724
  C      -7.939121      2.011030     -0.319169
  N      -7.766128      2.257984      0.975188
  C      -8.890540      2.417313      1.720106
  C      -1.897410     -0.299902      4.349938
  C      -1.697944     -0.436799      2.819733
  C      -2.578141     -1.564800      2.293847
  O      -2.517306     -1.727616      0.848209
  C      -3.262555     -0.932587      0.089989
  N      -3.958744      0.065560      0.612623
  C      -4.678785      0.851308     -0.232960
  N      -4.820749      0.714603     -1.530626
  C      -4.148624     -0.343717     -2.087618
  C      -4.282193     -0.618365     -3.467829
  C      -3.589263     -1.685660     -3.997955
  C      -2.772071     -2.469954     -3.148793
  N      -2.630909     -2.253769     -1.847746
  C      -3.311668     -1.206794     -1.324124
  C      -5.785034     -0.049220      6.770365
  C      -5.398976     -1.523220      6.989709
  C      -6.399711     -2.499754      6.395539
  O      -6.255686     -2.529389      4.944158
  C      -7.179630     -1.953850      4.172601
  N      -8.195593     -1.286231      4.688261
  C      -9.069940     -0.712633      3.819443
  N      -9.028684     -0.730287      2.502605
  C      -7.981419     -1.423177      1.953313
  C      -7.838976     -1.502672      0.547628
  C      -6.775256     -2.208292      0.027317
  C      -5.861187     -2.828396      0.910404
  N      -5.954406     -2.772332      2.232957
  C      -7.001308     -2.081643      2.747289
  H      -4.780611      5.319479      3.924784
  H      -5.296459      3.722674      3.364550
  H      -6.506771      5.044676      5.860506
  H      -7.140136      5.287417      4.230210
  H      -8.391235      3.488393      5.445383
  H      -6.883776      2.535868      5.583480
  H     -11.963816      2.852828      3.898907
  H     -11.346008      1.969676     -0.611027
  H      -9.245842      1.683005     -2.011085
  H      -7.037695      1.885584     -0.925221
  H      -1.044966     -0.750008      4.884958
  H      -2.779366     -0.893302      4.642856
  H      -0.646931     -0.657516      2.583949
  H      -1.958367      0.512180      2.332449
  H      -3.626495     -1.439010      2.596944
  H      -2.233682     -2.538697      2.665587
  H      -5.204203      1.680708      0.251540
  H      -4.935602      0.020528     -4.065046
  H      -3.661825     -1.935948     -5.057177
  H      -2.215903     -3.316600     -3.561641
  H      -6.279936      0.059903      5.798939
  H      -6.519470      0.254583      7.540539
  H      -4.413086     -1.713853      6.534884
  H      -5.303995     -1.745156      8.064411
  H      -7.435827     -2.249758      6.656381
  H      -6.175089     -3.527373      6.709027
  H      -9.896043     -0.159872      4.279941
  H      -8.576307     -1.004720     -0.083387
  H      -6.626801     -2.293762     -1.050223
  H      -5.010971     -3.387255      0.506940
  N      -4.827977      1.190568      3.932144
  N      -5.464844      0.731883      2.911435
  H      -6.388982      1.111055      2.668797
  H      -4.888242      0.300309      2.152708
99
Coordinates from ORCA-job orca E -6533.002155267434
  N      -4.206297      3.733516      5.163038
  Mo     -3.841975      1.797448      5.280757
  N      -4.657636      0.870940      6.800810
  C      -3.985940      0.974098      8.099793
  C      -3.309181      2.332613      8.228152
  N      -2.544208      2.642092      6.989225
  C      -2.411784      4.103147      6.766041
  C      -3.710237      4.642880      6.197431
  C      -1.222597      1.959933      6.939687
  C      -0.893922      1.696030      5.473737
  N      -2.062246      1.067064      4.859016
  H      -3.526599      5.639940      5.760175
  H      -4.461502      4.788926      6.996552
  H      -1.606505      4.253284      6.034346
  H      -2.126818      4.615587      7.700340
  H      -0.008860      1.046224      5.389907
  H      -0.643383      2.639899      4.959919
  H      -1.317587      0.999128      7.463987
  H      -0.456009      2.564747      7.453731
  H      -4.720778      0.866633      8.917117
  H      -3.251196      0.157013      8.226903
  H      -4.083669      3.104795      8.336133
  H      -2.652125      2.379816      9.112858
  C      -5.178144      4.364840      4.264718
  C      -6.572763      4.584244      4.874457
  C      -7.394003      3.312561      4.994613
  O      -7.578149      2.765914      3.655478
  C      -8.811348      2.711231      3.130131
  N      -9.881697      2.889532      3.874547
  C     -11.090355      2.766220      3.261425
  N     -11.328022      2.506099      1.993320
  C     -10.220690      2.339376      1.206409
  C     -10.363621      2.058720     -0.172694
  C      -9.226112      1.888652     -0.931680
  C      -7.959438      1.993849     -0.315154
  N      -7.778265      2.248815      0.976176
  C      -8.897839      2.424162      1.724350
  C      -1.904415     -0.296791      4.341756
  C      -1.727823     -0.402186      2.807450
  C      -2.569037     -1.560183      2.283932
  O      -2.504652     -1.723916      0.838750
  C      -3.262780     -0.941106      0.080390
  N      -3.976132      0.045444      0.602428
  C      -4.706782      0.820215     -0.244075
  N      -4.842701      0.683245     -1.542094
  C      -4.151381     -0.362427     -2.099051
  C      -4.273523     -0.634799     -3.480745
  C      -3.560973     -1.689136     -4.010485
  C      -2.735583     -2.462803     -3.159582
  N      -2.603723     -2.247899     -1.857537
  C      -3.303671     -1.213628     -1.334239
  C      -5.791220     -0.045363      6.764680
  C      -5.394282     -1.515927      6.982097
  C      -6.388267     -2.500120      6.388137
  O      -6.243327     -2.535525      4.936900
  C      -7.167259     -1.958871      4.165173
  N      -8.178771     -1.286412      4.682731
  C      -9.055835     -0.714568      3.815709
  N      -9.023566     -0.740582      2.499047
  C      -7.981709     -1.439228      1.947411
  C      -7.849949     -1.529465      0.541542
  C      -6.791103     -2.240274      0.018717
  C      -5.870435     -2.853362      0.899602
  N      -5.953902     -2.787866      2.222421
  C      -6.996725     -2.093334      2.739354
  H      -4.767497      5.338828      3.944479
  H      -5.276838      3.746828      3.363581
  H      -6.491761      5.040871      5.873762
  H      -7.124360      5.301461      4.246443
  H      -8.375249      3.492908      5.447902
  H      -6.869912      2.534317      5.567340
  H     -11.956702      2.891001      3.916908
  H     -11.367803      1.981266     -0.591684
  H      -9.275962      1.668863     -1.999512
  H      -7.062547      1.854202     -0.924591
  H      -1.044333     -0.757638      4.854994
  H      -2.782730     -0.895472      4.634755
  H      -0.673114     -0.569949      2.546225
  H      -2.042950      0.541074      2.341931
  H      -3.621374     -1.468161      2.586284
  H      -2.192473     -2.521240      2.657913
  H      -5.246397      1.641017      0.239103
  H      -4.933375     -0.004082     -4.079414
  H      -3.623997     -1.937146     -5.070757
  H      -2.164138     -3.299303     -3.572000
  H      -6.280388      0.061553      5.790059
  H      -6.533450      0.251047      7.530209
  H      -4.407528     -1.698397      6.525721
  H      -5.295610     -1.738817      8.056242
  H      -7.426754     -2.256626      6.646092
  H      -6.156982     -3.524819      6.706150
  H      -9.876931     -0.156779      4.278247
  H      -8.591377     -1.035217     -0.087494
  H      -6.650667     -2.334197     -1.059108
  H      -5.022535     -3.413915      0.493894
  N      -4.823339      1.199895      3.934283
  N      -5.461202      0.737151      2.913916
  H      -6.367998      1.143761      2.650829
  H      -4.878888      0.308971      2.156947
99
Coordinates from ORCA-job orca E -6533.003295885374
  N      -4.188108      3.738219      5.157448
  Mo     -3.842018      1.797971      5.285538
  N      -4.672974      0.884881      6.805972
  C      -4.009150      0.990215      8.108339
  C      -3.320361      2.342756      8.233636
  N      -2.546377      2.640408      6.997412
  C      -2.399455      4.098705      6.768089
  C      -3.692058      4.645543      6.194024
  C      -1.230992      1.945241      6.959905
  C      -0.894558      1.669788      5.498199
  N      -2.065792      1.051855      4.878009
  H      -3.502122      5.641941      5.757994
  H      -4.445978      4.794809      6.990071
  H      -1.591632      4.237724      6.036863
  H      -2.111305      4.613187      7.700314
  H      -0.017309      1.008178      5.424875
  H      -0.627852      2.607989      4.981734
  H      -1.338513      0.988449      7.489044
  H      -0.462008      2.545848      7.475292
  H      -4.751389      0.896109      8.920806
  H      -3.283978      0.166420      8.247045
  H      -4.087720      3.122686      8.336424
  H      -2.666725      2.386359      9.121063
  C      -5.160322      4.375264      4.263137
  C      -6.554120      4.590902      4.875585
  C      -7.377592      3.320366      4.988503
  O      -7.569015      2.787142      3.645109
  C      -8.806680      2.727558      3.131835
  N      -9.870542      2.917429      3.882688
  C     -11.084159      2.798958      3.278511
  N     -11.332657      2.532369      2.013791
  C     -10.232202      2.349024      1.221070
  C     -10.386870      2.058024     -0.154744
  C      -9.256101      1.870185     -0.919250
  C      -7.984349      1.966544     -0.311548
  N      -7.792221      2.232369      0.976456
  C      -8.905344      2.426919      1.729668
  C      -1.915001     -0.300460      4.330746
  C      -1.761479     -0.372260      2.793379
  C      -2.558056     -1.560174      2.267763
  O      -2.490189     -1.718594      0.822125
  C      -3.262745     -0.947434      0.066509
  N      -3.998309      0.020422      0.592563
  C      -4.742710      0.784120     -0.251597
  N      -4.870920      0.653401     -1.551274
  C      -4.154655     -0.372788     -2.112926
  C      -4.261934     -0.635931     -3.497767
  C      -3.524154     -1.670706     -4.031503
  C      -2.688304     -2.434311     -3.181628
  N      -2.568546     -2.227038     -1.877142
  C      -3.293188     -1.211799     -1.349935
  C      -5.800802     -0.038616      6.764641
  C      -5.396176     -1.507361      6.980393
  C      -6.387783     -2.497265      6.392738
  O      -6.245970     -2.536461      4.941776
  C      -7.168560     -1.961314      4.167832
  N      -8.181147     -1.286645      4.680736
  C      -9.057080     -0.719294      3.809173
  N      -9.023001     -0.753566      2.492656
  C      -7.979823     -1.455198      1.946692
  C      -7.846087     -1.554439      0.541523
  C      -6.785380     -2.266969      0.024312
  C      -5.863989     -2.871578      0.910245
  N      -5.949238     -2.797171      2.232484
  C      -6.994777     -2.102081      2.743548
  H      -4.750479      5.352778      3.952788
  H      -5.257366      3.765441      3.356224
  H      -6.471191      5.040480      5.877942
  H      -7.105543      5.313697      4.253785
  H      -8.355894      3.500261      5.448263
  H      -6.853029      2.535550      5.551800
  H     -11.945121      2.936821      3.938075
  H     -11.394574      1.987068     -0.566445
  H      -9.315040      1.642511     -1.984953
  H      -7.093645      1.809997     -0.925948
  H      -1.047837     -0.773291      4.820782
  H      -2.790438     -0.904041      4.622268
  H      -0.705371     -0.481674      2.507697
  H      -2.134294      0.561849      2.352191
  H      -3.613504     -1.507207      2.570294
  H      -2.145499     -2.507303      2.639494
  H      -5.300603      1.590723      0.234572
  H      -4.929975     -0.013480     -4.095925
  H      -3.574910     -1.910859     -5.094288
  H      -2.097168     -3.255486     -3.597237
  H      -6.287521      0.067620      5.788806
  H      -6.547174      0.251589      7.528521
  H      -4.411130     -1.685779      6.518548
  H      -5.289995     -1.729040      8.054103
  H      -7.426507     -2.257884      6.653436
  H      -6.151051     -3.520036      6.713027
  H      -9.879043     -0.158944      4.267924
  H      -8.587741     -1.065337     -0.091376
  H      -6.643920     -2.368558     -1.052716
  H      -5.014677     -3.433801      0.509427
  N      -4.820177      1.204148      3.935628
  N      -5.460587      0.736927      2.915921
  H      -6.351730      1.169231      2.633357
  H      -4.874902      0.305560      2.162863
99
Coordinates from ORCA-job orca E -6533.004294177656
  N      -4.167145      3.742998      5.145113
  Mo     -3.842338      1.798634      5.287343
  N      -4.690394      0.903935      6.808661
  C      -4.035373      1.013704      8.114913
  C      -3.332218      2.359801      8.234067
  N      -2.547591      2.639849      7.000285
  C      -2.381984      4.094151      6.760435
  C      -3.666722      4.650608      6.179396
  C      -1.240458      1.928682      6.977574
  C      -0.896394      1.635654      5.521338
  N      -2.071997      1.030416      4.897447
  H      -3.466902      5.643674      5.740242
  H      -4.422030      4.809310      6.972231
  H      -1.571037      4.217494      6.029780
  H      -2.089525      4.612526      7.689107
  H      -0.029651      0.958984      5.462048
  H      -0.609849      2.564859      4.999012
  H      -1.363167      0.978121      7.514366
  H      -0.467912      2.524757      7.492690
  H      -4.785320      0.935561      8.922056
  H      -3.321005      0.182894      8.267308
  H      -4.091064      3.149029      8.328133
  H      -2.682839      2.401701      9.124648
  C      -5.139225      4.384283      4.253501
  C      -6.531194      4.602123      4.869632
  C      -7.358990      3.334872      4.984876
  O      -7.560844      2.803690      3.642645
  C      -8.802995      2.739801      3.141182
  N      -9.860661      2.942445      3.897805
  C     -11.079032      2.828044      3.302776
  N     -11.337751      2.553515      2.041901
  C     -10.243972      2.353732      1.243882
  C     -10.409668      2.052757     -0.128349
  C      -9.285265      1.848263     -0.897756
  C      -8.009059      1.936460     -0.298184
  N      -7.806825      2.212166      0.985908
  C      -8.913470      2.424843      1.743270
  C      -1.931720     -0.311992      4.325553
  C      -1.796854     -0.353480      2.786958
  C      -2.546887     -1.567575      2.253397
  O      -2.471751     -1.714503      0.807193
  C      -3.256828     -0.951606      0.055876
  N      -4.015181     -0.004801      0.588296
  C      -4.770604      0.751895     -0.252099
  N      -4.888124      0.633411     -1.553848
  C      -4.146287     -0.370178     -2.122832
  C      -4.235838     -0.617234     -3.511930
  C      -3.471995     -1.629231     -4.052324
  C      -2.627830     -2.386443     -3.205048
  N      -2.523145     -2.193395     -1.897298
  C      -3.273246     -1.200449     -1.363493
  C      -5.813595     -0.024815      6.760962
  C      -5.400380     -1.490225      6.979651
  C      -6.386467     -2.487648      6.394699
  O      -6.242377     -2.535551      4.944110
  C      -7.166623     -1.966389      4.166801
  N      -8.180036     -1.291945      4.677682
  C      -9.061161     -0.735435      3.804610
  N      -9.033565     -0.782238      2.488584
  C      -7.989825     -1.483887      1.944307
  C      -7.863525     -1.597620      0.539735
  C      -6.801324     -2.309058      0.024331
  C      -5.870578     -2.896856      0.911475
  N      -5.949167     -2.809664      2.233420
  C      -6.996852     -2.116972      2.742876
  H      -4.727935      5.362718      3.947960
  H      -5.237421      3.778328      3.344076
  H      -6.443561      5.050185      5.872191
  H      -7.082201      5.327736      4.250822
  H      -8.333579      3.518954      5.450588
  H      -6.834146      2.547558      5.544253
  H     -11.935052      2.979297      3.966290
  H     -11.420427      1.987947     -0.533316
  H      -9.352976      1.613345     -1.961203
  H      -7.124008      1.765131     -0.916562
  H      -1.060851     -0.798096      4.795623
  H      -2.806928     -0.916845      4.614991
  H      -0.741450     -0.406483      2.483186
  H      -2.221612      0.568654      2.367808
  H      -3.604717     -1.554558      2.553368
  H      -2.100123     -2.500777      2.620803
  H      -5.348070      1.541520      0.238638
  H      -4.910578     -0.000619     -4.108377
  H      -3.508218     -1.856206     -5.118509
  H      -2.016393     -3.189777     -3.625900
  H      -6.294878      0.077358      5.781954
  H      -6.566312      0.261961      7.519796
  H      -4.414704     -1.663264      6.517079
  H      -5.291452     -1.709042      8.053602
  H      -7.426965     -2.251728      6.651607
  H      -6.145694     -3.507212      6.722019
  H      -9.882963     -0.174775      4.262167
  H      -8.611630     -1.119808     -0.094081
  H      -6.664935     -2.421178     -1.052212
  H      -5.018715     -3.455899      0.511968
  N      -4.818952      1.206024      3.935928
  N      -5.464431      0.734518      2.919561
  H      -6.341808      1.186958      2.626295
  H      -4.880870      0.293985      2.170475
99
Coordinates from ORCA-job orca E -6533.005173841726
  N      -4.146045      3.746615      5.130850
  Mo     -3.842784      1.798824      5.288608
  N      -4.709401      0.922435      6.810382
  C      -4.064156      1.037127      8.120784
  C      -3.346763      2.375995      8.233832
  N      -2.549993      2.636963      7.003661
  C      -2.364352      4.086863      6.752532
  C      -3.639855      4.654473      6.162580
  C      -1.251898      1.909072      6.997833
  C      -0.898542      1.598489      5.547910
  N      -2.078198      1.007910      4.918231
  H      -3.427644      5.643202      5.719413
  H      -4.396828      4.825164      6.951370
  H      -1.549336      4.193154      6.023535
  H      -2.067913      4.609221      7.677738
  H      -0.043963      0.905215      5.504376
  H      -0.589356      2.517805      5.020613
  H      -1.391501      0.965201      7.542127
  H      -0.476121      2.500068      7.513897
  H      -4.822269      0.975372      8.921844
  H      -3.360912      0.199488      8.287399
  H      -4.096689      3.174869      8.317204
  H      -2.702836      2.416854      9.128450
  C      -5.118557      4.392546      4.242271
  C      -6.507867      4.612743      4.863355
  C      -7.339047      3.348192      4.983416
  O      -7.551111      2.817686      3.642296
  C      -8.798095      2.751683      3.153305
  N      -9.847874      2.970104      3.916498
  C     -11.071975      2.860972      3.332421
  N     -11.343665      2.576333      2.076403
  C     -10.258442      2.356994      1.271956
  C     -10.438391      2.044341     -0.096026
  C      -9.322649      1.821686     -0.872703
  C      -8.040566      1.902135     -0.284687
  N      -7.824999      2.189178      0.995243
  C      -8.923115      2.420964      1.759893
  C      -1.945429     -0.321890      4.316517
  C      -1.826733     -0.330704      2.777902
  C      -2.522275     -1.572274      2.233594
  O      -2.441997     -1.706039      0.786337
  C      -3.248754     -0.960066      0.040698
  N      -4.039390     -0.044771      0.581220
  C      -4.814704      0.697235     -0.253662
  N      -4.922672      0.591700     -1.557631
  C      -4.145912     -0.379925     -2.135483
  C      -4.217535     -0.609744     -3.528634
  C      -3.417773     -1.588897     -4.077563
  C      -2.555485     -2.330848     -3.234893
  N      -2.465505     -2.152738     -1.923839
  C      -3.250961     -1.192003     -1.381668
  C      -5.828260     -0.012126      6.759042
  C      -5.409919     -1.475941      6.979135
  C      -6.394216     -2.477229      6.398116
  O      -6.248855     -2.531746      4.948313
  C      -7.171798     -1.966448      4.167125
  N      -8.185643     -1.288279      4.672451
  C      -9.066159     -0.737807      3.794267
  N      -9.037877     -0.795675      2.478569
  C      -7.993203     -1.501231      1.940585
  C      -7.865325     -1.625895      0.536953
  C      -6.800485     -2.338250      0.027889
  C      -5.868311     -2.915627      0.920404
  N      -5.948493     -2.818254      2.241547
  C      -6.999296     -2.125467      2.744675
  H      -4.705870      5.371469      3.940412
  H      -5.219744      3.790042      3.330793
  H      -6.414604      5.060851      5.865449
  H      -7.059624      5.340021      4.247098
  H      -8.309931      3.536789      5.455043
  H      -6.813814      2.559211      5.540062
  H     -11.921234      3.029065      4.000221
  H     -11.453146      1.986001     -0.492031
  H      -9.402215      1.578488     -1.933515
  H      -7.162866      1.715555     -0.909232
  H      -1.071295     -0.820583      4.767090
  H      -2.820090     -0.929934      4.600751
  H      -0.774129     -0.321269      2.459597
  H      -2.305312      0.574597      2.381258
  H      -3.580308     -1.606089      2.532155
  H      -2.035887     -2.487992      2.594742
  H      -5.416840      1.463981      0.243676
  H      -4.906589     -0.006045     -4.122017
  H      -3.438989     -1.801358     -5.147215
  H      -1.915831     -3.108255     -3.662678
  H      -6.306344      0.087877      5.778194
  H      -6.584903      0.271286      7.515225
  H      -4.424751     -1.646334      6.514345
  H      -5.297403     -1.692499      8.053197
  H      -7.435150     -2.241018      6.653179
  H      -6.152940     -3.495101      6.730394
  H      -9.888084     -0.173073      4.247453
  H      -8.613939     -1.154531     -0.101231
  H      -6.662709     -2.458328     -1.047669
  H      -5.013640     -3.474782      0.526438
  N      -4.817558      1.206748      3.936820
  N      -5.469336      0.733274      2.923785
  H      -6.335747      1.204431      2.623469
  H      -4.890695      0.278864      2.179780
99
Coordinates from ORCA-job orca E -6533.005936472288
  N      -4.118819      3.746076      5.103428
  Mo     -3.842642      1.795410      5.284321
  N      -4.730003      0.947662      6.809840
  C      -4.094533      1.071472      8.124068
  C      -3.358864      2.401465      8.224594
  N      -2.548621      2.632913      6.997137
  C      -2.336629      4.075960      6.726782
  C      -3.600222      4.657739      6.125658
  C      -1.262909      1.883858      7.012802
  C      -0.901609      1.545817      5.571478
  N      -2.087591      0.972099      4.938832
  H      -3.371034      5.637889      5.671976
  H      -4.356403      4.849157      6.910386
  H      -1.517504      4.157244      5.999111
  H      -2.033739      4.605809      7.645595
  H      -0.063597      0.831613      5.548845
  H      -0.564531      2.449619      5.034277
  H      -1.423459      0.950838      7.569622
  H      -0.481765      2.469348      7.526854
  H      -4.860595      1.031172      8.918902
  H      -3.404434      0.226568      8.308165
  H      -4.097111      3.212561      8.291141
  H      -2.720994      2.444982      9.123383
  C      -5.090956      4.393571      4.215317
  C      -6.476547      4.626068      4.841121
  C      -7.315418      3.368626      4.979818
  O      -7.543263      2.823767      3.647090
  C      -8.795710      2.758656      3.171075
  N      -9.836903      2.997686      3.940175
  C     -11.067193      2.893378      3.368489
  N     -11.352483      2.595061      2.118737
  C     -10.276480      2.353147      1.308351
  C     -10.471284      2.027140     -0.054278
  C      -9.364616      1.783826     -0.837575
  C      -8.076970      1.855394     -0.260996
  N      -7.847555      2.153883      1.013717
  C      -8.936385      2.407968      1.784204
  C      -1.968137     -0.349846      4.318759
  C      -1.853106     -0.329672      2.781906
  C      -2.504994     -1.584721      2.216372
  O      -2.416778     -1.692610      0.767751
  C      -3.236055     -0.950895      0.030521
  N      -4.052508     -0.064266      0.581338
  C      -4.838878      0.673343     -0.247233
  N      -4.935233      0.588141     -1.553531
  C      -4.130621     -0.353403     -2.142351
  C      -4.183619     -0.557946     -3.540241
  C      -3.355345     -1.506729     -4.099914
  C      -2.483181     -2.243843     -3.263287
  N      -2.409247     -2.088484     -1.948472
  C      -3.222706     -1.157634     -1.395658
  C      -5.847390      0.011827      6.756606
  C      -5.426214     -1.450041      6.984243
  C      -6.408351     -2.455668      6.407254
  O      -6.257544     -2.520540      4.958254
  C      -7.181167     -1.968824      4.168007
  N      -8.202795     -1.295563      4.663201
  C      -9.087313     -0.765855      3.776815
  N      -9.058151     -0.841934      2.462198
  C      -8.004709     -1.541816      1.934401
  C      -7.875737     -1.686688      0.532900
  C      -6.801362     -2.392165      0.034513
  C      -5.860440     -2.941315      0.935304
  N      -5.942104     -2.825942      2.254895
  C      -7.003150     -2.141560      2.747810
  H      -4.673777      5.369154      3.908867
  H      -5.198947      3.787347      3.307011
  H      -6.374625      5.082915      5.838379
  H      -7.027348      5.351086      4.221408
  H      -8.281123      3.569915      5.456672
  H      -6.791516      2.582350      5.541347
  H     -11.909335      3.080111      4.040922
  H     -11.489778      1.976199     -0.441423
  H      -9.456628      1.531324     -1.895085
  H      -7.206565      1.652845     -0.890696
  H      -1.098367     -0.865713      4.758383
  H      -2.849164     -0.952395      4.594892
  H      -0.802917     -0.270959      2.460708
  H      -2.369337      0.562568      2.404260
  H      -3.563180     -1.653835      2.509331
  H      -1.991970     -2.490239      2.566184
  H      -5.462965      1.416920      0.257687
  H      -4.880648      0.040592     -4.129345
  H      -3.361329     -1.698754     -5.173553
  H      -1.821207     -2.997402     -3.699551
  H      -6.320346      0.107417      5.772828
  H      -6.608566      0.296027      7.507811
  H      -4.440676     -1.620896      6.520412
  H      -5.313335     -1.660216      8.059433
  H      -7.449982     -2.217568      6.657518
  H      -6.168329     -3.471208      6.747452
  H      -9.915283     -0.204751      4.222117
  H      -8.630753     -1.235688     -0.112284
  H      -6.661990     -2.526581     -1.039052
  H      -4.997250     -3.492852      0.549785
  N      -4.820229      1.197896      3.935610
  N      -5.483810      0.722396      2.930319
  H      -6.340995      1.211039      2.632345
  H      -4.919705      0.246519      2.190318
99
Coordinates from ORCA-job orca E -6533.006589835678
  N      -4.091827      3.751113      5.084827
  Mo     -3.840738      1.798807      5.283876
  N      -4.753996      0.971413      6.805911
  C      -4.134776      1.101887      8.127064
  C      -3.383306      2.423346      8.221953
  N      -2.554243      2.628115      7.002463
  C      -2.314952      4.064623      6.717773
  C      -3.563896      4.662902      6.102382
  C      -1.281197      1.858281      7.041798
  C      -0.905030      1.499956      5.608949
  N      -2.094268      0.947785      4.963234
  H      -3.315360      5.635259      5.642091
  H      -4.321781      4.873173      6.880645
  H      -1.489470      4.122410      5.994983
  H      -2.008604      4.599060      7.632825
  H      -0.085390      0.764233      5.607987
  H      -0.535607      2.389676      5.069178
  H      -1.465304      0.933933      7.605592
  H      -0.497468      2.435826      7.560882
  H      -4.911861      1.079593      8.911900
  H      -3.457474      0.250665      8.329174
  H      -4.110481      3.245599      8.268163
  H      -2.756360      2.469223      9.128314
  C      -5.063949      4.402127      4.198081
  C      -6.446587      4.641612      4.828244
  C      -7.289475      3.389071      4.983426
  O      -7.530391      2.832758      3.657286
  C      -8.788875      2.766247      3.196549
  N      -9.819068      3.022197      3.974753
  C     -11.057024      2.920134      3.419639
  N     -11.359872      2.608563      2.177209
  C     -10.295659      2.348397      1.356988
  C     -10.510116      2.010890      0.000033
  C      -9.415575      1.752763     -0.795233
  C      -8.120308      1.819191     -0.235776
  N      -7.872571      2.127012      1.033456
  C      -8.949080      2.397860      1.815878
  C      -1.983054     -0.361744      4.315298
  C      -1.870964     -0.310578      2.780436
  C      -2.474683     -1.581518      2.197501
  O      -2.382840     -1.671859      0.747963
  C      -3.227424     -0.952600      0.016743
  N      -4.077271     -0.102456      0.574307
  C      -4.886603      0.614903     -0.250000
  N      -4.977369      0.538812     -1.557409
  C      -4.137970     -0.367428     -2.153033
  C      -4.178618     -0.558947     -3.553172
  C      -3.314163     -1.470736     -4.119689
  C      -2.418287     -2.184164     -3.287563
  N      -2.354147     -2.039660     -1.970890
  C      -3.203321     -1.145286     -1.411367
  C      -5.868156      0.031238      6.745135
  C      -5.444154     -1.428732      6.978694
  C      -6.421350     -2.437305      6.397911
  O      -6.257369     -2.512693      4.950974
  C      -7.176862     -1.967448      4.151569
  N      -8.199829     -1.289229      4.637218
  C      -9.081513     -0.767017      3.743071
  N      -9.049108     -0.856049      2.429284
  C      -7.993724     -1.560278      1.911184
  C      -7.860611     -1.719026      0.511468
  C      -6.783311     -2.426940      0.022957
  C      -5.843238     -2.964745      0.931591
  N      -5.928862     -2.836811      2.249715
  C      -6.993136     -2.150841      2.733208
  H      -4.644261      5.376152      3.890325
  H      -5.177468      3.795118      3.290913
  H      -6.337558      5.105983      5.821369
  H      -6.998592      5.363473      4.205863
  H      -8.250882      3.599901      5.464913
  H      -6.766055      2.605498      5.549133
  H     -11.889394      3.123097      4.099209
  H     -11.533779      1.964456     -0.373939
  H      -9.523921      1.492861     -1.849454
  H      -7.259285      1.605741     -0.874905
  H      -1.117343     -0.893574      4.744031
  H      -2.869061     -0.962151      4.579641
  H      -0.824896     -0.200528      2.458755
  H      -2.425932      0.565381      2.419985
  H      -3.530471     -1.689318      2.488303
  H      -1.930501     -2.472020      2.538577
  H      -5.535905      1.332886      0.260206
  H      -4.894398      0.020181     -4.139299
  H      -3.309283     -1.651154     -5.195417
  H      -1.727621     -2.908318     -3.729313
  H      -6.333372      0.122698      5.757141
  H      -6.636306      0.314388      7.489654
  H      -4.455283     -1.597256      6.521015
  H      -5.336994     -1.636513      8.054934
  H      -7.465251     -2.195542      6.635342
  H      -6.186688     -3.450849      6.747764
  H      -9.910513     -0.201186      4.181195
  H      -8.614653     -1.276118     -0.140500
  H      -6.640768     -2.571455     -1.048939
  H      -4.977216     -3.517828      0.554190
  N      -4.814841      1.199892      3.935325
  N      -5.487512      0.727979      2.934738
  H      -6.338145      1.230955      2.641522
  H      -4.934161      0.236964      2.197939
99
Coordinates from ORCA-job orca E -6533.007128448272
  N      -4.061445      3.752941      5.057971
  Mo     -3.836449      1.800043      5.278384
  N      -4.776175      0.998839      6.799149
  C      -4.172896      1.139430      8.126519
  C      -3.404410      2.451371      8.211900
  N      -2.556478      2.623543      7.000339
  C      -2.287200      4.051594      6.696982
  C      -3.520564      4.666862      6.066723
  C      -1.297938      1.831575      7.065168
  C      -0.908679      1.446552      5.642562
  N      -2.101739      0.917071      4.985182
  H      -3.251210      5.628766      5.596289
  H      -4.278214      4.900104      6.838672
  H      -1.456675      4.081499      5.978322
  H      -1.975321      4.592649      7.606288
  H      -0.110169      0.688132      5.665675
  H      -0.504703      2.318249      5.097888
  H      -1.506498      0.918809      7.639079
  H      -0.510568      2.401648      7.586898
  H      -4.960233      1.137371      8.901351
  H      -3.508791      0.282713      8.348529
  H      -4.119026      3.285255      8.232988
  H      -2.789054      2.503122      9.125848
  C      -5.033356      4.404836      4.171252
  C      -6.411991      4.656395      4.805612
  C      -7.259465      3.410428      4.984747
  O      -7.518334      2.834712      3.669571
  C      -8.783097      2.768582      3.224458
  N      -9.801701      3.044839      4.010971
  C     -11.047494      2.944401      3.473649
  N     -11.368255      2.616500      2.240030
  C     -10.316336      2.336040      1.410564
  C     -10.551069      1.985197      0.060482
  C      -9.469134      1.711144     -0.746412
  C      -8.166324      1.773052     -0.204509
  N      -7.899512      2.090841      1.058198
  C      -8.963343      2.379905      1.851681
  C      -2.005484     -0.385169      4.320685
  C      -1.886532     -0.309000      2.788723
  C      -2.457918     -1.583853      2.183720
  O      -2.359725     -1.647964      0.733748
  C      -3.217090     -0.936836      0.009228
  N      -4.087221     -0.111259      0.572851
  C      -4.908490      0.596620     -0.248737
  N      -4.991998      0.532584     -1.557276
  C      -4.129768     -0.347837     -2.158869
  C      -4.158349     -0.523767     -3.561372
  C      -3.270924     -1.409668     -4.133463
  C      -2.364282     -2.112862     -3.304446
  N      -2.310429     -1.981958     -1.985904
  C      -3.182292     -1.113206     -1.420910
  C      -5.888114      0.056671      6.732529
  C      -5.463628     -1.402442      6.973377
  C      -6.438107     -2.413468      6.392844
  O      -6.265810     -2.496401      4.946989
  C      -7.183996     -1.966101      4.136281
  N      -8.216111     -1.291656      4.607445
  C      -9.097256     -0.789297      3.701781
  N      -9.057016     -0.895122      2.389437
  C      -7.991527     -1.594830      1.886325
  C      -7.850684     -1.773382      0.489710
  C      -6.764312     -2.477673      0.016402
  C      -5.822360     -2.991459      0.936813
  N      -5.915326     -2.845267      2.252512
  C      -6.989341     -2.164027      2.721361
  H      -4.610448      5.375325      3.856869
  H      -5.154399      3.792676      3.268428
  H      -6.295090      5.133529      5.791881
  H      -6.964531      5.372394      4.176959
  H      -8.215036      3.633919      5.472075
  H      -6.735710      2.632129      5.557419
  H     -11.869665      3.165600      4.160264
  H     -11.579747      1.942894     -0.299923
  H      -9.594241      1.442446     -1.796487
  H      -7.314828      1.547810     -0.852477
  H      -1.150421     -0.937135      4.745420
  H      -2.902486     -0.974639      4.572009
  H      -0.841892     -0.165685      2.475367
  H      -2.462870      0.557873      2.439046
  H      -3.512737     -1.716403      2.469165
  H      -1.896308     -2.468014      2.512622
  H      -5.575066      1.295910      0.264945
  H      -4.882758      0.046458     -4.145487
  H      -3.256018     -1.577072     -5.211200
  H      -1.655318     -2.816436     -3.750449
  H      -6.346197      0.145350      5.740913
  H      -6.662132      0.339303      7.471100
  H      -4.472949     -1.572809      6.520332
  H      -5.360418     -1.604916      8.050959
  H      -7.482693     -2.168946      6.623841
  H      -6.206788     -3.425780      6.748570
  H      -9.934416     -0.227053      4.128419
  H      -8.606389     -1.348690     -0.172337
  H      -6.615953     -2.636841     -1.052613
  H      -4.948566     -3.539978      0.571255
  N      -4.809350      1.196414      3.930821
  N      -5.493443      0.726826      2.936957
  H      -6.337856      1.243336      2.648296
  H      -4.953533      0.220180      2.202076
99
Coordinates from ORCA-job orca E -6533.007549012068
  N      -4.033633      3.758312      5.038090
  Mo     -3.832920      1.805252      5.274394
  N      -4.799646      1.025870      6.791061
  C      -4.213906      1.174682      8.125375
  C      -3.428853      2.476983      8.204649
  N      -2.562232      2.619019      7.002463
  C      -2.263060      4.038566      6.684236
  C      -3.480547      4.671840      6.040300
  C      -1.318953      1.805390      7.090647
  C      -0.915969      1.398644      5.677654
  N      -2.110410      0.893712      5.003695
  H      -3.190196      5.623740      5.562116
  H      -4.238002      4.926409      6.805743
  H      -1.428508      4.042337      5.969713
  H      -1.945293      4.583855      7.588996
  H      -0.138433      0.619436      5.722042
  H      -0.478441      2.254182      5.132986
  H      -1.551013      0.902248      7.670791
  H      -0.528648      2.366538      7.617554
  H      -5.011744      1.191301      8.889189
  H      -3.563411      0.312669      8.366913
  H      -4.130926      3.321424      8.200997
  H      -2.825992      2.534073      9.126560
  C      -5.004733      4.412038      4.151935
  C      -6.380291      4.674430      4.788790
  C      -7.231098      3.434950      4.990613
  O      -7.505841      2.842066      3.685981
  C      -8.776368      2.775598      3.257046
  N      -9.783149      3.067281      4.053245
  C     -11.036735      2.965403      3.535289
  N     -11.375707      2.622390      2.310760
  C     -10.336326      2.327305      1.470479
  C     -10.592141      1.963880      0.127770
  C      -9.523452      1.677485     -0.692080
  C      -8.212775      1.737376     -0.169235
  N      -7.926044      2.065295      1.086252
  C      -8.976817      2.369342      1.892162
  C      -2.025600     -0.399925      4.319702
  C      -1.896860     -0.304220      2.790510
  C      -2.441881     -1.582452      2.168365
  O      -2.335141     -1.626795      0.718953
  C      -3.207689     -0.931500     -0.001943
  N      -4.100695     -0.133418      0.564987
  C      -4.936979      0.558670     -0.255248
  N      -5.013108      0.503292     -1.564739
  C      -4.124572     -0.348681     -2.169860
  C      -4.139838     -0.512248     -3.574218
  C      -3.225988     -1.369325     -4.148756
  C      -2.306243     -2.055941     -3.320499
  N      -2.263518     -1.935331     -2.000638
  C      -3.161357     -1.095081     -1.433319
  C      -5.910061      0.082440      6.715680
  C      -5.484698     -1.374700      6.966091
  C      -6.451901     -2.390193      6.380844
  O      -6.264181     -2.482449      4.937148
  C      -7.181667     -1.966966      4.115908
  N      -8.221990     -1.297795      4.576185
  C      -9.104366     -0.812785      3.662459
  N      -9.058412     -0.930324      2.351393
  C      -7.984362     -1.624021      1.858929
  C      -7.837634     -1.815975      0.464744
  C      -6.744469     -2.516709      0.002293
  C      -5.800876     -3.012803      0.930865
  N      -5.898496     -2.853073      2.244640
  C      -6.979491     -2.175999      2.703234
  H      -4.578930      5.379515      3.832135
  H      -5.132014      3.795986      3.252585
  H      -6.257253      5.164396      5.768101
  H      -6.933411      5.383935      4.153276
  H      -8.181317      3.669515      5.483159
  H      -6.706445      2.662051      5.569668
  H     -11.848336      3.199202      4.230529
  H     -11.626061      1.922691     -0.217409
  H      -9.665832      1.400072     -1.737517
  H      -7.371156      1.502213     -0.826724
  H      -1.180520     -0.969171      4.741757
  H      -2.932218     -0.980521      4.556643
  H      -0.852563     -0.137445      2.487539
  H      -2.486957      0.555507      2.445721
  H      -3.495785     -1.735675      2.447456
  H      -1.866297     -2.460359      2.489647
  H      -5.622936      1.237237      0.260742
  H      -4.874635      0.044399     -4.158242
  H      -3.200193     -1.526164     -5.227888
  H      -1.576255     -2.736542     -3.768276
  H      -6.358696      0.166157      5.719119
  H      -6.691936      0.365941      7.445637
  H      -4.489436     -1.544370      6.522997
  H      -5.391048     -1.572952      8.045332
  H      -7.499291     -2.144401      6.597729
  H      -6.224214     -3.399978      6.746016
  H      -9.948800     -0.255362      4.080792
  H      -8.594894     -1.405009     -0.204206
  H      -6.592506     -2.687122     -1.064495
  H      -4.922503     -3.559295      0.573465
  N      -4.803010      1.200506      3.924774
  N      -5.496909      0.734843      2.936233
  H      -6.334804      1.262236      2.648961
  H      -4.966743      0.217306      2.201679
99
Coordinates from ORCA-job orca E -6533.004532221014
  N      -3.991193      3.777827      5.011067
  Mo     -3.832365      1.827294      5.256741
  N      -4.830930      1.068391      6.765031
  C      -4.263859      1.214942      8.106383
  C      -3.452750      2.503655      8.185449
  N      -2.566792      2.615493      6.995505
  C      -2.225686      4.025646      6.667315
  C      -3.420674      4.686745      6.009613
  C      -1.344242      1.774612      7.103481
  C      -0.931041      1.347017      5.697876
  N      -2.130059      0.874879      5.007744
  H      -3.102546      5.629652      5.526072
  H      -4.175321      4.964437      6.767893
  H      -1.387036      4.000494      5.959213
  H      -1.898197      4.570490      7.568115
  H      -0.181557      0.540531      5.763573
  H      -0.453779      2.185446      5.154552
  H      -1.603386      0.878101      7.686413
  H      -0.548442      2.323610      7.637724
  H      -5.072616      1.249667      8.857037
  H      -3.633103      0.343832      8.364434
  H      -4.136349      3.361689      8.158208
  H      -2.862697      2.560487      9.115042
  C      -4.963005      4.438242      4.130391
  C      -6.324860      4.716988      4.783830
  C      -7.161952      3.486548      5.029931
  O      -7.466979      2.862866      3.750857
  C      -8.763526      2.777290      3.368294
  N      -9.742898      3.088628      4.206207
  C     -11.027591      2.973734      3.742988
  N     -11.422109      2.600705      2.532744
  C     -10.412623      2.287635      1.648076
  C     -10.733252      1.903777      0.314110
  C      -9.695982      1.610910     -0.557279
  C      -8.351669      1.680244     -0.090869
  N      -8.004089      2.022760      1.154680
  C      -9.023659      2.338001      2.010566
  C      -2.071643     -0.410420      4.325272
  C      -1.935638     -0.310276      2.811392
  C      -2.467087     -1.581877      2.181464
  O      -2.335534     -1.622791      0.734237
  C      -3.201424     -0.941858     -0.010890
  N      -4.130802     -0.149065      0.526474
  C      -4.948058      0.525528     -0.332423
  N      -4.964670      0.461975     -1.650870
  C      -4.032628     -0.382152     -2.224886
  C      -3.971812     -0.550043     -3.638348
  C      -3.017455     -1.400396     -4.176800
  C      -2.130530     -2.074774     -3.305185
  N      -2.154031     -1.946871     -1.978039
  C      -3.093351     -1.114264     -1.445544
  C      -5.942031      0.125599      6.671191
  C      -5.518974     -1.330983      6.917784
  C      -6.477970     -2.346205      6.321014
  O      -6.276359     -2.436944      4.879908
  C      -7.197636     -1.946454      4.045582
  N      -8.253831     -1.301008      4.490931
  C      -9.136680     -0.847003      3.565893
  N      -9.076027     -0.973055      2.254774
  C      -7.987372     -1.641254      1.776932
  C      -7.826497     -1.839638      0.383391
  C      -6.719199     -2.517738     -0.066017
  C      -5.778370     -2.987147      0.876701
  N      -5.889008     -2.818992      2.191136
  C      -6.982257     -2.161845      2.635985
  H      -4.537841      5.402197      3.801591
  H      -5.103447      3.816851      3.236538
  H      -6.186476      5.226850      5.747261
  H      -6.889959      5.412527      4.147745
  H      -8.099601      3.732790      5.543524
  H      -6.620772      2.730147      5.607846
  H     -11.814343      3.229672      4.473211
  H     -11.790091      1.857302      0.013584
  H      -9.892097      1.323345     -1.599344
  H      -7.533281      1.441463     -0.787487
  H      -1.243736     -0.996628      4.747729
  H      -2.995223     -0.967453      4.552777
  H      -0.903140     -0.130618      2.529279
  H      -2.523504      0.531105      2.465093
  H      -3.516999     -1.730559      2.441741
  H      -1.898476     -2.455580      2.510983
  H      -5.665504      1.200853      0.157581
  H      -4.679471     -0.001713     -4.259302
  H      -2.934567     -1.559589     -5.260641
  H      -1.368826     -2.749069     -3.722984
  H      -6.377193      0.211727      5.669087
  H      -6.735075      0.402584      7.392990
  H      -4.518207     -1.498765      6.484032
  H      -5.437001     -1.532196      7.994945
  H      -7.529511     -2.104065      6.528786
  H      -6.249896     -3.355815      6.685241
  H      -9.995342     -0.312915      3.973066
  H      -8.583748     -1.451831     -0.296702
  H      -6.555427     -2.691333     -1.132894
  H      -4.890918     -3.519607      0.529448
  N      -4.815563      1.232767      3.912274
  N      -5.531963      0.771389      2.937768
  H      -6.351240      1.310417      2.662359
  H      -5.034063      0.256789      2.198627
99
Coordinates from ORCA-job orca E -6533.006788291640
  N      -3.975617      3.779096      5.015141
  Mo     -3.821598      1.836783      5.259175
  N      -4.845761      1.085089      6.755446
  C      -4.299394      1.234745      8.106008
  C      -3.482834      2.516002      8.195094
  N      -2.580064      2.613642      7.019157
  C      -2.220897      4.016843      6.690746
  C      -3.402961      4.687153      6.017989
  C      -1.367765      1.766320      7.147270
  C      -0.932660      1.326821      5.747409
  N      -2.122971      0.867601      5.035004
  H      -3.068169      5.624524      5.533580
  H      -4.163684      4.975213      6.770703
  H      -1.377147      3.977946      5.990435
  H      -1.894744      4.561387      7.594122
  H      -0.200130      0.510757      5.830236
  H      -0.429259      2.152637      5.211115
  H      -1.643171      0.876798      7.730035
  H      -0.577194      2.313133      7.693401
  H      -5.120004      1.276115      8.841846
  H      -3.677890      0.364090      8.378461
  H      -4.159015      3.375852      8.149092
  H      -2.906962      2.576749      9.134377
  C      -4.946315      4.437704      4.132320
  C      -6.315459      4.712887      4.779820
  C      -7.168391      3.484342      5.031575
  O      -7.489135      2.850599      3.756809
  C      -8.775349      2.773625      3.370271
  N      -9.752485      3.104714      4.190849
  C     -11.026294      3.002521      3.722764
  N     -11.411773      2.627364      2.521655
  C     -10.404763      2.293845      1.654462
  C     -10.715247      1.913737      0.329569
  C      -9.680512      1.605649     -0.527114
  C      -8.348092      1.653656     -0.054850
  N      -8.011237      1.989995      1.183172
  C      -9.028276      2.323922      2.025062
  C      -2.060139     -0.408510      4.323590
  C      -1.926310     -0.269576      2.800274
  C      -2.424326     -1.562240      2.164191
  O      -2.307522     -1.585888      0.714923
  C      -3.190151     -0.917064     -0.024067
  N      -4.097446     -0.127982      0.515934
  C      -4.929508      0.534619     -0.338001
  N      -4.978941      0.463628     -1.651657
  C      -4.068020     -0.377508     -2.228675
  C      -4.040767     -0.553242     -3.637435
  C      -3.112804     -1.403942     -4.178726
  C      -2.214625     -2.068395     -3.314414
  N      -2.203046     -1.930602     -1.991297
  C      -3.118083     -1.098520     -1.456493
  C      -5.950420      0.137159      6.652449
  C      -5.519633     -1.317935      6.910135
  C      -6.470171     -2.341221      6.311730
  O      -6.253640     -2.443421      4.871996
  C      -7.168537     -1.956777      4.028112
  N      -8.223676     -1.288573      4.464743
  C      -9.104988     -0.832782      3.532618
  N      -9.046852     -0.974072      2.221872
  C      -7.956953     -1.666062      1.752935
  C      -7.799303     -1.883378      0.360183
  C      -6.695891     -2.591340     -0.079712
  C      -5.751848     -3.067973      0.871514
  N      -5.856786     -2.878244      2.184471
  C      -6.949274     -2.194151      2.619960
  H      -4.521338      5.404315      3.803206
  H      -5.082795      3.815009      3.236131
  H      -6.180979      5.228962      5.744382
  H      -6.873461      5.407922      4.132990
  H      -8.103543      3.741343      5.542251
  H      -6.635817      2.724334      5.618472
  H     -11.809809      3.276013      4.437996
  H     -11.762364      1.884664      0.023440
  H      -9.870640      1.323845     -1.561859
  H      -7.529440      1.405083     -0.737921
  H      -1.229171     -1.011225      4.730231
  H      -2.985091     -0.968229      4.547494
  H      -0.880109     -0.044089      2.511656
  H      -2.561234      0.570024      2.459890
  H      -3.475388     -1.750077      2.431775
  H      -1.820109     -2.426921      2.483804
  H      -5.630798      1.209915      0.150822
  H      -4.752991     -0.011450     -4.253701
  H      -3.058261     -1.570240     -5.259244
  H      -1.473433     -2.743076     -3.734877
  H      -6.379347      0.219910      5.647144
  H      -6.749936      0.411336      7.367601
  H      -4.514577     -1.484569      6.485116
  H      -5.444347     -1.511748      7.990081
  H      -7.522772     -2.095795      6.506467
  H      -6.245711     -3.348512      6.686330
  H      -9.963929     -0.280427      3.933427
  H      -8.557978     -1.486968     -0.327253
  H      -6.536527     -2.781377     -1.145773
  H      -4.866843     -3.623969      0.531696
  N      -4.796097      1.240718      3.908787
  N      -5.520040      0.787609      2.937275
  H      -6.327923      1.367920      2.653811
  H      -5.032505      0.260239      2.190806
99
Coordinates from ORCA-job orca E -6533.002778871451
  N      -3.985659      3.757812      4.997245
  Mo     -3.820716      1.790702      5.263006
  N      -4.831350      1.057930      6.780793
  C      -4.274136      1.223821      8.125009
  C      -3.465467      2.506353      8.188409
  N      -2.569247      2.590850      7.000368
  C      -2.222236      3.995983      6.649471
  C      -3.413416      4.663307      5.977185
  C      -1.347781      1.737725      7.129463
  C      -0.923447      1.293408      5.742344
  N      -2.118857      0.834991      5.040244
  H      -3.090091      5.587851      5.481799
  H      -4.170143      4.960345      6.722515
  H      -1.379818      3.949920      5.940086
  H      -1.895112      4.551063      7.543062
  H      -0.180463      0.479367      5.821190
  H      -0.431293      2.118931      5.200112
  H      -1.614874      0.856225      7.720989
  H      -0.553000      2.279587      7.657103
  H      -5.091546      1.277504      8.871348
  H      -3.645759      0.348512      8.404391
  H      -4.150746      3.370177      8.141524
  H      -2.883164      2.575859      9.122278
  C      -4.957062      4.411825      4.112089
  C      -6.336267      4.689964      4.735977
  C      -7.211540      3.469719      4.964082
  O      -7.525426      2.857488      3.681539
  C      -8.794029      2.781528      3.267191
  N      -9.785575      3.098325      4.054798
  C     -11.036237      2.992854      3.548714
  N     -11.386675      2.630007      2.340551
  C     -10.363742      2.306458      1.507910
  C     -10.632505      1.929255      0.177973
  C      -9.582593      1.619226     -0.641831
  C      -8.276683      1.662734     -0.133211
  N      -7.977447      2.002431      1.112550
  C      -9.010752      2.338052      1.920882
  C      -2.062597     -0.447410      4.305919
  C      -1.925901     -0.304698      2.774784
  C      -2.420604     -1.572055      2.098600
  O      -2.289393     -1.564979      0.655614
  C      -3.184504     -0.890938     -0.038460
  N      -4.113163     -0.146493      0.545910
  C      -4.981424      0.520075     -0.255332
  N      -5.066315      0.483930     -1.554337
  C      -4.137584     -0.310816     -2.171741
  C      -4.150649     -0.444380     -3.562180
  C      -3.184785     -1.238608     -4.152227
  C      -2.218643     -1.892864     -3.350964
  N      -2.181263     -1.801256     -2.042045
  C      -3.128951     -1.021744     -1.461443
  C      -5.930704      0.114613      6.705557
  C      -5.506018     -1.339299      6.982936
  C      -6.474105     -2.357851      6.409849
  O      -6.277556     -2.453809      4.968646
  C      -7.189427     -1.957916      4.139930
  N      -8.231075     -1.288432      4.578249
  C      -9.102141     -0.829986      3.648663
  N      -9.038460     -0.978472      2.346334
  C      -7.961114     -1.668397      1.879957
  C      -7.793946     -1.886140      0.496642
  C      -6.699956     -2.581100      0.060750
  C      -5.773145     -3.044023      1.002986
  N      -5.888676     -2.857354      2.305080
  C      -6.971554     -2.187692      2.738083
  H      -4.525090      5.364487      3.784663
  H      -5.092664      3.796813      3.225673
  H      -6.209672      5.196139      5.699553
  H      -6.883300      5.391189      4.087220
  H      -8.152677      3.728674      5.460161
  H      -6.691424      2.697888      5.548097
  H     -11.832642      3.249694      4.235673
  H     -11.662352      1.900388     -0.157554
  H      -9.736953      1.335181     -1.678208
  H      -7.450336      1.409699     -0.794050
  H      -1.234222     -1.056100      4.717622
  H      -2.984693     -1.013626      4.508187
  H      -0.895438     -0.104140      2.480780
  H      -2.535062      0.545375      2.461949
  H      -3.478149     -1.764447      2.362803
  H      -1.824339     -2.440877      2.387306
  H      -5.687722      1.168751      0.267639
  H      -4.920561      0.086859     -4.128076
  H      -3.153287     -1.368340     -5.222020
  H      -1.444795     -2.522430     -3.813269
  H      -6.372686      0.193181      5.705723
  H      -6.713101      0.402097      7.425473
  H      -4.513821     -1.516914      6.545154
  H      -5.412941     -1.521715      8.070659
  H      -7.517672     -2.105831      6.621525
  H      -6.254326     -3.365380      6.783622
  H      -9.947776     -0.262166      4.044426
  H      -8.536437     -1.495974     -0.183797
  H      -6.532902     -2.768771     -0.996803
  H      -4.893378     -3.584625      0.666571
  N      -4.790012      1.185406      3.922261
  N      -5.490632      0.727474      2.939903
  H      -6.315230      1.309409      2.632140
  H      -4.953386      0.178994      2.199903
99
Coordinates from ORCA-job orca E -6533.004504136618
  N      -3.990880      3.765126      5.005065
  Mo     -3.828072      1.808928      5.263723
  N      -4.840332      1.063421      6.775687
  C      -4.282727      1.222398      8.122180
  C      -3.471372      2.507418      8.196860
  N      -2.574060      2.605268      7.010515
  C      -2.226973      4.011058      6.671089
  C      -3.417662      4.674752      6.002141
  C      -1.352907      1.758215      7.135981
  C      -0.928743      1.322031      5.736350
  N      -2.124200      0.853368      5.031632
  H      -3.089237      5.609163      5.511523
  H      -4.177527      4.965942      6.754167
  H      -1.385226      3.974817      5.962452
  H      -1.899214      4.561625      7.569369
  H      -0.182842      0.512548      5.811668
  H      -0.440499      2.154896      5.193967
  H      -1.619715      0.867367      7.725484
  H      -0.556656      2.306408      7.671240
  H      -5.099326      1.268852      8.868684
  H      -3.654747      0.349732      8.395910
  H      -4.156832      3.367541      8.159102
  H      -2.888963      2.570123      9.132437
  C      -4.958345      4.431857      4.121533
  C      -6.328924      4.710147      4.764459
  C      -7.191428      3.476142      4.992193
  O      -7.501255      2.865606      3.696717
  C      -8.781634      2.795946      3.299236
  N      -9.768126      3.119248      4.108819
  C     -11.032390      3.021174      3.620151
  N     -11.399996      2.650758      2.412252
  C     -10.382090      2.321031      1.559216
  C     -10.672589      1.932584      0.229100
  C      -9.627793      1.617918     -0.608006
  C      -8.306592      1.673768     -0.113319
  N      -7.986050      2.022596      1.129254
  C      -9.014589      2.354692      1.950990
  C      -2.059858     -0.428056      4.315564
  C      -1.916745     -0.288379      2.789988
  C      -2.400291     -1.581927      2.126884
  O      -2.258792     -1.580467      0.681735
  C      -3.161729     -0.904704     -0.032679
  N      -4.112038     -0.146845      0.536972
  C      -4.982831      0.515503     -0.283830
  N      -5.054807      0.461527     -1.592325
  C      -4.108553     -0.346476     -2.199589
  C      -4.112006     -0.504133     -3.603664
  C      -3.124342     -1.309628     -4.177805
  C      -2.148088     -1.952859     -3.349455
  N      -2.123536     -1.841505     -2.029796
  C      -3.091206     -1.050796     -1.464244
  C      -5.944355      0.112673      6.688938
  C      -5.505130     -1.341893      6.955020
  C      -6.460250     -2.370479      6.372457
  O      -6.257652     -2.468776      4.931081
  C      -7.175239     -1.964961      4.101613
  N      -8.220221     -1.279586      4.553519
  C      -9.109939     -0.809068      3.633968
  N      -9.071592     -0.954863      2.326233
  C      -7.990116     -1.665658      1.842570
  C      -7.848319     -1.886628      0.452032
  C      -6.750878     -2.607603     -0.000778
  C      -5.795306     -3.089343      0.932669
  N      -5.885364     -2.899742      2.241618
  C      -6.972669     -2.204641      2.691530
  H      -4.519306      5.399880      3.801413
  H      -5.096849      3.817705      3.215940
  H      -6.195441      5.213557      5.740471
  H      -6.880257      5.419005      4.121335
  H      -8.128904      3.727053      5.501133
  H      -6.663337      2.700507      5.573617
  H     -11.826692      3.285360      4.324704
  H     -11.713755      1.897541     -0.092855
  H      -9.798558      1.322270     -1.645746
  H      -7.484857      1.417018     -0.786475
  H      -1.229574     -1.023691      4.725825
  H      -2.977577     -1.000263      4.530765
  H      -0.872340     -0.068793      2.496042
  H      -2.542487      0.561352      2.467219
  H      -3.463108     -1.788194      2.383947
  H      -1.789185     -2.449181      2.430680
  H      -5.702810      1.168958      0.233063
  H      -4.892543      0.017291     -4.191748
  H      -3.084593     -1.457331     -5.256530
  H      -1.358049     -2.591004     -3.797182
  H      -6.383123      0.184034      5.683893
  H      -6.741100      0.396684      7.407489
  H      -4.504211     -1.507539      6.520908
  H      -5.416410     -1.530762      8.036668
  H      -7.510392     -2.126354      6.577840
  H      -6.230277     -3.377849      6.747641
  H      -9.958280     -0.237271      4.045962
  H      -8.613481     -1.482052     -0.220482
  H      -6.603440     -2.799540     -1.063367
  H      -4.913355     -3.648454      0.582295
  N      -4.797936      1.220837      3.907784
  N      -5.502527      0.750193      2.921042
  H      -6.309783      1.289211      2.609353
  H      -4.971285      0.221023      2.193126
99
Coordinates from ORCA-job orca E -6533.004081824700
  N      -3.988052      3.785963      5.025031
  Mo     -3.827270      1.841954      5.260168
  N      -4.844708      1.082116      6.756413
  C      -4.292841      1.227896      8.103838
  C      -3.480816      2.513392      8.197454
  N      -2.584069      2.623576      7.019450
  C      -2.233926      4.028729      6.698265
  C      -3.417657      4.694121      6.034238
  C      -1.369502      1.780445      7.140359
  C      -0.936226      1.345337      5.738182
  N      -2.125003      0.880615      5.031143
  H      -3.085158      5.636422      5.553860
  H      -4.178274      4.978514      6.789638
  H      -1.394935      4.000286      5.995866
  H      -1.907924      4.570722      7.603087
  H      -0.197104      0.535738      5.816316
  H      -0.444107      2.174137      5.200506
  H      -1.639868      0.886994      7.721415
  H      -0.577717      2.328276      7.685871
  H      -5.107759      1.263420      8.842811
  H      -3.670070      0.358943      8.367335
  H      -4.161310      3.367999      8.167060
  H      -2.900837      2.568417      9.133191
  C      -4.956912      4.448767      4.143721
  C      -6.321629      4.722524      4.797293
  C      -7.157208      3.483062      5.041340
  O      -7.455999      2.862643      3.749497
  C      -8.745676      2.782302      3.369107
  N      -9.725482      3.102820      4.200002
  C     -11.005165      2.994977      3.735589
  N     -11.393789      2.616300      2.530610
  C     -10.383149      2.291355      1.654715
  C     -10.694097      1.895333      0.327371
  C      -9.654630      1.585992     -0.530776
  C      -8.316827      1.655292     -0.057124
  N      -7.982271      2.009837      1.179999
  C      -9.001087      2.337122      2.022051
  C      -2.058959     -0.390792      4.323708
  C      -1.933845     -0.272506      2.807718
  C      -2.446780     -1.554384      2.184020
  O      -2.336432     -1.596006      0.731770
  C      -3.201626     -0.925376     -0.017096
  N      -4.091522     -0.127979      0.520739
  C      -4.902164      0.543823     -0.334699
  N      -4.942517      0.471382     -1.652839
  C      -4.051713     -0.383025     -2.229225
  C      -4.023567     -0.565194     -3.643291
  C      -3.122618     -1.427881     -4.182583
  C      -2.251996     -2.100781     -3.315427
  N      -2.240526     -1.957525     -1.987421
  C      -3.129502     -1.112870     -1.452820
  C      -5.950357      0.127177      6.649471
  C      -5.518014     -1.327034      6.899773
  C      -6.465931     -2.352711      6.297288
  O      -6.253990     -2.446554      4.857183
  C      -7.173520     -1.956549      4.018674
  N      -8.225296     -1.298489      4.461032
  C      -9.110411     -0.844596      3.533476
  N      -9.062012     -0.984642      2.222232
  C      -7.976455     -1.667075      1.747183
  C      -7.824401     -1.882144      0.354236
  C      -6.720689     -2.576174     -0.090818
  C      -5.771370     -3.038706      0.854113
  N      -5.872640     -2.853444      2.167926
  C      -6.963658     -2.184684      2.609506
  H      -4.528899      5.418869      3.817933
  H      -5.092383      3.828271      3.240072
  H      -6.187720      5.234083      5.769598
  H      -6.883905      5.419438      4.155849
  H      -8.094734      3.721837      5.556319
  H      -6.615954      2.724821      5.622443
  H     -11.793498      3.257035      4.459114
  H     -11.746171      1.849215      0.021823
  H      -9.845918      1.285326     -1.566456
  H      -7.492002      1.402371     -0.734772
  H      -1.227736     -0.982684      4.731917
  H      -2.979745     -0.953571      4.550372
  H      -0.901784     -0.060649      2.516029
  H      -2.554398      0.554668      2.466306
  H      -3.484857     -1.721499      2.457320
  H      -1.859084     -2.416707      2.511183
  H      -5.606531      1.220136      0.155049
  H      -4.717703     -0.018065     -4.260539
  H      -3.069752     -1.600726     -5.267415
  H      -1.534174     -2.787223     -3.733360
  H      -6.379276      0.209477      5.645022
  H      -6.753359      0.397685      7.365662
  H      -4.511703     -1.486506      6.473274
  H      -5.441810     -1.526844      7.977163
  H      -7.523107     -2.116859      6.494493
  H      -6.233590     -3.360747      6.668116
  H      -9.961853     -0.296926      3.938678
  H      -8.586300     -1.494861     -0.327512
  H      -6.563971     -2.766306     -1.155600
  H      -4.884801     -3.580403      0.509745
  N      -4.796802      1.258108      3.894712
  N      -5.507182      0.798159      2.912720
  H      -6.314327      1.351234      2.614964
  H      -5.001596      0.288598      2.176871
99
Coordinates from ORCA-job orca E -6533.004388135931
  N      -3.973477      3.773435      5.000875
  Mo     -3.826825      1.816246      5.255351
  N      -4.845314      1.080480      6.761923
  C      -4.293361      1.230997      8.106588
  C      -3.472437      2.510447      8.181741
  N      -2.579080      2.598582      7.000103
  C      -2.218685      3.999908      6.659947
  C      -3.396923      4.676983      5.987752
  C      -1.369841      1.745417      7.121538
  C      -0.944540      1.307731      5.728745
  N      -2.131340      0.853521      5.026493
  H      -3.060824      5.603469      5.496898
  H      -4.151325      4.979050      6.732673
  H      -1.379536      3.952040      5.955787
  H      -1.888159      4.548612      7.556457
  H      -0.210212      0.495041      5.803765
  H      -0.452523      2.131438      5.195259
  H      -1.640965      0.857958      7.701001
  H      -0.576413      2.284370      7.659546
  H      -5.108715      1.282796      8.846341
  H      -3.677479      0.353707      8.379892
  H      -4.147079      3.373623      8.140159
  H      -2.891119      2.572506      9.114261
  C      -4.943294      4.423729      4.115552
  C      -6.307307      4.723372      4.751242
  C      -7.161282      3.518855      5.025220
  O      -7.483712      2.878957      3.771518
  C      -8.768095      2.791999      3.386660
  N      -9.743831      3.128181      4.206838
  C     -11.018685      3.019372      3.740782
  N     -11.405641      2.636701      2.539521
  C     -10.399667      2.296856      1.671727
  C     -10.709046      1.903617      0.347160
  C      -9.676348      1.577613     -0.508615
  C      -8.345204      1.622219     -0.036715
  N      -8.010169      1.976502      1.199874
  C      -9.024085      2.329424      2.043189
  C      -2.056876     -0.418825      4.307404
  C      -1.908969     -0.267056      2.779777
  C      -2.393183     -1.571048      2.143302
  O      -2.275790     -1.579449      0.697740
  C      -3.180179     -0.923077     -0.026444
  N      -4.117496     -0.166464      0.529468
  C      -4.967579      0.488412     -0.307002
  N      -5.009179      0.436472     -1.619162
  C      -4.067172     -0.370872     -2.209520
  C      -4.024805     -0.520803     -3.615540
  C      -3.050529     -1.325805     -4.170684
  C      -2.125179     -1.974309     -3.325625
  N      -2.131120     -1.863422     -2.004845
  C      -3.090907     -1.075238     -1.455678
  C      -5.957735      0.152421      6.664466
  C      -5.554318     -1.301705      6.934027
  C      -6.513436     -2.315991      6.335701
  O      -6.297568     -2.434304      4.891718
  C      -7.210858     -1.957123      4.040920
  N      -8.264073     -1.296543      4.469031
  C      -9.138367     -0.857633      3.530822
  N      -9.072582     -1.012890      2.223320
  C      -7.986059     -1.694386      1.761248
  C      -7.815163     -1.916704      0.371840
  C      -6.710722     -2.603732     -0.060562
  C      -5.779512     -3.057181      0.892851
  N      -5.897838     -2.865171      2.204057
  C      -6.988798     -2.199976      2.633558
  H      -4.517532      5.367039      3.770672
  H      -5.085024      3.795797      3.244238
  H      -6.168297      5.251653      5.692810
  H      -6.865903      5.403551      4.100289
  H      -8.096388      3.785015      5.530403
  H      -6.626174      2.774633      5.611403
  H     -11.801867      3.297493      4.456571
  H     -11.755142      1.875031      0.040716
  H      -9.867340      1.282473     -1.541470
  H      -7.525638      1.356013     -0.714505
  H      -1.222718     -1.013895      4.716607
  H      -2.973936     -0.996186      4.521084
  H      -0.848094     -0.035967      2.479622
  H      -2.556178      0.591180      2.440639
  H      -3.445442     -1.780358      2.414955
  H      -1.766525     -2.431027      2.452379
  H      -5.685443      1.145328      0.193283
  H      -4.757943      0.008762     -4.216162
  H      -2.979721     -1.468968     -5.249852
  H      -1.344534     -2.612384     -3.757293
  H      -6.383083      0.239989      5.658439
  H      -6.749898      0.440716      7.375311
  H      -4.554544     -1.484736      6.513951
  H      -5.485911     -1.488592      8.017627
  H      -7.560967     -2.059472      6.523949
  H      -6.300773     -3.320345      6.720059
  H      -9.991932     -0.302789      3.922776
  H      -8.563186     -1.535918     -0.317596
  H      -6.539800     -2.797039     -1.123695
  H      -4.893608     -3.595737      0.557006
  N      -4.813036      1.217505      3.913008
  N      -5.531807      0.758728      2.949084
  H      -6.347590      1.376859      2.654544
  H      -5.033681      0.218651      2.201728
99
Coordinates from ORCA-job orca E -6533.003427976468
  N      -3.990344      3.760327      4.997717
  Mo     -3.823474      1.803862      5.250229
  N      -4.837674      1.060532      6.760565
  C      -4.285976      1.222765      8.108203
  C      -3.478116      2.505767      8.185302
  N      -2.578873      2.600018      7.003123
  C      -2.229554      4.003579      6.664277
  C      -3.417424      4.668731      5.991695
  C      -1.360300      1.749400      7.137224
  C      -0.926078      1.308615      5.743931
  N      -2.118903      0.845915      5.027884
  H      -3.086450      5.598941      5.501035
  H      -4.177684      4.964337      6.740429
  H      -1.385183      3.963634      5.957817
  H      -1.903339      4.554356      7.563297
  H      -0.185407      0.493906      5.828134
  H      -0.423882      2.139758      5.206015
  H      -1.634792      0.861559      7.725410
  H      -0.565739      2.293486      7.677565
  H      -5.107293      1.271833      8.850103
  H      -3.659602      0.350149      8.387755
  H      -4.163792      3.366335      8.142956
  H      -2.899558      2.571216      9.123409
  C      -4.958734      4.426024      4.115516
  C      -6.332692      4.709026      4.753668
  C      -7.210412      3.481245      4.991484
  O      -7.535329      2.859825      3.705164
  C      -8.807440      2.786730      3.300383
  N      -9.797230      3.108652      4.090452
  C     -11.047767      3.011076      3.588419
  N     -11.400591      2.651310      2.384296
  C     -10.380195      2.324897      1.551370
  C     -10.652437      1.956263      0.226074
  C      -9.605471      1.645899     -0.593999
  C      -8.299136      1.681272     -0.088632
  N      -7.994834      2.014036      1.152351
  C      -9.026731      2.348395      1.958291
  C      -2.059994     -0.434069      4.304327
  C      -1.911600     -0.302806      2.784759
  C      -2.402446     -1.570532      2.109255
  O      -2.260297     -1.570235      0.664565
  C      -3.159412     -0.897687     -0.045728
  N      -4.103615     -0.144833      0.525249
  C      -4.981433      0.510460     -0.292881
  N      -5.064059      0.458621     -1.596289
  C      -4.121862     -0.342031     -2.203114
  C      -4.130602     -0.493315     -3.600614
  C      -3.145505     -1.291126     -4.176964
  C      -2.165445     -1.931328     -3.354573
  N      -2.133261     -1.824495     -2.040197
  C      -3.098512     -1.041690     -1.473536
  C      -5.937813      0.111838      6.682647
  C      -5.503574     -1.342483      6.960691
  C      -6.463551     -2.367612      6.388854
  O      -6.259526     -2.469453      4.950226
  C      -7.174206     -1.972263      4.122279
  N      -8.217366     -1.288852      4.566046
  C      -9.100440     -0.822390      3.641392
  N      -9.053006     -0.970912      2.336666
  C      -7.971884     -1.676586      1.864255
  C      -7.819113     -1.891910      0.477212
  C      -6.722343     -2.604928      0.033830
  C      -5.778635     -3.090560      0.975557
  N      -5.879234     -2.905098      2.280928
  C      -6.964958     -2.212993      2.719221
  H      -4.517594      5.389519      3.791625
  H      -5.099513      3.811285      3.214209
  H      -6.198061      5.220089      5.723450
  H      -6.881187      5.415456      4.103798
  H      -8.145799      3.743996      5.497118
  H      -6.684967      2.704108      5.578172
  H     -11.842387      3.273706      4.275597
  H     -11.682764      1.934495     -0.105931
  H      -9.762390      1.368860     -1.626902
  H      -7.476600      1.425355     -0.751789
  H      -1.233970     -1.041346      4.716722
  H      -2.984119     -0.996297      4.510622
  H      -0.892928     -0.106247      2.512149
  H      -2.506362      0.529874      2.462929
  H      -3.459882     -1.759343      2.360259
  H      -1.811323     -2.437318      2.411432
  H      -5.686105      1.165926      0.221406
  H      -4.909927      0.027979     -4.184600
  H      -3.109461     -1.433752     -5.251050
  H      -1.377550     -2.562494     -3.805225
  H      -6.378177      0.183291      5.682022
  H      -6.725711      0.398988      7.399965
  H      -4.506217     -1.514154      6.525657
  H      -5.413477     -1.524751      8.045896
  H      -7.508968     -2.117267      6.594972
  H      -6.241910     -3.372572      6.767222
  H      -9.947416     -0.249987      4.044994
  H      -8.574964     -1.485578     -0.201520
  H      -6.566618     -2.791229     -1.027241
  H      -4.898050     -3.648177      0.634104
  N      -4.794250      1.214233      3.902880
  N      -5.499110      0.749249      2.917074
  H      -6.307316      1.308963      2.596576
  H      -4.960984      0.217092      2.186245
99
Coordinates from ORCA-job orca E -6533.004332825679
  N      -3.973692      3.790240      5.020666
  Mo     -3.814401      1.828193      5.270345
  N      -4.847263      1.075479      6.770353
  C      -4.307445      1.223564      8.130449
  C      -3.490924      2.506049      8.220279
  N      -2.576759      2.609454      7.041822
  C      -2.218836      4.016624      6.713811
  C      -3.402547      4.691207      6.029691
  C      -1.356834      1.755480      7.180204
  C      -0.915487      1.329844      5.780043
  N      -2.111717      0.870324      5.050998
  H      -3.060448      5.627520      5.544756
  H      -4.171662      4.982873      6.775836
  H      -1.363563      3.982541      6.013910
  H      -1.900321      4.558637      7.622008
  H      -0.171062      0.515201      5.864984
  H      -0.411188      2.169190      5.246547
  H      -1.637874      0.858034      7.762347
  H      -0.558793      2.294335      7.732964
  H      -5.140179      1.269273      8.867380
  H      -3.683743      0.345645      8.412828
  H      -4.178035      3.369091      8.177947
  H      -2.918198      2.561651      9.166488
  C      -4.930295      4.467350      4.130186
  C      -6.299125      4.759255      4.766759
  C      -7.160877      3.527677      5.002387
  O      -7.466586      2.911800      3.712904
  C      -8.750404      2.824398      3.322778
  N      -9.733515      3.158486      4.133184
  C     -11.006138      3.031570      3.653986
  N     -11.386590      2.616141      2.453318
  C     -10.372306      2.275076      1.597571
  C     -10.678203      1.834584      0.271826
  C      -9.638058      1.508551     -0.570167
  C      -8.305428      1.605522     -0.085849
  N      -7.970387      2.001173      1.151800
  C      -8.994468      2.343665      1.980065
  C      -2.049192     -0.411800      4.315268
  C      -1.918434     -0.272659      2.778286
  C      -2.419051     -1.560218      2.133383
  O      -2.302618     -1.580718      0.685436
  C      -3.189412     -0.904204     -0.028126
  N      -4.095657     -0.127827      0.542543
  C      -4.944780      0.546384     -0.274343
  N      -5.019842      0.495967     -1.579618
  C      -4.115883     -0.332239     -2.187686
  C      -4.125962     -0.487446     -3.587318
  C      -3.204957     -1.326795     -4.163426
  C      -2.282379     -2.002450     -3.339943
  N      -2.240002     -1.885620     -2.024220
  C      -3.144128     -1.063189     -1.457068
  C      -5.961182      0.129525      6.658588
  C      -5.530432     -1.327399      6.920246
  C      -6.475451     -2.349580      6.313448
  O      -6.253132     -2.443564      4.875605
  C      -7.169957     -1.953434      4.036301
  N      -8.221482     -1.281428      4.478555
  C      -9.108556     -0.833440      3.552362
  N      -9.061656     -0.995603      2.248386
  C      -7.975183     -1.691502      1.773065
  C      -7.822314     -1.931073      0.387932
  C      -6.716442     -2.637184     -0.054664
  C      -5.768134     -3.090746      0.883882
  N      -5.870444     -2.884665      2.187512
  C      -6.961378     -2.200280      2.628377
  H      -4.476889      5.433798      3.810888
  H      -5.073461      3.854212      3.222409
  H      -6.163216      5.267572      5.740591
  H      -6.849307      5.466851      4.120074
  H      -8.098786      3.777807      5.510780
  H      -6.628370      2.755562      5.584053
  H     -11.797173      3.306151      4.360148
  H     -11.728422      1.768473     -0.042158
  H      -9.822216      1.171582     -1.604799
  H      -7.485449      1.337796     -0.760879
  H      -1.212237     -1.018713      4.721407
  H      -2.966814     -0.981995      4.528454
  H      -0.872248     -0.061813      2.472867
  H      -2.549424      0.576130      2.447366
  H      -3.471356     -1.752020      2.406328
  H      -1.816648     -2.424045      2.444183
  H      -5.653188      1.203774      0.243312
  H      -4.863458      0.059613     -4.170692
  H      -3.177802     -1.478092     -5.238988
  H      -1.550731     -2.670697     -3.788950
  H      -6.384500      0.205684      5.641792
  H      -6.774032      0.413435      7.370607
  H      -4.521558     -1.492584      6.501084
  H      -5.462201     -1.522907      8.000029
  H      -7.530041     -2.105425      6.504274
  H      -6.251324     -3.358649      6.684270
  H      -9.959652     -0.271866      3.957266
  H      -8.583618     -1.553870     -0.287780
  H      -6.559055     -2.843316     -1.112038
  H      -4.882918     -3.644093      0.542969
  N      -4.778172      1.243039      3.907883
  N      -5.471318      0.759771      2.915779
  H      -6.262513      1.273164      2.592308
  H      -4.928700      0.239513      2.190812
99
Coordinates from ORCA-job orca E -6533.003897447375
  N      -3.989508      3.774496      5.004668
  Mo     -3.840149      1.831406      5.243719
  N      -4.854110      1.083797      6.744178
  C      -4.300063      1.234319      8.085143
  C      -3.483242      2.517150      8.170047
  N      -2.593071      2.613896      6.991388
  C      -2.235439      4.013539      6.660183
  C      -3.411077      4.683996      5.999084
  C      -1.386820      1.766970      7.107520
  C      -0.959704      1.324476      5.712016
  N      -2.141639      0.866271      5.013729
  H      -3.074067      5.614785      5.510799
  H      -4.162671      4.984872      6.750222
  H      -1.403453      3.973468      5.956845
  H      -1.902431      4.560038      7.557409
  H      -0.227299      0.513246      5.788202
  H      -0.471399      2.142176      5.175610
  H      -1.653913      0.880905      7.686733
  H      -0.598191      2.311200      7.643684
  H      -5.108605      1.277990      8.823105
  H      -3.684340      0.364586      8.349729
  H      -4.157521      3.373940      8.137537
  H      -2.901574      2.575960      9.100106
  C      -4.958529      4.435542      4.127422
  C      -6.312527      4.725146      4.792475
  C      -7.145300      3.490252      5.061383
  O      -7.460048      2.858137      3.776095
  C      -8.755217      2.780288      3.412554
  N      -9.725983      3.107525      4.256826
  C     -11.010299      3.009834      3.808689
  N     -11.410401      2.641339      2.607757
  C     -10.409151      2.310921      1.718993
  C     -10.730849      1.929950      0.396162
  C      -9.699949      1.614608     -0.473172
  C      -8.360099      1.660409     -0.013271
  N      -8.015702      2.002823      1.219115
  C      -9.025381      2.339677      2.069826
  C      -2.061648     -0.397112      4.314002
  C      -1.921775     -0.270115      2.801508
  C      -2.412226     -1.570646      2.178545
  O      -2.292595     -1.599321      0.728830
  C      -3.173717     -0.941166     -0.021172
  N      -4.098605     -0.162611      0.513272
  C      -4.919840      0.494291     -0.349922
  N      -4.940668      0.424146     -1.671634
  C      -4.010445     -0.407290     -2.243919
  C      -3.952152     -0.582014     -3.662049
  C      -3.005013     -1.419552     -4.194692
  C      -2.119033     -2.075153     -3.317422
  N      -2.138044     -1.938833     -1.986022
  C      -3.072024     -1.119089     -1.457983
  C      -5.962898      0.139837      6.645500
  C      -5.542291     -1.315089      6.903815
  C      -6.496700     -2.339841      6.307865
  O      -6.285074     -2.436043      4.867561
  C      -7.205860     -1.959941      4.023192
  N      -8.264117     -1.311688      4.453885
  C      -9.144852     -0.867963      3.517477
  N      -9.084363     -1.007713      2.206229
  C      -7.991694     -1.676987      1.743772
  C      -7.824133     -1.881584      0.351093
  C      -6.711993     -2.555528     -0.083637
  C      -5.771299     -3.013141      0.872307
  N      -5.887070     -2.838329      2.187589
  C      -6.984797     -2.185816      2.617802
  H      -4.530734      5.393721      3.787913
  H      -5.104948      3.808308      3.235885
  H      -6.167502      5.250321      5.754613
  H      -6.880729      5.413975      4.149532
  H      -8.076466      3.737286      5.584483
  H      -6.596793      2.737497      5.643293
  H     -11.791097      3.277614      4.542599
  H     -11.783252      1.900368      0.101511
  H      -9.900715      1.326530     -1.505640
  H      -7.543323      1.401466     -0.698833
  H      -1.230244     -0.975131      4.722221
  H      -2.977658     -0.970931      4.541014
  H      -0.870977     -0.038331      2.510557
  H      -2.561547      0.564599      2.450515
  H      -3.455093     -1.763373      2.448401
  H      -1.801432     -2.427223      2.504643
  H      -5.648650      1.156964      0.136697
  H      -4.658166     -0.047944     -4.289232
  H      -2.926570     -1.584307     -5.281802
  H      -1.362919     -2.740626     -3.729560
  H      -6.391358      0.222749      5.645524
  H      -6.756505      0.417817      7.358901
  H      -4.538338     -1.481230      6.477043
  H      -5.465534     -1.510559      7.983540
  H      -7.553344     -2.101719      6.505235
  H      -6.266562     -3.348008      6.682690
  H     -10.001696     -0.324090      3.912324
  H      -8.580675     -1.497607     -0.340020
  H      -6.542174     -2.734752     -1.148952
  H      -4.879633     -3.540497      0.534871
  N      -4.822482      1.250655      3.886653
  N      -5.546222      0.797372      2.915308
  H      -6.362802      1.401350      2.616046
  H      -5.047399      0.278453      2.179541
99
Coordinates from ORCA-job orca E -6533.004856547785
  N      -3.965203      3.775914      4.981844
  Mo     -3.825202      1.812801      5.248302
  N      -4.858458      1.090368      6.757020
  C      -4.318338      1.250684      8.108625
  C      -3.492351      2.526334      8.180033
  N      -2.585521      2.598309      7.001885
  C      -2.210201      3.996010      6.650943
  C      -3.383114      4.680426      5.964725
  C      -1.383377      1.727270      7.149248
  C      -0.945311      1.275921      5.763762
  N      -2.136303      0.833579      5.040869
  H      -3.036171      5.600564      5.467261
  H      -4.139995      4.992622      6.705810
  H      -1.362967      3.936687      5.950991
  H      -1.882233      4.546990      7.547940
  H      -0.217432      0.453551      5.858612
  H      -0.430391      2.093033      5.226786
  H      -1.677295      0.846212      7.737334
  H      -0.581976      2.255727      7.693449
  H      -5.144612      1.313517      8.841608
  H      -3.705983      0.371754      8.398817
  H      -4.165476      3.393930      8.127566
  H      -2.916751      2.589543      9.118146
  C      -4.928045      4.424702      4.086965
  C      -6.298882      4.740748      4.706632
  C      -7.168461      3.551281      5.000335
  O      -7.486703      2.895161      3.762733
  C      -8.768732      2.792748      3.379739
  N      -9.748788      3.134132      4.188013
  C     -11.018910      3.018390      3.715731
  N     -11.398425      2.625332      2.520198
  C     -10.389188      2.280428      1.665121
  C     -10.691716      1.879660      0.346193
  C      -9.655478      1.555893     -0.498769
  C      -8.329244      1.609542     -0.021370
  N      -7.999048      1.969133      1.210175
  C      -9.017610      2.318460      2.042870
  C      -2.079134     -0.441770      4.323101
  C      -1.925819     -0.305748      2.802381
  C      -2.428958     -1.563637      2.125130
  O      -2.274193     -1.558006      0.682225
  C      -3.152060     -0.879314     -0.035000
  N      -4.080537     -0.125663      0.532975
  C      -4.937576      0.536219     -0.288298
  N      -5.005172      0.489999     -1.597168
  C      -4.074273     -0.314415     -2.201515
  C      -4.070287     -0.465719     -3.604645
  C      -3.107140     -1.270864     -4.174833
  C      -2.158176     -1.919853     -3.345908
  N      -2.136040     -1.812061     -2.027084
  C      -3.081049     -1.021694     -1.464183
  C      -5.968333      0.153783      6.660633
  C      -5.542457     -1.301050      6.946054
  C      -6.489226     -2.337697      6.351464
  O      -6.265632     -2.460263      4.908057
  C      -7.180315     -1.980450      4.057471
  N      -8.235537     -1.304026      4.492529
  C      -9.121364     -0.856715      3.558401
  N      -9.066779     -1.015505      2.247948
  C      -7.974394     -1.712719      1.778356
  C      -7.812956     -1.939230      0.384868
  C      -6.705646     -2.647907     -0.054259
  C      -5.760152     -3.118485      0.896692
  N      -5.866724     -2.918807      2.210420
  C      -6.961693     -2.231266      2.645997
  H      -4.488119      5.358292      3.735141
  H      -5.072249      3.791565      3.222727
  H      -6.163115      5.284095      5.635389
  H      -6.847276      5.407618      4.039669
  H      -8.105669      3.830007      5.491698
  H      -6.644499      2.819800      5.601622
  H     -11.805404      3.299234      4.420073
  H     -11.734727      1.844303      0.035427
  H      -9.838953      1.254113     -1.526586
  H      -7.510296      1.343588     -0.694421
  H      -1.257750     -1.051408      4.740518
  H      -3.006787     -1.002210      4.524886
  H      -0.896848     -0.123369      2.528685
  H      -2.512432      0.543850      2.475341
  H      -3.484342     -1.739482      2.369225
  H      -1.849544     -2.436805      2.430124
  H      -5.644088      1.187632      0.224449
  H      -4.825796      0.060647     -4.191990
  H      -3.063878     -1.414217     -5.252550
  H      -1.386690     -2.558848     -3.790141
  H      -6.392567      0.222978      5.648715
  H      -6.769284      0.449797      7.365472
  H      -4.535702     -1.474990      6.530738
  H      -5.472984     -1.478934      8.032314
  H      -7.541597     -2.087423      6.531741
  H      -6.266294     -3.341778      6.744539
  H      -9.979732     -0.293997      3.959066
  H      -8.573063     -1.546647     -0.302074
  H      -6.542387     -2.843920     -1.120793
  H      -4.873809     -3.678661      0.556413
  N      -4.802970      1.221419      3.900114
  N      -5.513144      0.755654      2.929110
  H      -6.326054      1.366200      2.616136
  H      -5.004627      0.223762      2.187092
99
Coordinates from ORCA-job orca E -6533.002823745854
  N      -3.991708      3.768809      5.012321
  Mo     -3.822439      1.811022      5.251104
  N      -4.840583      1.057546      6.755163
  C      -4.293237      1.210972      8.105900
  C      -3.485624      2.493313      8.194732
  N      -2.582217      2.597552      7.016918
  C      -2.231003      4.001984      6.690911
  C      -3.417213      4.670347      6.017936
  C      -1.363780      1.746954      7.151396
  C      -0.923507      1.321069      5.753233
  N      -2.114503      0.858449      5.024687
  H      -3.080160      5.605186      5.534032
  H      -4.180135      4.961487      6.767071
  H      -1.382951      3.969358      5.987713
  H      -1.907904      4.545061      7.596261
  H      -0.180816      0.508236      5.834337
  H      -0.418943      2.160935      5.223412
  H      -1.642385      0.851485      7.732090
  H      -0.568667      2.287732      7.703258
  H      -5.118770      1.255903      8.844899
  H      -3.668408      0.336516      8.383573
  H      -4.173123      3.352909      8.157063
  H      -2.909231      2.551652      9.135858
  C      -4.953774      4.449763      4.131147
  C      -6.323477      4.739380      4.773053
  C      -7.203168      3.508258      5.010524
  O      -7.532146      2.886166      3.721176
  C      -8.806193      2.803429      3.322784
  N      -9.791587      3.126389      4.116267
  C     -11.045266      3.014913      3.620848
  N     -11.407315      2.636012      2.420335
  C     -10.391421      2.306834      1.583331
  C     -10.674871      1.914532      0.259241
  C      -9.632329      1.602714     -0.567310
  C      -8.319374      1.661379     -0.070018
  N      -8.004492      2.016358      1.169925
  C      -9.033018      2.348719      1.982778
  C      -2.045549     -0.427304      4.287232
  C      -1.898767     -0.285777      2.756403
  C      -2.386059     -1.577230      2.101887
  O      -2.252759     -1.589971      0.657046
  C      -3.158937     -0.921177     -0.058551
  N      -4.092306     -0.155287      0.507863
  C      -4.961661      0.503526     -0.313530
  N      -5.041923      0.449333     -1.616456
  C      -4.111058     -0.363430     -2.219195
  C      -4.115226     -0.517761     -3.616128
  C      -3.146136     -1.333135     -4.187144
  C      -2.185402     -1.986358     -3.360168
  N      -2.153411     -1.873705     -2.047026
  C      -3.103384     -1.074443     -1.485635
  C      -5.943978      0.111634      6.670397
  C      -5.525580     -1.342491      6.937241
  C      -6.489675     -2.347694      6.359759
  O      -6.282200     -2.432856      4.925164
  C      -7.192564     -1.937129      4.097516
  N      -8.240674     -1.274113      4.530362
  C      -9.116007     -0.828431      3.599550
  N      -9.054333     -0.984478      2.301164
  C      -7.968511     -1.667607      1.842611
  C      -7.800930     -1.892821      0.464877
  C      -6.699050     -2.586590      0.037531
  C      -5.766843     -3.039940      0.983383
  N      -5.882218     -2.844628      2.279304
  C      -6.971854     -2.173902      2.703049
  H      -4.500363      5.417184      3.813378
  H      -5.101533      3.841029      3.219256
  H      -6.183985      5.249930      5.746779
  H      -6.871838      5.451862      4.123008
  H      -8.136704      3.771757      5.519724
  H      -6.674685      2.725931      5.596648
  H     -11.835857      3.279348      4.311309
  H     -11.710300      1.876088     -0.066083
  H      -9.798374      1.306176     -1.599958
  H      -7.500797      1.404967     -0.740093
  H      -1.209502     -1.032774      4.696075
  H      -2.962578     -1.003198      4.493868
  H      -0.854922     -0.075418      2.464754
  H      -2.518960      0.562328      2.425324
  H      -3.447134     -1.778607      2.358847
  H      -1.778066     -2.440976      2.416345
  H      -5.657101      1.164873      0.200638
  H      -4.877135      0.013645     -4.205662
  H      -3.108589     -1.479224     -5.260473
  H      -1.411672     -2.631920     -3.806958
  H      -6.380167      0.192948      5.670677
  H      -6.730850      0.395462      7.388837
  H      -4.532188     -1.519013      6.502092
  H      -5.440004     -1.533709      8.019463
  H      -7.530262     -2.094122      6.569600
  H      -6.277190     -3.352446      6.724637
  H      -9.967462     -0.272658      3.991448
  H      -8.549358     -1.512208     -0.217119
  H      -6.531382     -2.782744     -1.014367
  H      -4.883861     -3.584108      0.654903
  N      -4.790714      1.233265      3.897374
  N      -5.487553      0.762955      2.903974
  H      -6.279432      1.279443      2.577443
  H      -4.934938      0.244730      2.173670
99
Coordinates from ORCA-job orca E -6533.006918914645
  N      -3.975585      3.782863      4.997861
  Mo     -3.830350      1.828879      5.240700
  N      -4.858757      1.088473      6.741225
  C      -4.317310      1.242502      8.093088
  C      -3.493411      2.520763      8.174689
  N      -2.588740      2.607779      6.998435
  C      -2.219730      4.006256      6.664315
  C      -3.392634      4.686172      5.993381
  C      -1.382068      1.752560      7.127457
  C      -0.947838      1.307915      5.736622
  N      -2.135140      0.857073      5.023631
  H      -3.046396      5.614039      5.503432
  H      -4.148166      4.993569      6.740538
  H      -1.378530      3.958631      5.961928
  H      -1.888625      4.551679      7.563667
  H      -0.217894      0.488180      5.822928
  H      -0.444277      2.127378      5.200983
  H      -1.657649      0.866774      7.708395
  H      -0.590304      2.291342      7.669217
  H      -5.141290      1.297174      8.827083
  H      -3.704226      0.365030      8.374721
  H      -4.168948      3.385752      8.129010
  H      -2.918638      2.581219      9.113803
  C      -4.938748      4.461146      4.120899
  C      -6.290509      4.763301      4.784662
  C      -7.145448      3.527490      5.045293
  O      -7.479150      2.896132      3.754858
  C      -8.768501      2.818077      3.385252
  N      -9.738800      3.156907      4.213363
  C     -11.016582      3.045546      3.756114
  N     -11.411468      2.649480      2.559720
  C     -10.409918      2.304744      1.686664
  C     -10.729851      1.885738      0.366264
  C      -9.702464      1.548955     -0.490259
  C      -8.367448      1.610598     -0.023782
  N      -8.020344      1.989088      1.209113
  C      -9.031040      2.348250      2.048690
  C      -2.059473     -0.415588      4.316474
  C      -1.913905     -0.293160      2.796170
  C      -2.419481     -1.577838      2.156873
  O      -2.291975     -1.594761      0.709625
  C      -3.180587     -0.927756     -0.020786
  N      -4.111090     -0.158978      0.533264
  C      -4.944924      0.507444     -0.305659
  N      -4.975173      0.460180     -1.617567
  C      -4.041607     -0.357420     -2.207521
  C      -3.994637     -0.504692     -3.613494
  C      -3.045922     -1.332769     -4.169418
  C      -2.150754     -2.005605     -3.322032
  N      -2.156938     -1.893673     -2.000879
  C      -3.090395     -1.082856     -1.452198
  C      -5.969332      0.143147      6.636878
  C      -5.542065     -1.311333      6.910226
  C      -6.487143     -2.341173      6.307834
  O      -6.262961     -2.452037      4.868563
  C      -7.182573     -1.975345      4.023627
  N      -8.237516     -1.306052      4.459484
  C      -9.123356     -0.860443      3.528380
  N      -9.071922     -1.014702      2.221780
  C      -7.980723     -1.704124      1.752684
  C      -7.820102     -1.925121      0.363994
  C      -6.710132     -2.620937     -0.074801
  C      -5.766055     -3.085872      0.872745
  N      -5.873427     -2.895046      2.181144
  C      -6.967952     -2.218567      2.616787
  H      -4.491223      5.426156      3.789543
  H      -5.094740      3.840647      3.215155
  H      -6.136044      5.284017      5.757959
  H      -6.853276      5.470907      4.139844
  H      -8.072530      3.788090      5.571647
  H      -6.599788      2.749844      5.627394
  H     -11.797127      3.325608      4.476635
  H     -11.780380      1.842150      0.066333
  H      -9.901528      1.227680     -1.521546
  H      -7.556322      1.331645     -0.705761
  H      -1.225906     -1.001499      4.728735
  H      -2.978238     -0.984154      4.537867
  H      -0.864031     -0.087505      2.513031
  H      -2.529580      0.549722      2.444796
  H      -3.469121     -1.759155      2.421263
  H      -1.825248     -2.443939      2.476936
  H      -5.682257      1.154950      0.199167
  H      -4.709574      0.040047     -4.217047
  H      -2.976407     -1.476896     -5.248904
  H      -1.397503     -2.664754     -3.754248
  H      -6.392669      0.213034      5.624402
  H      -6.776519      0.431888      7.344062
  H      -4.531231     -1.477152      6.496642
  H      -5.475710     -1.501018      7.991969
  H      -7.544016     -2.095689      6.488057
  H      -6.263538     -3.346977      6.694329
  H      -9.978680     -0.301389      3.927837
  H      -8.579077     -1.539129     -0.319696
  H      -6.546000     -2.810277     -1.136667
  H      -4.878912     -3.633599      0.533647
  N      -4.810143      1.239374      3.887092
  N      -5.529989      0.773459      2.911434
  H      -6.330552      1.352077      2.602355
  H      -5.011425      0.245816      2.175418
99
Coordinates from ORCA-job orca E -6533.005527060841
  N      -3.984699      3.776817      4.991198
  Mo     -3.833233      1.821860      5.248378
  N      -4.865820      1.083737      6.750097
  C      -4.328634      1.243330      8.103953
  C      -3.514653      2.525395      8.188995
  N      -2.603522      2.613250      7.014642
  C      -2.236215      4.012665      6.675157
  C      -3.409766      4.687194      5.985516
  C      -1.395996      1.753905      7.163271
  C      -0.945426      1.309915      5.769930
  N      -2.132546      0.854674      5.040666
  H      -3.060926      5.612270      5.491392
  H      -4.174936      4.996080      6.727172
  H      -1.385772      3.963609      5.978548
  H      -1.914460      4.562544      7.577231
  H      -0.211906      0.492936      5.864676
  H      -0.432631      2.133751      5.234026
  H      -1.687989      0.866306      7.748813
  H      -0.601011      2.291204      7.716744
  H      -5.154213      1.293634      8.834981
  H      -3.711157      0.372462      8.387700
  H      -4.194890      3.384070      8.142507
  H      -2.942948      2.588091      9.130950
  C      -4.943079      4.429021      4.095624
  C      -6.308837      4.741287      4.728008
  C      -7.148828      3.537275      5.029056
  O      -7.449220      2.880672      3.778685
  C      -8.739996      2.776408      3.410372
  N      -9.716125      3.104280      4.240912
  C     -10.996973      2.994609      3.783467
  N     -11.390087      2.617417      2.584024
  C     -10.383478      2.287506      1.707888
  C     -10.694494      1.908521      0.386004
  C      -9.657328      1.600475     -0.472271
  C      -8.322086      1.648158     -0.002925
  N      -7.986944      1.990310      1.228271
  C      -9.002500      2.322838      2.069559
  C      -2.070808     -0.425860      4.318956
  C      -1.914326     -0.284360      2.797115
  C      -2.419620     -1.559809      2.144148
  O      -2.284863     -1.573168      0.696305
  C      -3.155345     -0.894954     -0.044971
  N      -4.059043     -0.105413      0.496247
  C      -4.897465      0.555684     -0.356007
  N      -4.962753      0.481009     -1.671458
  C      -4.054832     -0.358739     -2.252082
  C      -4.048253     -0.542557     -3.665080
  C      -3.114406     -1.387428     -4.206564
  C      -2.186927     -2.038076     -3.341651
  N      -2.164198     -1.897014     -2.014960
  C      -3.086450     -1.071555     -1.479027
  C      -5.972519      0.133229      6.645269
  C      -5.544280     -1.320115      6.916370
  C      -6.491808     -2.351781      6.324066
  O      -6.274476     -2.449621      4.885469
  C      -7.190530     -1.972249      4.039910
  N      -8.248378     -1.319069      4.467614
  C      -9.128635     -0.877632      3.529637
  N      -9.068167     -1.023945      2.219862
  C      -7.973512     -1.697702      1.761513
  C      -7.806102     -1.909586      0.370277
  C      -6.696412     -2.594903     -0.059628
  C      -5.754590     -3.051547      0.898171
  N      -5.869177     -2.867200      2.211094
  C      -6.966882     -2.206208      2.636870
  H      -4.502044      5.364702      3.742566
  H      -5.087947      3.794481      3.226795
  H      -6.176828      5.290485      5.657793
  H      -6.865821      5.397654      4.065755
  H      -8.086377      3.793469      5.530881
  H      -6.611637      2.820245      5.626242
  H     -11.781122      3.259361      4.507165
  H     -11.744086      1.877912      0.083774
  H      -9.847002      1.317808     -1.502888
  H      -7.501533      1.393607     -0.682003
  H      -1.251655     -1.031753      4.738009
  H      -2.995433     -0.994409      4.518360
  H      -0.870647     -0.086783      2.511017
  H      -2.521471      0.571468      2.463061
  H      -3.471312     -1.736822      2.401203
  H      -1.831728     -2.430716      2.460001
  H      -5.591886      1.231685      0.136493
  H      -4.782674     -0.009881     -4.284067
  H      -3.073337     -1.559723     -5.290401
  H      -1.435929     -2.706597     -3.762430
  H      -6.396205      0.209170      5.639458
  H      -6.774124      0.413907      7.353889
  H      -4.539052     -1.486244      6.493566
  H      -5.469089     -1.507097      7.998721
  H      -7.548144     -2.115776      6.519442
  H      -6.259820     -3.357588      6.700353
  H      -9.985537     -0.332300      3.921658
  H      -8.562324     -1.522702     -0.322547
  H      -6.528685     -2.783728     -1.122690
  H      -4.864597     -3.586451      0.564398
  N      -4.799170      1.236698      3.885946
  N      -5.512509      0.783844      2.904796
  H      -6.317881      1.372154      2.584360
  H      -5.002499      0.278366      2.166458
99
Coordinates from ORCA-job orca E -6533.007513458292
  N      -3.985783      3.776068      5.006456
  Mo     -3.827245      1.820603      5.242237
  N      -4.840426      1.073921      6.746558
  C      -4.288034      1.223892      8.089570
  C      -3.475204      2.505466      8.175211
  N      -2.582593      2.605009      6.996191
  C      -2.226180      4.007116      6.666397
  C      -3.406972      4.680252      6.000508
  C      -1.372982      1.750716      7.124422
  C      -0.942660      1.310610      5.732685
  N      -2.129253      0.854985      5.017968
  H      -3.071265      5.610605      5.513218
  H      -4.159589      4.979029      6.750407
  H      -1.388934      3.967621      5.961536
  H      -1.894875      4.551493      7.565910
  H      -0.208754      0.495676      5.813120
  H      -0.442835      2.136074      5.199713
  H      -1.648618      0.863050      7.706013
  H      -0.579251      2.289411      7.665999
  H      -5.102730      1.269410      8.827782
  H      -3.670505      0.350232      8.359030
  H      -4.154495      3.363663      8.143589
  H      -2.893483      2.562927      9.107964
  C      -4.950482      4.438899      4.121238
  C      -6.318944      4.744654      4.755315
  C      -7.193668      3.535702      5.029643
  O      -7.513077      2.890943      3.769317
  C      -8.787379      2.810071      3.376584
  N      -9.768563      3.157415      4.175645
  C     -11.030053      3.050105      3.692872
  N     -11.401294      2.653191      2.497304
  C     -10.390644      2.298753      1.653095
  C     -10.683145      1.888683      0.334593
  C      -9.644510      1.553918     -0.497834
  C      -8.325157      1.608309     -0.010164
  N      -8.004363      1.978641      1.221464
  C      -9.026456      2.334254      2.041584
  C      -2.059022     -0.421925      4.308259
  C      -1.913158     -0.298953      2.785941
  C      -2.420616     -1.577654      2.135768
  O      -2.280283     -1.592426      0.690703
  C      -3.159460     -0.917044     -0.032303
  N      -4.084765     -0.151965      0.528609
  C      -4.931175      0.512473     -0.302421
  N      -4.986126      0.464577     -1.612876
  C      -4.054561     -0.348496     -2.209816
  C      -4.027418     -0.496327     -3.614624
  C      -3.061530     -1.311332     -4.176052
  C      -2.134308     -1.973362     -3.335807
  N      -2.132137     -1.866514     -2.015801
  C      -3.078878     -1.066572     -1.461940
  C      -5.947464      0.135368      6.663013
  C      -5.529282     -1.320900      6.923174
  C      -6.487859     -2.334398      6.332732
  O      -6.274998     -2.431899      4.892239
  C      -7.197222     -1.948516      4.055215
  N      -8.251985     -1.286646      4.500751
  C      -9.146277     -0.851882      3.575965
  N      -9.098445     -1.016445      2.268956
  C      -8.007214     -1.698247      1.789707
  C      -7.851030     -1.930397      0.399807
  C      -6.741203     -2.621283     -0.048548
  C      -5.790471     -3.067338      0.888719
  N      -5.893776     -2.864878      2.198425
  C      -6.989041     -2.194642      2.643962
  H      -4.508028      5.386659      3.780279
  H      -5.096134      3.813594      3.237452
  H      -6.181367      5.278496      5.703129
  H      -6.866092      5.428889      4.090412
  H      -8.130217      3.808932      5.524621
  H      -6.670724      2.786311      5.631281
  H     -11.817196      3.336868      4.387886
  H     -11.721196      1.855002      0.015731
  H      -9.820686      1.244946     -1.524912
  H      -7.505531      1.334800     -0.675060
  H      -1.225498     -1.016853      4.722979
  H      -2.979383     -0.988196      4.523128
  H      -0.873258     -0.109489      2.506218
  H      -2.512980      0.548214      2.442653
  H      -3.477648     -1.757903      2.389181
  H      -1.830598     -2.447428      2.453947
  H      -5.630755      1.173975      0.204980
  H      -4.764803      0.041204     -4.213223
  H      -2.999821     -1.451990     -5.254509
  H      -1.361164     -2.619879     -3.773387
  H      -6.385139      0.219648      5.667648
  H      -6.729777      0.420239      7.381539
  H      -4.529910     -1.492494      6.491529
  H      -5.450801     -1.516870      8.003677
  H      -7.534469     -2.082462      6.531427
  H      -6.270848     -3.340958      6.706977
  H     -10.003375     -0.299841      3.983665
  H      -8.614937     -1.557679     -0.275569
  H      -6.581875     -2.821957     -1.111228
  H      -4.903139     -3.613766      0.542299
  N      -4.807466      1.236957      3.893608
  N      -5.512778      0.762282      2.918021
  H      -6.313916      1.324888      2.602592
  H      -4.986571      0.228471      2.181948
99
Coordinates from ORCA-job orca E -6533.005114800788
  N      -3.955986      3.777955      4.978503
  Mo     -3.824663      1.817404      5.240039
  N      -4.874516      1.093789      6.742793
  C      -4.349680      1.260512      8.106478
  C      -3.510467      2.530376      8.178353
  N      -2.585736      2.595539      7.005838
  C      -2.198568      3.990014      6.659984
  C      -3.365103      4.679676      5.970749
  C      -1.384067      1.723627      7.155521
  C      -0.941759      1.278135      5.764948
  N      -2.135220      0.837004      5.035787
  H      -3.003994      5.598856      5.471948
  H      -4.124638      5.002086      6.710615
  H      -1.345442      3.928144      5.961346
  H      -1.868899      4.538392      7.559249
  H      -0.217310      0.449982      5.860302
  H      -0.420446      2.098881      5.231140
  H      -1.679611      0.837978      7.740958
  H      -0.584453      2.254906      7.705412
  H      -5.191744      1.335833      8.833663
  H      -3.743265      0.374669      8.415778
  H      -4.181009      3.408160      8.112647
  H      -2.945656      2.593164      9.127801
  C      -4.908606      4.467132      4.094201
  C      -6.260155      4.779863      4.756359
  C      -7.126473      3.542324      5.014882
  O      -7.468398      2.906296      3.722649
  C      -8.762830      2.815952      3.359935
  N      -9.739734      3.126204      4.188632
  C     -11.019174      2.989923      3.732017
  N     -11.412738      2.595375      2.537333
  C     -10.406546      2.278916      1.665189
  C     -10.727296      1.854821      0.346985
  C      -9.696020      1.538561     -0.507599
  C      -8.359904      1.621751     -0.041719
  N      -8.010287      2.006257      1.190239
  C      -9.024857      2.348096      2.025805
  C      -2.080000     -0.444555      4.315104
  C      -1.920656     -0.308011      2.789256
  C      -2.420716     -1.585151      2.121620
  O      -2.280018     -1.583314      0.675872
  C      -3.174983     -0.905445     -0.045101
  N      -4.115652     -0.140980      0.518284
  C      -4.962365      0.532797     -0.307083
  N      -5.008632      0.494081     -1.612425
  C      -4.073502     -0.316774     -2.212084
  C      -4.051587     -0.451757     -3.610813
  C      -3.100099     -1.272862     -4.182570
  C      -2.181343     -1.951212     -3.354483
  N      -2.165896     -1.852370     -2.038364
  C      -3.099323     -1.046673     -1.475328
  C      -5.985960      0.152870      6.633756
  C      -5.562296     -1.297904      6.940368
  C      -6.508124     -2.336994      6.353641
  O      -6.283197     -2.457594      4.915565
  C      -7.196574     -1.994573      4.062719
  N      -8.261438     -1.336241      4.476401
  C      -9.136012     -0.897009      3.529583
  N      -9.064249     -1.046862      2.225236
  C      -7.960577     -1.723195      1.782897
  C      -7.779338     -1.932655      0.398689
  C      -6.657756     -2.607056     -0.015667
  C      -5.723007     -3.070118      0.953989
  N      -5.852466     -2.895127      2.259231
  C      -6.958787     -2.234597      2.667977
  H      -4.442646      5.430426      3.766772
  H      -5.072487      3.849806      3.184443
  H      -6.100713      5.300206      5.731892
  H      -6.817022      5.495398      4.108101
  H      -8.050305      3.807174      5.545537
  H      -6.583313      2.754998      5.599605
  H     -11.805169      3.241291      4.453328
  H     -11.781139      1.789199      0.048799
  H      -9.891300      1.210666     -1.537662
  H      -7.550974      1.350517     -0.728004
  H      -1.257192     -1.052795      4.731995
  H      -3.007405     -1.004355      4.520179
  H      -0.872180     -0.108880      2.512011
  H      -2.525180      0.543274      2.451003
  H      -3.479780     -1.772706      2.375020
  H      -1.829187     -2.457774      2.431628
  H      -5.694536      1.177433      0.206315
  H      -4.786028      0.096154     -4.197591
  H      -3.048828     -1.407314     -5.257709
  H      -1.428079     -2.605512     -3.800585
  H      -6.394715      0.210831      5.605120
  H      -6.806227      0.455114      7.327597
  H      -4.554547     -1.477528      6.535993
  H      -5.497790     -1.462543      8.030577
  H      -7.562034     -2.091854      6.536557
  H      -6.283601     -3.338995      6.748688
  H     -10.000527     -0.345565      3.908377
  H      -8.531396     -1.549175     -0.302511
  H      -6.476296     -2.781395     -1.074749
  H      -4.823621     -3.594735      0.634348
  N      -4.797119      1.237681      3.881531
  N      -5.508801      0.769149      2.898779
  H      -6.312761      1.356423      2.562758
  H      -4.965490      0.234472      2.176643
99
Coordinates from ORCA-job orca E -6533.008340075180
  N      -3.980804      3.782659      4.991792
  Mo     -3.830791      1.828375      5.238888
  N      -4.864461      1.088763      6.737295
  C      -4.330006      1.248362      8.092570
  C      -3.508459      2.526526      8.175417
  N      -2.597226      2.611784      7.002257
  C      -2.226989      4.009424      6.665243
  C      -3.398755      4.688965      5.983847
  C      -1.390915      1.754301      7.141337
  C      -0.948332      1.307885      5.750970
  N      -2.133669      0.856951      5.028559
  H      -3.049047      5.611951      5.489302
  H      -4.157503      5.002295      6.727128
  H      -1.380845      3.958150      5.965553
  H      -1.899174      4.557074      7.565425
  H      -0.219217      0.487799      5.841876
  H      -0.438508      2.127154      5.216761
  H      -1.673078      0.869954      7.724382
  H      -0.599545      2.293022      7.687487
  H      -5.158843      1.304868      8.822686
  H      -3.716808      0.372471      8.380880
  H      -4.185178      3.390634      8.125543
  H      -2.938228      2.588766      9.118111
  C      -4.942343      4.452087      4.109621
  C      -6.296520      4.762418      4.764998
  C      -7.143589      3.541518      5.054428
  O      -7.473118      2.889368      3.788805
  C      -8.762661      2.797161      3.421602
  N      -9.733471      3.135609      4.247585
  C     -11.009157      3.026866      3.789282
  N     -11.402243      2.639551      2.593683
  C     -10.400837      2.296610      1.722535
  C     -10.715565      1.900145      0.402794
  C      -9.686501      1.573364     -0.453510
  C      -8.354614      1.621657      0.014194
  N      -8.012913      1.980636      1.245589
  C      -9.024576      2.330631      2.085419
  C      -2.064982     -0.419263      4.316690
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  O      -2.286530     -1.588383      0.702118
  C      -3.163752     -0.916369     -0.037516
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  C      -4.918346      0.528870     -0.346793
  N      -4.956176      0.465686     -1.659430
  C      -4.029116     -0.364872     -2.237700
  C      -3.991649     -0.530546     -3.644382
  C      -3.046231     -1.370243     -4.187432
  C      -2.143234     -2.035083     -3.326676
  N      -2.143773     -1.907616     -2.004800
  C      -3.074897     -1.085687     -1.468774
  C      -5.973276      0.138313      6.628632
  C      -5.543333     -1.316592      6.899044
  C      -6.489721     -2.345247      6.300528
  O      -6.272955     -2.439221      4.861911
  C      -7.197130     -1.968252      4.020992
  N      -8.260090     -1.317173      4.455568
  C      -9.148881     -0.884004      3.523424
  N      -9.090463     -1.036569      2.216800
  C      -7.990659     -1.706867      1.750668
  C      -7.822927     -1.926654      0.363021
  C      -6.704686     -2.607044     -0.072532
  C      -5.759009     -3.055217      0.876685
  N      -5.873386     -2.863592      2.183830
  C      -6.976411     -2.204785      2.616175
  H      -4.495094      5.404279      3.766949
  H      -5.097937      3.825188      3.219231
  H      -6.147972      5.301994      5.715956
  H      -6.859862      5.445349      4.110196
  H      -8.071404      3.806469      5.576089
  H      -6.596695      2.789086      5.644606
  H     -11.788857      3.306220      4.507763
  H     -11.762725      1.870097      0.101848
  H      -9.880891      1.273541     -1.484159
  H      -7.541671      1.351525     -0.666996
  H      -1.238916     -1.014531      4.733495
  H      -2.988327     -0.984270      4.528467
  H      -0.861822     -0.094297      2.513040
  H      -2.520440      0.559419      2.447015
  H      -3.475708     -1.742874      2.405146
  H      -1.838678     -2.439989      2.470192
  H      -5.641920      1.192994      0.146475
  H      -4.711158      0.009648     -4.259157
  H      -2.983501     -1.528600     -5.266895
  H      -1.390488     -2.702211     -3.748840
  H      -6.394403      0.209965      5.614286
  H      -6.784545      0.422891      7.335913
  H      -4.534280     -1.482178      6.481132
  H      -5.473344     -1.506317      7.980384
  H      -7.546245     -2.107570      6.494035
  H      -6.259254     -3.353235      6.674655
  H     -10.012473     -0.341437      3.921351
  H      -8.583679     -1.553612     -0.322361
  H      -6.536047     -2.797970     -1.132800
  H      -4.865620     -3.591714      0.540325
  N      -4.802819      1.241097      3.883720
  N      -5.521843      0.779376      2.905676
  H      -6.313352      1.348181      2.590494
  H      -5.007317      0.265689      2.169856
99
Coordinates from ORCA-job orca E -6533.006525604789
  N      -3.964598      3.778770      5.000518
  Mo     -3.824697      1.823200      5.238141
  N      -4.851074      1.083995      6.739774
  C      -4.302571      1.229235      8.082598
  C      -3.482198      2.505745      8.174559
  N      -2.583438      2.597605      7.001032
  C      -2.210040      3.996286      6.672568
  C      -3.381296      4.679000      6.000994
  C      -1.383988      1.727979      7.142226
  C      -0.944425      1.283721      5.751842
  N      -2.134547      0.842914      5.023116
  H      -3.033141      5.609751      5.515831
  H      -4.135504      4.982065      6.749099
  H      -1.370259      3.950085      5.972072
  H      -1.876950      4.537391      7.573647
  H      -0.221715      0.456883      5.843502
  H      -0.423091      2.105334      5.221284
  H      -1.680591      0.839672      7.723384
  H      -0.584425      2.257207      7.694624
  H      -5.117101      1.278032      8.815267
  H      -3.693977      0.354210      8.352442
  H      -4.154232      3.366694      8.141343
  H      -2.903388      2.558556      9.108701
  C      -4.921020      4.448558      4.108067
  C      -6.291903      4.761978      4.735582
  C      -7.169928      3.555412      5.014220
  O      -7.479638      2.905924      3.754220
  C      -8.759852      2.812696      3.375692
  N      -9.739168      3.145542      4.188887
  C     -11.012594      3.014530      3.724302
  N     -11.399005      2.603656      2.533548
  C     -10.390899      2.263621      1.674597
  C     -10.701632      1.825913      0.361672
  C      -9.666043      1.494474     -0.481748
  C      -8.334063      1.576310     -0.009925
  N      -7.997548      1.973186      1.215452
  C      -9.014310      2.327869      2.044944
  C      -2.082662     -0.435764      4.302805
  C      -1.926651     -0.301884      2.785085
  C      -2.425099     -1.580291      2.123120
  O      -2.281000     -1.581407      0.678460
  C      -3.155928     -0.898469     -0.041518
  N      -4.066044     -0.131198      0.522142
  C      -4.912976      0.538284     -0.304996
  N      -4.983053      0.491297     -1.614644
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  C      -4.050982     -0.467847     -3.622334
  C      -3.085008     -1.276206     -4.188246
  C      -2.145088     -1.935694     -3.351773
  N      -2.136009     -1.834810     -2.030126
  C      -3.082452     -1.040786     -1.471726
  C      -5.959466      0.158529      6.659940
  C      -5.563046     -1.294563      6.932817
  C      -6.528855     -2.299816      6.351107
  O      -6.305685     -2.417914      4.912082
  C      -7.216677     -1.945292      4.059132
  N      -8.279529     -1.287294      4.481115
  C      -9.162550     -0.863949      3.538055
  N      -9.097208     -1.034220      2.231697
  C      -7.995930     -1.710970      1.777909
  C      -7.822426     -1.947338      0.390472
  C      -6.704872     -2.632824     -0.032867
  C      -5.762098     -3.070187      0.926777
  N      -5.882591     -2.865368      2.235729
  C      -6.987168     -2.200701      2.655703
  H      -4.470000      5.393481      3.768220
  H      -5.068392      3.822995      3.223933
  H      -6.156279      5.301329      5.680293
  H      -6.833348      5.441481      4.063530
  H      -8.108955      3.825948      5.501992
  H      -6.653681      2.816565      5.624026
  H     -11.798946      3.283303      4.432559
  H     -11.750607      1.763875      0.056478
  H      -9.855544      1.160157     -1.504354
  H      -7.517807      1.298028     -0.681330
  H      -1.264108     -1.048285      4.721364
  H      -3.012184     -0.993190      4.501873
  H      -0.889147     -0.106552      2.510773
  H      -2.525685      0.546868      2.450539
  H      -3.484777     -1.768166      2.372825
  H      -1.830284     -2.451976      2.434917
  H      -5.597951      1.202832      0.202891
  H      -4.797451      0.068624     -4.217533
  H      -3.030231     -1.412858     -5.268486
  H      -1.366702     -2.575239     -3.792692
  H      -6.393274      0.252655      5.673580
  H      -6.726752      0.446334      7.374710
  H      -4.570938     -1.482373      6.502171
  H      -5.486612     -1.478769      8.016942
  H      -7.569154     -2.035445      6.543715
  H      -6.326230     -3.300427      6.737134
  H     -10.027112     -0.316120      3.925049
  H      -8.580023     -1.578442     -0.304357
  H      -6.531604     -2.833377     -1.093809
  H      -4.865450     -3.604559      0.598646
  N      -4.801258      1.250573      3.878369
  N      -5.500952      0.775857      2.900458
  H      -6.302460      1.367600      2.561766
  H      -4.964492      0.228771      2.171542
99
Coordinates from ORCA-job orca E -6533.008671157770
  N      -3.978996      3.776939      4.986729
  Mo     -3.830279      1.819849      5.235746
  N      -4.858271      1.082968      6.739722
  C      -4.318970      1.244195      8.091613
  C      -3.497863      2.522249      8.170547
  N      -2.590439      2.606046      6.994544
  C      -2.221027      4.004371      6.655073
  C      -3.395015      4.683505      5.976363
  C      -1.384948      1.743040      7.135540
  C      -0.946174      1.298191      5.744367
  N      -2.134767      0.847859      5.021648
  H      -3.047344      5.606756      5.480802
  H      -4.150884      4.996576      6.720852
  H      -1.376614      3.953577      5.953342
  H      -1.890960      4.552534      7.553586
  H      -0.216095      0.477731      5.833709
  H      -0.435717      2.120747      5.209867
  H      -1.672121      0.856894      7.720114
  H      -0.588434      2.278414      7.681919
  H      -5.145088      1.302447      8.824340
  H      -3.705278      0.367805      8.379376
  H      -4.174663      3.386945      8.124454
  H      -2.924105      2.583486      9.110656
  C      -4.937361      4.444309      4.098257
  C      -6.299112      4.760700      4.739708
  C      -7.166006      3.548200      5.026022
  O      -7.486189      2.893564      3.765350
  C      -8.769196      2.799903      3.387833
  N      -9.749204      3.127867      4.203014
  C     -11.019073      3.008491      3.733752
  N     -11.399733      2.619735      2.537529
  C     -10.390187      2.285978      1.677805
  C     -10.692560      1.882322      0.359352
  C      -9.655519      1.560478     -0.483840
  C      -8.329827      1.619189     -0.005519
  N      -7.999424      1.986236      1.224882
  C      -9.018585      2.331959      2.052555
  C      -2.073163     -0.433349      4.311195
  C      -1.917348     -0.308742      2.788470
  C      -2.427915     -1.587511      2.135586
  O      -2.283556     -1.599864      0.689852
  C      -3.157457     -0.916517     -0.039175
  N      -4.081235     -0.141896      0.517159
  C      -4.914337      0.533635     -0.318129
  N      -4.957090      0.488556     -1.629700
  C      -4.030750     -0.334058     -2.223084
  C      -3.996127     -0.478903     -3.629672
  C      -3.043455     -1.306534     -4.188580
  C      -2.134797     -1.982957     -3.343939
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  C      -3.071111     -1.065375     -1.470607
  C      -5.965815      0.136420      6.643988
  C      -5.534233     -1.317631      6.924446
  C      -6.485468     -2.350845      6.339963
  O      -6.277775     -2.445725      4.899917
  C      -7.207879     -1.974448      4.066653
  N      -8.270439     -1.330069      4.511131
  C      -9.168487     -0.897908      3.585967
  N      -9.118444     -1.047003      2.277259
  C      -8.018109     -1.708944      1.801250
  C      -7.858374     -1.918263      0.409479
  C      -6.738321     -2.583927     -0.037907
  C      -5.782170     -3.029715      0.904173
  N      -5.889588     -2.850125      2.216240
  C      -6.994802     -2.204104      2.658982
  H      -4.485434      5.389145      3.753488
  H      -5.090954      3.816009      3.214432
  H      -6.155016      5.301886      5.686485
  H      -6.850397      5.442390      4.074440
  H      -8.099629      3.820267      5.529082
  H      -6.636196      2.801244      5.629530
  H     -11.806448      3.276905      4.442855
  H     -11.736369      1.841073      0.049770
  H      -9.837959      1.254189     -1.511603
  H      -7.513389      1.349790     -0.678337
  H      -1.247961     -1.034895      4.730904
  H      -2.998350     -0.995166      4.520429
  H      -0.870450     -0.120621      2.510352
  H      -2.514823      0.544545      2.443350
  H      -3.486605     -1.764759      2.386575
  H      -1.841957     -2.461322      2.454414
  H      -5.618539      1.197850      0.187570
  H      -4.720294      0.069465     -4.230975
  H      -2.979193     -1.446884     -5.268534
  H      -1.374612     -2.640581     -3.779240
  H      -6.391959      0.204181      5.634061
  H      -6.768360      0.427022      7.351684
  H      -4.529235     -1.485718      6.500023
  H      -5.455601     -1.500322      8.008492
  H      -7.539571     -2.113621      6.541118
  H      -6.251746     -3.357771      6.717084
  H     -10.031959     -0.358930      3.991299
  H      -8.626643     -1.545141     -0.270375
  H      -6.575061     -2.764591     -1.102653
  H      -4.885455     -3.551957      0.557778
  N      -4.803875      1.238755      3.879078
  N      -5.511603      0.767411      2.899718
  H      -6.311754      1.340955      2.571283
  H      -4.980510      0.236547      2.171880
99
Coordinates from ORCA-job orca E -6533.006902672596
  N      -3.964868      3.790164      5.002744
  Mo     -3.823676      1.837209      5.239815
  N      -4.871676      1.098493      6.728729
  C      -4.345206      1.248699      8.088245
  C      -3.512474      2.520673      8.180343
  N      -2.596362      2.606881      7.013096
  C      -2.217103      4.002691      6.685837
  C      -3.381764      4.689745      6.002854
  C      -1.394417      1.748990      7.151543
  C      -0.948847      1.300042      5.764923
  N      -2.130246      0.858009      5.039467
  H      -3.025164      5.614219      5.514347
  H      -4.142104      5.001943      6.745409
  H      -1.369274      3.950129      5.990109
  H      -1.889089      4.543964      7.590007
  H      -0.228150      0.475534      5.857817
  H      -0.433092      2.112565      5.235211
  H      -1.676626      0.868349      7.730304
  H      -0.607722      2.286317      7.698574
  H      -5.180547      1.309396      8.811384
  H      -3.742126      0.366191      8.380226
  H      -4.182294      3.389298      8.128377
  H      -2.946661      2.576904      9.126316
  C      -4.923024      4.469801      4.122379
  C      -6.270633      4.780409      4.787543
  C      -7.107418      3.552319      5.080324
  O      -7.450843      2.899320      3.808841
  C      -8.745547      2.803459      3.455743
  N      -9.706660      3.148324      4.290680
  C     -10.988855      3.028715      3.848072
  N     -11.398182      2.620498      2.659046
  C     -10.406611      2.269989      1.777854
  C     -10.740040      1.847171      0.462795
  C      -9.721133      1.511460     -0.405395
  C      -8.379508      1.578355      0.045369
  N      -8.020192      1.961522      1.272578
  C      -9.023186      2.318841      2.124758
  C      -2.063296     -0.416223      4.322367
  C      -1.898854     -0.278178      2.799786
  C      -2.411226     -1.542682      2.142090
  O      -2.268247     -1.556967      0.696883
  C      -3.148885     -0.889681     -0.047129
  N      -4.077463     -0.107437      0.487038
  C      -4.921555      0.542265     -0.370977
  N      -4.974756      0.462994     -1.680203
  C      -4.045946     -0.367408     -2.249476
  C      -4.030575     -0.550570     -3.651265
  C      -3.089824     -1.392342     -4.186168
  C      -2.162832     -2.037567     -3.321560
  N      -2.140878     -1.893090     -2.003723
  C      -3.070996     -1.070812     -1.475665
  C      -5.990662      0.169688      6.611639
  C      -5.597286     -1.284500      6.883200
  C      -6.548821     -2.284974      6.268653
  O      -6.302612     -2.404022      4.833052
  C      -7.206652     -1.941889      3.965687
  N      -8.276698     -1.280279      4.368269
  C      -9.147018     -0.864394      3.413060
  N      -9.064834     -1.042889      2.113895
  C      -7.956873     -1.723667      1.679530
  C      -7.765403     -1.978708      0.303735
  C      -6.642570     -2.676030     -0.095743
  C      -5.714660     -3.104756      0.874782
  N      -5.851039     -2.879743      2.170293
  C      -6.959388     -2.205649      2.569521
  H      -4.472293      5.428045      3.784526
  H      -5.083369      3.846281      3.224033
  H      -6.115440      5.321050      5.741998
  H      -6.840950      5.466604      4.136165
  H      -8.029051      3.815958      5.616885
  H      -6.548356      2.791766      5.663681
  H     -11.760093      3.312781      4.574672
  H     -11.793788      1.803204      0.174915
  H      -9.931995      1.189785     -1.433612
  H      -7.573240      1.301394     -0.644815
  H      -1.245105     -1.020149      4.742133
  H      -2.991884     -0.976731      4.525202
  H      -0.850149     -0.087101      2.523139
  H      -2.501132      0.577017      2.456047
  H      -3.462563     -1.706022      2.391618
  H      -1.839492     -2.415803      2.461287
  H      -5.653942      1.207827      0.113365
  H      -4.767173     -0.024180     -4.269833
  H      -3.047207     -1.565841     -5.261634
  H      -1.413977     -2.705716     -3.737668
  H      -6.400655      0.258231      5.594927
  H      -6.798697      0.459377      7.315367
  H      -4.591779     -1.472162      6.479127
  H      -5.550591     -1.471825      7.964506
  H      -7.594601     -2.017129      6.438867
  H      -6.355661     -3.287643      6.653147
  H     -10.018410     -0.318138      3.784783
  H      -8.512943     -1.622948     -0.399233
  H      -6.457345     -2.897011     -1.144101
  H      -4.818204     -3.655109      0.567057
  N      -4.794880      1.252285      3.882849
  N      -5.515943      0.793839      2.905795
  H      -6.299768      1.378201      2.584826
  H      -5.006347      0.279136      2.167957
99
Coordinates from ORCA-job orca E -6533.008850608875
  N      -3.976291      3.783593      4.990650
  Mo     -3.831062      1.827038      5.234663
  N      -4.864443      1.088967      6.733626
  C      -4.327566      1.245703      8.086057
  C      -3.504290      2.522180      8.170592
  N      -2.594259      2.607118      6.997978
  C      -2.220209      4.004382      6.662680
  C      -3.390477      4.687464      5.982587
  C      -1.390987      1.743216      7.139980
  C      -0.948936      1.297412      5.750071
  N      -2.136620      0.852004      5.024050
  H      -3.038497      5.610214      5.488348
  H      -4.147016      5.002457      6.726097
  H      -1.374699      3.952187      5.962743
  H      -1.890032      4.549999      7.562879
  H      -0.223430      0.473007      5.842378
  H      -0.432079      2.117404      5.217688
  H      -1.680393      0.857492      7.722769
  H      -0.595903      2.277544      7.689126
  H      -5.153912      1.303002      8.816062
  H      -3.717342      0.368630      8.372015
  H      -4.178834      3.387511      8.124117
  H      -2.932886      2.581126      9.112085
  C      -4.934860      4.456899      4.106137
  C      -6.291023      4.773783      4.756360
  C      -7.146263      3.558067      5.050775
  O      -7.474732      2.900378      3.789949
  C      -8.762675      2.802769      3.423013
  N      -9.736053      3.135069      4.246075
  C     -11.010810      3.014158      3.786844
  N     -11.401988      2.619383      2.592900
  C     -10.398486      2.282353      1.724715
  C     -10.711379      1.873560      0.407139
  C      -9.679753      1.549619     -0.445001
  C      -8.348299      1.611789      0.024101
  N      -8.008877      1.981980      1.253307
  C      -9.022554      2.329905      2.089340
  C      -2.074683     -0.426693      4.310791
  C      -1.918895     -0.299578      2.787955
  C      -2.432646     -1.575106      2.138011
  O      -2.292677     -1.592067      0.691671
  C      -3.168036     -0.915403     -0.045034
  N      -4.088349     -0.134037      0.500667
  C      -4.917566      0.535206     -0.345618
  N      -4.958744      0.477673     -1.656607
  C      -4.033551     -0.350915     -2.238277
  C      -3.994125     -0.506391     -3.643209
  C      -3.039917     -1.337952     -4.191131
  C      -2.135602     -2.007896     -3.336749
  N      -2.141762     -1.892175     -2.015935
  C      -3.078446     -1.076297     -1.475263
  C      -5.974727      0.148791      6.633879
  C      -5.557395     -1.305460      6.909775
  C      -6.509436     -2.327665      6.315716
  O      -6.286185     -2.433490      4.877405
  C      -7.205675     -1.967515      4.029447
  N      -8.270962     -1.314621      4.455703
  C      -9.157055     -0.887291      3.517365
  N      -9.094404     -1.047000      2.212147
  C      -7.990857     -1.718261      1.754429
  C      -7.817940     -1.942155      0.368193
  C      -6.695530     -2.617290     -0.059749
  C      -5.751201     -3.062676      0.896371
  N      -5.871469     -2.870546      2.203154
  C      -6.978113     -2.211460      2.626906
  H      -4.481924      5.405472      3.763201
  H      -5.092780      3.830526      3.217315
  H      -6.142728      5.318079      5.702497
  H      -6.849721      5.453719      4.094770
  H      -8.075082      3.828032      5.566219
  H      -6.604932      2.810229      5.647819
  H     -11.792757      3.285276      4.503023
  H     -11.759148      1.830292      0.105275
  H      -9.871575      1.238639     -1.473205
  H      -7.534500      1.340118     -0.653962
  H      -1.251359     -1.029064      4.730049
  H      -3.001148     -0.986813      4.518895
  H      -0.870710     -0.109695      2.508628
  H      -2.519956      0.552819      2.441701
  H      -3.488289     -1.746825      2.391618
  H      -1.850798     -2.448616      2.459171
  H      -5.631867      1.201744      0.149572
  H      -4.714617      0.037682     -4.252099
  H      -2.971389     -1.485918     -5.269566
  H      -1.373971     -2.668227     -3.763130
  H      -6.398048      0.226310      5.626897
  H      -6.772713      0.437596      7.341779
  H      -4.552664     -1.479578      6.491355
  H      -5.488571     -1.490812      7.992992
  H      -7.561148     -2.079573      6.504548
  H      -6.290309     -3.332784      6.697830
  H     -10.022709     -0.342823      3.907910
  H      -8.578380     -1.573763     -0.322449
  H      -6.521832     -2.807281     -1.119685
  H      -4.853563     -3.594622      0.566226
  N      -4.804357      1.245287      3.879005
  N      -5.517718      0.779260      2.900835
  H      -6.310234      1.354782      2.573954
  H      -4.992830      0.255794      2.169919
99
Coordinates from ORCA-job orca E -6533.007992901733
  N      -3.970045      3.792249      5.000554
  Mo     -3.826821      1.837966      5.238500
  N      -4.865014      1.095291      6.732200
  C      -4.336168      1.250097      8.090229
  C      -3.510712      2.525241      8.180031
  N      -2.595909      2.609797      7.010687
  C      -2.216831      4.006969      6.680228
  C      -3.384185      4.693930      5.997912
  C      -1.395469      1.743179      7.157033
  C      -0.949250      1.300819      5.765982
  N      -2.135479      0.859351      5.030977
  H      -3.027818      5.618928      5.506806
  H      -4.141594      5.007031      6.742041
  H      -1.369597      3.956049      5.983510
  H      -1.888264      4.548484      7.583883
  H      -0.226644      0.475849      5.859865
  H      -0.427795      2.120882      5.237982
  H      -1.690386      0.856083      7.736704
  H      -0.599932      2.274406      7.712044
  H      -5.168086      1.306763      8.815686
  H      -3.727055      0.372784      8.380522
  H      -4.183884      3.390600      8.130411
  H      -2.942640      2.582749      9.124607
  C      -4.923975      4.463943      4.108718
  C      -6.286279      4.785916      4.747416
  C      -7.160544      3.575178      5.040703
  O      -7.482678      2.911315      3.785582
  C      -8.760410      2.821156      3.406208
  N      -9.737406      3.165566      4.216414
  C     -11.006330      3.043738      3.750040
  N     -11.388145      2.635301      2.559434
  C     -10.381690      2.284413      1.703468
  C     -10.688011      1.857133      0.389576
  C      -9.654951      1.518560     -0.452011
  C      -8.328316      1.585959      0.022680
  N      -7.993691      1.974260      1.249091
  C      -9.010390      2.334638      2.076678
  C      -2.074195     -0.419709      4.322541
  C      -1.901264     -0.294293      2.805444
  C      -2.409310     -1.572572      2.144839
  O      -2.256712     -1.583427      0.700767
  C      -3.134362     -0.906065     -0.032099
  N      -4.060792     -0.132404      0.518947
  C      -4.909427      0.529248     -0.320657
  N      -4.967051      0.469506     -1.631128
  C      -4.040067     -0.353766     -2.219619
  C      -4.030034     -0.519864     -3.624775
  C      -3.084463     -1.352810     -4.177123
  C      -2.152013     -2.009621     -3.327663
  N      -2.129958     -1.883702     -2.007342
  C      -3.060819     -1.068334     -1.462153
  C      -5.971304      0.140452      6.619513
  C      -5.525288     -1.314285      6.891261
  C      -6.463791     -2.353416      6.288694
  O      -6.250537     -2.429244      4.849558
  C      -7.193414     -1.968449      4.021350
  N      -8.261405     -1.345711      4.478831
  C      -9.176252     -0.934289      3.563432
  N      -9.137904     -1.089894      2.253494
  C      -8.033683     -1.728760      1.761765
  C      -7.886384     -1.950108      0.368257
  C      -6.760177     -2.595932     -0.093515
  C      -5.787074     -3.007509      0.834905
  N      -5.883313     -2.817146      2.148595
  C      -6.992768     -2.193135      2.607329
  H      -4.466972      5.409731      3.764056
  H      -5.078702      3.834175      3.223320
  H      -6.140336      5.332928      5.693722
  H      -6.834169      5.466983      4.073790
  H      -8.094556      3.852968      5.538081
  H      -6.635224      2.830521      5.653220
  H     -11.791187      3.328818      4.455406
  H     -11.732078      1.810348      0.082117
  H      -9.842187      1.193033     -1.476062
  H      -7.513695      1.304325     -0.647249
  H      -1.257948     -1.022871      4.749426
  H      -3.003673     -0.978655      4.523245
  H      -0.854297     -0.112019      2.542397
  H      -2.487534      0.561527      2.457545
  H      -3.471410     -1.749909      2.388329
  H      -1.824420     -2.448610      2.466023
  H      -5.612495      1.196639      0.178164
  H      -4.772794      0.013752     -4.230643
  H      -3.042275     -1.511478     -5.255663
  H      -1.397052     -2.671264     -3.757495
  H      -6.389664      0.205128      5.603013
  H      -6.787725      0.423546      7.322887
  H      -4.511206     -1.468746      6.473580
  H      -5.454744     -1.506360      7.972817
  H      -7.525933     -2.129737      6.486366
  H      -6.218638     -3.364426      6.655280
  H     -10.043777     -0.412921      3.980555
  H      -8.668842     -1.606248     -0.301153
  H      -6.605713     -2.787657     -1.159415
  H      -4.886053     -3.515227      0.476622
  N      -4.799887      1.256301      3.876189
  N      -5.508131      0.782240      2.900203
  H      -6.306698      1.372102      2.570247
  H      -4.982024      0.240084      2.171057
99
Coordinates from ORCA-job orca E -6533.008939998303
  N      -3.974618      3.780490      4.984387
  Mo     -3.830993      1.823678      5.230387
  N      -4.865114      1.088481      6.730893
  C      -4.330344      1.248694      8.084580
  C      -3.504029      2.523889      8.165898
  N      -2.594042      2.605555      6.992799
  C      -2.218769      4.002184      6.655777
  C      -3.388282      4.685621      5.975409
  C      -1.391469      1.741962      7.134485
  C      -0.951210      1.292840      5.745709
  N      -2.137459      0.846331      5.022123
  H      -3.035423      5.607408      5.479849
  H      -4.144143      5.002365      6.719261
  H      -1.373699      3.948796      5.955912
  H      -1.888179      4.548436      7.555482
  H      -0.225570      0.470214      5.836777
  H      -0.438418      2.110376      5.212202
  H      -1.678265      0.859276      7.718536
  H      -0.597617      2.277437      7.679568
  H      -5.159431      1.311132      8.813609
  H      -3.721940      0.369887      8.375995
  H      -4.177386      3.390539      8.118030
  H      -2.932708      2.583524      9.107323
  C      -4.931482      4.451453      4.097318
  C      -6.287721      4.774706      4.745071
  C      -7.148594      3.561799      5.044834
  O      -7.474922      2.898894      3.787340
  C      -8.759991      2.803943      3.417519
  N      -9.733923      3.145368      4.235550
  C     -11.006318      3.027676      3.773474
  N     -11.394581      2.625832      2.581429
  C     -10.390769      2.278771      1.718279
  C     -10.700909      1.864041      0.402337
  C      -9.668583      1.534015     -0.445588
  C      -8.339050      1.597219      0.025696
  N      -8.001284      1.973491      1.253513
  C      -9.016608      2.325077      2.085842
  C      -2.075016     -0.433989      4.311630
  C      -1.911257     -0.307674      2.789813
  C      -2.425448     -1.581509      2.133135
  O      -2.275714     -1.592325      0.688412
  C      -3.144082     -0.906809     -0.042481
  N      -4.068072     -0.130799      0.510266
  C      -4.901299      0.542762     -0.328637
  N      -4.945645      0.493183     -1.639467
  C      -4.019969     -0.331423     -2.228966
  C      -3.992608     -0.484002     -3.634555
  C      -3.044763     -1.316183     -4.189167
  C      -2.130364     -1.987435     -3.340862
  N      -2.125497     -1.874755     -2.019912
  C      -3.057562     -1.059294     -1.472862
  C      -5.975933      0.148539      6.632574
  C      -5.556621     -1.305956      6.915094
  C      -6.509306     -2.330797      6.325524
  O      -6.292272     -2.431276      4.886127
  C      -7.220863     -1.973418      4.043128
  N      -8.294162     -1.340642      4.475755
  C      -9.190160     -0.924914      3.541717
  N      -9.128080     -1.077931      2.233910
  C      -8.016425     -1.727601      1.769777
  C      -7.843472     -1.942470      0.380558
  C      -6.712864     -2.601706     -0.053043
  C      -5.760242     -3.035532      0.899644
  N      -5.879870     -2.847928      2.208773
  C      -6.994542     -2.207948      2.638459
  H      -4.476243      5.395448      3.750264
  H      -5.090437      3.821852      3.213629
  H      -6.138112      5.323595      5.688331
  H      -6.843669      5.452154      4.078231
  H      -8.078951      3.835571      5.553988
  H      -6.612220      2.817420      5.649139
  H     -11.788604      3.307927      4.485106
  H     -11.747032      1.821703      0.098409
  H      -9.857573      1.219494     -1.471951
  H      -7.525189      1.322187     -0.649837
  H      -1.253653     -1.036914      4.733844
  H      -3.002372     -0.994281      4.517656
  H      -0.862489     -0.123903      2.515806
  H      -2.504456      0.549038      2.443816
  H      -3.484741     -1.751850      2.380566
  H      -1.847377     -2.458416      2.452347
  H      -5.609399      1.207832      0.172332
  H      -4.722426      0.060007     -4.238836
  H      -2.987976     -1.463649     -5.268301
  H      -1.374478     -2.648867     -3.772465
  H      -6.398008      0.220841      5.621874
  H      -6.777028      0.441998      7.338134
  H      -4.552769     -1.482114      6.496230
  H      -5.486168     -1.486834      7.999601
  H      -7.559994     -2.084931      6.519994
  H      -6.286402     -3.336496      6.704843
  H     -10.064394     -0.403206      3.938770
  H      -8.610878     -1.581691     -0.308279
  H      -6.539351     -2.787264     -1.114903
  H      -4.856820     -3.555411      0.564817
  N      -4.803268      1.243027      3.871687
  N      -5.514637      0.773843      2.892807
  H      -6.307441      1.351214      2.560527
  H      -4.987683      0.245463      2.165688
99
Coordinates from ORCA-job orca E -6533.008738166862
  N      -3.962273      3.789179      4.983938
  Mo     -3.828813      1.834163      5.229651
  N      -4.876164      1.103699      6.723845
  C      -4.349665      1.264125      8.080398
  C      -3.520162      2.535877      8.165676
  N      -2.598714      2.607039      7.000091
  C      -2.207960      3.999244      6.660129
  C      -3.368248      4.692036      5.971795
  C      -1.404914      1.730655      7.157318
  C      -0.952973      1.277416      5.770603
  N      -2.140656      0.844626      5.031857
  H      -3.004183      5.607424      5.472488
  H      -4.123315      5.020624      6.710973
  H      -1.359772      3.934504      5.963878
  H      -1.875743      4.545246      7.559611
  H      -0.239399      0.442786      5.873957
  H      -0.416309      2.090813      5.241146
  H      -1.711802      0.847647      7.741209
  H      -0.607235      2.258547      7.715061
  H      -5.181428      1.328934      8.803171
  H      -3.746414      0.386050      8.375390
  H      -4.188615      3.405228      8.107147
  H      -2.956625      2.596708      9.112581
  C      -4.917349      4.466599      4.097547
  C      -6.270101      4.792938      4.749902
  C      -7.126371      3.581029      5.061407
  O      -7.463199      2.909478      3.808778
  C      -8.753308      2.808017      3.450599
  N      -9.724049      3.141929      4.276374
  C     -11.002701      3.011222      3.826503
  N     -11.400042      2.606463      2.638495
  C     -10.400142      2.267530      1.767453
  C     -10.720572      1.848662      0.455044
  C      -9.693463      1.520555     -0.400935
  C      -8.358494      1.585825      0.059360
  N      -8.012052      1.966032      1.283818
  C      -9.021119      2.321314      2.123515
  C      -2.086662     -0.432418      4.310191
  C      -1.925137     -0.296596      2.787533
  C      -2.435160     -1.568494      2.132332
  O      -2.292907     -1.581576      0.685337
  C      -3.171080     -0.909790     -0.058774
  N      -4.094974     -0.129191      0.479047
  C      -4.918477      0.536731     -0.376747
  N      -4.948025      0.478255     -1.689572
  C      -4.016184     -0.348567     -2.262837
  C      -3.955134     -0.500097     -3.669009
  C      -2.990505     -1.327016     -4.208253
  C      -2.098585     -1.997302     -3.344344
  N      -2.122619     -1.883941     -2.022091
  C      -3.069279     -1.072095     -1.489702
  C      -5.984917      0.160602      6.619552
  C      -5.565127     -1.292490      6.898061
  C      -6.512999     -2.316353      6.301781
  O      -6.287518     -2.414937      4.864682
  C      -7.214530     -1.960831      4.018761
  N      -8.288002     -1.320899      4.447689
  C      -9.186247     -0.915250      3.511805
  N      -9.126839     -1.085105      2.207722
  C      -8.014440     -1.742041      1.747080
  C      -7.845462     -1.981979      0.362736
  C      -6.713901     -2.641264     -0.067951
  C      -5.756390     -3.053442      0.882677
  N      -5.873448     -2.849781      2.187723
  C      -6.988952     -2.208218      2.615141
  H      -4.459522      5.411809      3.749720
  H      -5.081801      3.837415      3.210553
  H      -6.116894      5.347884      5.690317
  H      -6.829901      5.466997      4.082149
  H      -8.051990      3.858398      5.578968
  H      -6.583235      2.837896      5.664661
  H     -11.782113      3.282395      4.544999
  H     -11.770889      1.800535      0.159794
  H      -9.892387      1.202442     -1.425575
  H      -7.547573      1.308871     -0.620328
  H      -1.270904     -1.046868      4.730367
  H      -3.019676     -0.984946      4.509973
  H      -0.876615     -0.102646      2.512988
  H      -2.528198      0.555091      2.441928
  H      -3.489664     -1.740905      2.383221
  H      -1.854109     -2.442066      2.452671
  H      -5.639169      1.203025      0.111038
  H      -4.663518      0.045535     -4.285031
  H      -2.903680     -1.470545     -5.287361
  H      -1.327591     -2.653307     -3.763741
  H      -6.404231      0.235926      5.610810
  H      -6.786888      0.448104      7.324055
  H      -4.557693     -1.465042      6.483599
  H      -5.500424     -1.476543      7.981027
  H      -7.566946     -2.073080      6.491000
  H      -6.290298     -3.322082      6.680276
  H     -10.060818     -0.382501      3.905257
  H      -8.616270     -1.639985     -0.324099
  H      -6.542922     -2.841824     -1.126260
  H      -4.851061     -3.569855      0.549632
  N      -4.800270      1.253134      3.871964
  N      -5.518596      0.790100      2.896432
  H      -6.305295      1.379124      2.564588
  H      -4.999203      0.257794      2.165878
99
Coordinates from ORCA-job orca E -6533.009053432866
  N      -3.971376      3.784597      4.978788
  Mo     -3.834265      1.827321      5.223633
  N      -4.873629      1.095669      6.722079
  C      -4.341210      1.255846      8.075707
  C      -3.512471      2.528791      8.158512
  N      -2.598462      2.605142      6.988548
  C      -2.214747      3.999192      6.650689
  C      -3.379350      4.688065      5.967487
  C      -1.400837      1.734409      7.136920
  C      -0.956795      1.282258      5.749862
  N      -2.144041      0.842623      5.020238
  H      -3.020307      5.606208      5.469550
  H      -4.133429      5.011813      6.709396
  H      -1.368760      3.940003      5.952280
  H      -1.882364      4.544610      7.550134
  H      -0.237407      0.453330      5.846728
  H      -0.432651      2.097164      5.217593
  H      -1.697203      0.852044      7.721139
  H      -0.604438      2.265642      7.686912
  H      -5.170034      1.319579      8.802188
  H      -3.736094      0.377208      8.367480
  H      -4.182796      3.396987      8.107235
  H      -2.943818      2.588190      9.101457
  C      -4.925920      4.460323      4.091361
  C      -6.278907      4.791216      4.740880
  C      -7.138438      3.582542      5.053878
  O      -7.471329      2.909599      3.803593
  C      -8.759090      2.810104      3.440463
  N      -9.730516      3.151929      4.261353
  C     -11.005864      3.027588      3.805411
  N     -11.399266      2.621194      2.616138
  C     -10.398151      2.274277      1.749896
  C     -10.713564      1.853826      0.436153
  C      -9.684253      1.520390     -0.414976
  C      -8.352203      1.584796      0.051102
  N      -8.009846      1.967221      1.276810
  C      -9.021951      2.323608      2.112071
  C      -2.086874     -0.437256      4.311299
  C      -1.914608     -0.310459      2.793242
  C      -2.427576     -1.583610      2.133934
  O      -2.277881     -1.592418      0.688721
  C      -3.147875     -0.908142     -0.047845
  N      -4.070100     -0.127731      0.498199
  C      -4.894620      0.547555     -0.348305
  N      -4.929991      0.497836     -1.659613
  C      -4.003571     -0.329155     -2.241842
  C      -3.959305     -0.476793     -3.647453
  C      -3.007647     -1.309440     -4.195263
  C      -2.107014     -1.986064     -3.340172
  N      -2.116198     -1.876820     -2.018965
  C      -3.052154     -1.060952     -1.478305
  C      -5.982228      0.151465      6.621420
  C      -5.560016     -1.301762      6.904712
  C      -6.509919     -2.329107      6.314352
  O      -6.291236     -2.425224      4.876234
  C      -7.220927     -1.971397      4.033891
  N      -8.294858     -1.336157      4.464858
  C      -9.193192     -0.926089      3.530348
  N      -9.133871     -1.087147      2.225146
  C      -8.020572     -1.738863      1.763308
  C      -7.850874     -1.965543      0.377353
  C      -6.719113     -2.622699     -0.054220
  C      -5.761430     -3.042854      0.896819
  N      -5.878416     -2.847551      2.203040
  C      -6.994860     -2.210316      2.631051
  H      -4.466025      5.402857      3.742180
  H      -5.090492      3.830026      3.207326
  H      -6.125528      5.347535      5.678530
  H      -6.836814      5.463898      4.071182
  H      -8.066017      3.861268      5.566146
  H      -6.598480      2.842303      5.660262
  H     -11.785807      3.306942      4.519717
  H     -11.761611      1.809138      0.136384
  H      -9.878125      1.200652     -1.440167
  H      -7.540164      1.305916     -0.626048
  H      -1.273243     -1.042572      4.738094
  H      -3.018466     -0.992334      4.510970
  H      -0.864163     -0.125696      2.524748
  H      -2.505913      0.546784      2.445950
  H      -3.487520     -1.754380      2.379772
  H      -1.848897     -2.461583      2.453211
  H      -5.606897      1.214822      0.146352
  H      -4.676122      0.073137     -4.257361
  H      -2.936899     -1.452673     -5.274108
  H      -1.347277     -2.647239     -3.766591
  H      -6.402469      0.222568      5.611064
  H      -6.785439      0.442028      7.325530
  H      -4.553940     -1.474935      6.487766
  H      -5.491049     -1.482395      7.989032
  H      -7.563381     -2.088454      6.508967
  H      -6.283027     -3.335133      6.691947
  H     -10.067877     -0.396891      3.924728
  H      -8.621831     -1.615384     -0.310395
  H      -6.548570     -2.817918     -1.112951
  H      -4.856302     -3.558882      0.563143
  N      -4.807616      1.246969      3.866989
  N      -5.522173      0.779614      2.890303
  H      -6.310552      1.360443      2.555628
  H      -4.996792      0.247310      2.162887
99
Coordinates from ORCA-job orca E -6533.008742439262
  N      -3.963236      3.780075      4.978675
  Mo     -3.829155      1.823543      5.225435
  N      -4.871422      1.098273      6.725140
  C      -4.342318      1.262230      8.080957
  C      -3.506526      2.532265      8.158585
  N      -2.592437      2.602567      6.988167
  C      -2.205772      3.995196      6.647134
  C      -3.368567      4.685689      5.963116
  C      -1.396572      1.731262      7.135943
  C      -0.955763      1.272464      5.750681
  N      -2.142167      0.833170      5.026401
  H      -3.007271      5.601107      5.461665
  H      -4.120757      5.014696      6.704753
  H      -1.360477      3.932785      5.948949
  H      -1.872153      4.541823      7.545359
  H      -0.237513      0.444728      5.846092
  H      -0.436185      2.083218      5.216293
  H      -1.689742      0.854149      7.722487
  H      -0.601586      2.263872      7.679393
  H      -5.175757      1.335493      8.805541
  H      -3.741872      0.379532      8.381689
  H      -4.173258      3.403787      8.104751
  H      -2.937931      2.591847      9.101507
  C      -4.916449      4.451761      4.088526
  C      -6.270760      4.788159      4.734975
  C      -7.139657      3.581016      5.051988
  O      -7.467736      2.900106      3.806404
  C      -8.750184      2.800360      3.437869
  N      -9.725483      3.144631      4.251868
  C     -10.996996      3.016650      3.791048
  N     -11.383133      2.603730      2.603194
  C     -10.378246      2.253344      1.743993
  C     -10.686369      1.825608      0.432185
  C      -9.653300      1.489995     -0.410934
  C      -8.325063      1.559774      0.060809
  N      -7.989303      1.949136      1.284444
  C      -9.005172      2.307147      2.112280
  C      -2.087253     -0.450247      4.309819
  C      -1.925666     -0.318033      2.779522
  C      -2.451606     -1.577352      2.116130
  O      -2.290305     -1.584306      0.672409
  C      -3.140168     -0.888068     -0.062959
  N      -4.067961     -0.111046      0.484288
  C      -4.889185      0.568502     -0.362265
  N      -4.919001      0.524031     -1.675145
  C      -3.987831     -0.300925     -2.258699
  C      -3.945730     -0.449170     -3.666471
  C      -2.993775     -1.282825     -4.213324
  C      -2.088754     -1.958863     -3.355897
  N      -2.098856     -1.850791     -2.033397
  C      -3.035568     -1.034495     -1.493629
  C      -5.987231      0.168636      6.628492
  C      -5.575674     -1.283578      6.928916
  C      -6.527776     -2.311169      6.342075
  O      -6.308905     -2.418890      4.901497
  C      -7.246595     -1.979713      4.056897
  N      -8.330809     -1.367411      4.490971
  C      -9.237726     -0.973538      3.557617
  N      -9.176019     -1.130005      2.248729
  C      -8.052666     -1.755536      1.782069
  C      -7.879315     -1.969836      0.390936
  C      -6.736240     -2.603826     -0.045462
  C      -5.771718     -3.013557      0.906342
  N      -5.891890     -2.826116      2.217941
  C      -7.018684     -2.211158      2.650242
  H      -4.455294      5.389338      3.733592
  H      -5.080882      3.816805      3.210243
  H      -6.116602      5.348822      5.672383
  H      -6.824067      5.460431      4.057699
  H      -8.069902      3.864672      5.554790
  H      -6.607359      2.843891      5.669444
  H     -11.780614      3.299596      4.499422
  H     -11.731510      1.777207      0.127511
  H      -9.841422      1.164968     -1.433759
  H      -7.510253      1.279030     -0.609294
  H      -1.266156     -1.068416      4.731036
  H      -3.019992     -1.001355      4.515229
  H      -0.875313     -0.145965      2.503257
  H      -2.512131      0.545488      2.433834
  H      -3.510755     -1.733898      2.356410
  H      -1.889013     -2.460075      2.434576
  H      -5.598901      1.236124      0.132978
  H      -4.668934      0.098931     -4.279188
  H      -2.926327     -1.427787     -5.293467
  H      -1.329721     -2.621321     -3.781336
  H      -6.403336      0.234893      5.613109
  H      -6.790207      0.474022      7.326731
  H      -4.570707     -1.467608      6.517965
  H      -5.512299     -1.452705      8.016065
  H      -7.578018     -2.062989      6.532366
  H      -6.306255     -3.315134      6.728742
  H     -10.121764     -0.469503      3.956240
  H      -8.656432     -1.628952     -0.297655
  H      -6.562701     -2.791297     -1.108772
  H      -4.858381     -3.514029      0.568736
  N      -4.800831      1.243231      3.863996
  N      -5.512172      0.771373      2.887066
  H      -6.301816      1.354456      2.548357
  H      -4.988928      0.238202      2.162505
99
Coordinates from ORCA-job orca E -6533.009143531155
  N      -3.959824      3.785793      4.968658
  Mo     -3.830569      1.829453      5.218498
  N      -4.878588      1.104875      6.715370
  C      -4.353879      1.269086      8.072660
  C      -3.518677      2.538058      8.153433
  N      -2.599057      2.604873      6.986922
  C      -2.205832      3.995607      6.645841
  C      -3.364496      4.689918      5.955872
  C      -1.407101      1.728338      7.142737
  C      -0.958235      1.270387      5.758180
  N      -2.144184      0.837002      5.022155
  H      -2.997221      5.603756      5.454780
  H      -4.119309      5.022239      6.695110
  H      -1.357307      3.928916      5.950465
  H      -1.873296      4.541748      7.545295
  H      -0.245153      0.437384      5.861083
  H      -0.425754      2.079948      5.227189
  H      -1.710944      0.849311      7.727354
  H      -0.610549      2.256693      7.695526
  H      -5.188569      1.342040      8.794139
  H      -3.754734      0.387948      8.374569
  H      -4.184651      3.409551      8.095007
  H      -2.954223      2.598853      9.099397
  C      -4.913489      4.460164      4.080850
  C      -6.264778      4.796131      4.733018
  C      -7.124081      3.588454      5.058065
  O      -7.459154      2.905354      3.813015
  C      -8.747835      2.801505      3.456254
  N      -9.716960      3.149012      4.278491
  C     -10.993557      3.023139      3.827884
  N     -11.390255      2.609517      2.642773
  C     -10.391795      2.256456      1.775138
  C     -10.710798      1.831750      0.464948
  C      -9.683988      1.495913     -0.387652
  C      -8.351104      1.562187      0.073693
  N      -8.004980      1.948348      1.295560
  C      -9.014572      2.306991      2.132243
  C      -2.087902     -0.440546      4.308267
  C      -1.915116     -0.311427      2.788929
  C      -2.426028     -1.584614      2.126307
  O      -2.268121     -1.592111      0.681623
  C      -3.133152     -0.905699     -0.054979
  N      -4.060358     -0.132200      0.493019
  C      -4.885376      0.544636     -0.350788
  N      -4.918544      0.501171     -1.661987
  C      -3.987646     -0.319904     -2.246832
  C      -3.942485     -0.462061     -3.652683
  C      -2.984993     -1.288296     -4.202518
  C      -2.081162     -1.964589     -3.349208
  N      -2.092783     -1.861198     -2.027916
  C      -3.033324     -1.051350     -1.485470
  C      -5.990904      0.167568      6.614309
  C      -5.575981     -1.285282      6.905727
  C      -6.526771     -2.309965      6.315383
  O      -6.306518     -2.409623      4.876153
  C      -7.243620     -1.970619      4.032020
  N      -8.328523     -1.357020      4.464233
  C      -9.235755     -0.967348      3.530398
  N      -9.173942     -1.129256      2.223688
  C      -8.049748     -1.757158      1.759408
  C      -7.877050     -1.981196      0.371361
  C      -6.733945     -2.618952     -0.062202
  C      -5.768680     -3.023337      0.889389
  N      -5.888164     -2.827542      2.197432
  C      -7.015120     -2.207947      2.627158
  H      -4.451600      5.400041      3.727418
  H      -5.080044      3.826533      3.199453
  H      -6.108644      5.360340      5.667224
  H      -6.823907      5.463753      4.058944
  H      -8.050422      3.871340      5.570338
  H      -6.583559      2.852348      5.670414
  H     -11.771732      3.309177      4.542976
  H     -11.759283      1.786745      0.168767
  H      -9.880271      1.173853     -1.410120
  H      -7.541214      1.281575     -0.604137
  H      -1.273526     -1.051358      4.732920
  H      -3.021665     -0.991839      4.508493
  H      -0.863899     -0.124996      2.524431
  H      -2.506648      0.544033      2.439775
  H      -3.486766     -1.755221      2.366648
  H      -1.849460     -2.463002      2.447857
  H      -5.599061      1.207319      0.146644
  H      -4.662517      0.087051     -4.261381
  H      -2.912667     -1.427029     -5.281518
  H      -1.317016     -2.620799     -3.777266
  H      -6.406432      0.236821      5.601103
  H      -6.795388      0.464879      7.314172
  H      -4.569887     -1.464867      6.492671
  H      -5.512080     -1.460868      7.990924
  H      -7.578104     -2.064488      6.507797
  H      -6.304225     -3.315347      6.695749
  H     -10.121089     -0.464177      3.927488
  H      -8.654775     -1.645946     -0.316544
  H      -6.561177     -2.813096     -1.122813
  H      -4.855282     -3.526352      0.554473
  N      -4.800799      1.249384      3.857940
  N      -5.517086      0.781976      2.881559
  H      -6.301176      1.368651      2.541003
  H      -4.995577      0.249088      2.157673
99
Coordinates from ORCA-job orca E -6533.008868676295
  N      -3.983124      3.785785      4.981319
  Mo     -3.845122      1.825449      5.217289
  N      -4.876011      1.091093      6.718006
  C      -4.337630      1.251699      8.068112
  C      -3.510254      2.525532      8.149602
  N      -2.601023      2.605275      6.976545
  C      -2.219424      3.999816      6.640015
  C      -3.385181      4.688669      5.962109
  C      -1.402548      1.733864      7.120149
  C      -0.965512      1.284225      5.732147
  N      -2.154594      0.841452      5.009431
  H      -3.028621      5.603402      5.460166
  H      -4.132716      5.017141      6.704616
  H      -1.376099      3.942465      5.939349
  H      -1.884820      4.544034      7.538346
  H      -0.242480      0.457775      5.822713
  H      -0.448400      2.102568      5.198661
  H      -1.696392      0.850584      7.704319
  H      -0.604084      2.264093      7.666596
  H      -5.162120      1.313790      8.797506
  H      -3.731564      0.373681      8.355409
  H      -4.181610      3.393240      8.105470
  H      -2.937584      2.582362      9.089585
  C      -4.933202      4.465683      4.091611
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  C      -7.145549      3.612988      5.065725
  O      -7.479779      2.927906      3.823262
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  N      -9.739730      3.171273      4.268941
  C     -11.011758      3.039382      3.806409
  N     -11.398776      2.624710      2.616986
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  C     -10.700531      1.841601      0.444821
  C      -9.666511      1.499015     -0.397203
  C      -8.337358      1.568352      0.076640
  N      -8.003224      1.966515      1.302036
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  N      -2.126802     -1.889459     -2.015030
  C      -3.051757     -1.057385     -1.482463
  C      -5.983726      0.141270      6.620186
  C      -5.557378     -1.310789      6.906511
  C      -6.504070     -2.342110      6.317071
  O      -6.286157     -2.430183      4.880654
  C      -7.219073     -1.979793      4.042466
  N      -8.295116     -1.347752      4.475049
  C      -9.197593     -0.939428      3.542726
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  H      -6.122786      5.379096      5.667848
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  H      -9.854441      1.166611     -1.421433
  H      -7.521423      1.280057     -0.592553
  H      -1.297452     -1.054288      4.750973
  H      -3.037198     -0.999833      4.504044
  H      -0.862524     -0.174145      2.525574
  H      -2.487091      0.541043      2.440308
  H      -3.516119     -1.740644      2.379242
  H      -1.894760     -2.479745      2.457752
  H      -5.581719      1.262894      0.117578
  H      -4.612575      0.119665     -4.281070
  H      -2.897869     -1.439299     -5.281952
  H      -1.355932     -2.670420     -3.757253
  H      -6.404564      0.207787      5.611482
  H      -6.787702      0.431780      7.323402
  H      -4.548809     -1.480354      6.491607
  H      -5.490249     -1.489935      7.990462
  H      -7.560162     -2.109625      6.514591
  H      -6.270396     -3.347818      6.690161
  H     -10.073979     -0.409174      3.936864
  H      -8.632811     -1.625418     -0.293280
  H      -6.555503     -2.819438     -1.097634
  H      -4.851466     -3.544532      0.571369
  N      -4.823643      1.246949      3.864482
  N      -5.531732      0.771675      2.888241
  H      -6.321398      1.345123      2.544074
  H      -4.995334      0.229988      2.165030
99
Coordinates from ORCA-job orca E -6533.009291511984
  N      -3.962468      3.787733      4.965646
  Mo     -3.838694      1.828940      5.211873
  N      -4.887025      1.106807      6.708972
  C      -4.361025      1.270217      8.064681
  C      -3.521243      2.536677      8.144812
  N      -2.602492      2.601423      6.978220
  C      -2.205048      3.990964      6.637909
  C      -3.361090      4.689285      5.950228
  C      -1.413141      1.720843      7.132603
  C      -0.968051      1.261650      5.749165
  N      -2.155210      0.831601      5.015988
  H      -2.990858      5.600901      5.447705
  H      -4.111663      5.026238      6.689323
  H      -1.358014      3.922253      5.942193
  H      -1.869652      4.535335      7.536575
  H      -0.256919      0.426539      5.850350
  H      -0.435398      2.070137      5.218022
  H      -1.718073      0.842967      7.717053
  H      -0.615172      2.246612      7.683204
  H      -5.194361      1.345703      8.785957
  H      -3.765449      0.387122      8.366013
  H      -4.184128      3.410752      8.088416
  H      -2.955663      2.594520      9.089559
  C      -4.912168      4.468097      4.076223
  C      -6.260354      4.815937      4.727001
  C      -7.124203      3.615478      5.065318
  O      -7.461916      2.920429      3.830202
  C      -8.751410      2.810699      3.476964
  N      -9.720691      3.155980      4.299564
  C     -10.998193      3.021649      3.851105
  N     -11.395885      2.604760      2.667440
  C     -10.397426      2.253981      1.799602
  C     -10.716773      1.823897      0.490878
  C      -9.689865      1.485792     -0.361047
  C      -8.356523      1.553805      0.099582
  N      -8.010657      1.946695      1.319923
  C      -9.019857      2.309077      2.155573
  C      -2.103868     -0.449343      4.306094
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  C      -5.998592      0.167517      6.607892
  C      -5.582498     -1.283910      6.906144
  C      -6.529607     -2.312417      6.314621
  O      -6.304495     -2.409539      4.877232
  C      -7.238850     -1.972395      4.030821
  N      -8.324074     -1.352462      4.457215
  C      -9.228600     -0.963800      3.519621
  N      -9.165493     -1.133191      2.215909
  C      -8.039429     -1.767103      1.758438
  C      -7.864466     -1.999397      0.374003
  C      -6.719668     -2.635698     -0.053464
  C      -5.754198     -3.029285      0.899619
  N      -5.876301     -2.829271      2.204770
  C      -7.005675     -2.212911      2.628989
  H      -4.443182      5.403556      3.719629
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  H      -8.049838      3.906063      5.573869
  H      -6.584803      2.885789      5.684320
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  H      -9.886523      1.159044     -1.382339
  H      -7.546547      1.269584     -0.577154
  H      -1.295528     -1.062279      4.737346
  H      -3.040763     -0.996819      4.500859
  H      -0.869679     -0.147387      2.524470
  H      -2.505900      0.538575      2.436195
  H      -3.504089     -1.753504      2.362351
  H      -1.873048     -2.473262      2.446155
  H      -5.589767      1.225311      0.126495
  H      -4.622790      0.109018     -4.277899
  H      -2.877262     -1.415619     -5.287178
  H      -1.303998     -2.624097     -3.772001
  H      -6.410805      0.232260      5.592759
  H      -6.805876      0.467059      7.303971
  H      -4.573862     -1.462505      6.498520
  H      -5.522878     -1.455929      7.992291
  H      -7.583557     -2.071394      6.504356
  H      -6.303990     -3.317491      6.695085
  H     -10.113299     -0.446389      3.909690
  H      -8.641999     -1.669443     -0.315696
  H      -6.545270     -2.835122     -1.111053
  H      -4.838711     -3.527861      0.568860
  N      -4.812180      1.252629      3.853997
  N      -5.527080      0.783401      2.878404
  H      -6.310722      1.368927      2.532085
  H      -5.000635      0.244770      2.157412
99
Coordinates from ORCA-job orca E -6533.009181755808
  N      -3.957152      3.791822      4.961190
  Mo     -3.835407      1.835608      5.206722
  N      -4.887152      1.114591      6.701032
  C      -4.366466      1.280624      8.059284
  C      -3.528855      2.546974      8.141297
  N      -2.605201      2.607047      6.978206
  C      -2.201516      3.994115      6.636897
  C      -3.353715      4.695327      5.942874
  C      -1.420374      1.722244      7.142091
  C      -0.967072      1.260530      5.759192
  N      -2.153220      0.834196      5.016051
  H      -2.978139      5.602632      5.436993
  H      -4.105562      5.039498      6.680107
  H      -1.351345      3.920191      5.944063
  H      -1.867797      4.539126      7.536916
  H      -0.260702      0.422246      5.867780
  H      -0.423747      2.066445      5.230150
  H      -1.736253      0.844588      7.725656
  H      -0.621281      2.244434      7.701337
  H      -5.202004      1.357260      8.776962
  H      -3.771750      0.400049      8.364075
  H      -4.191619      3.419608      8.079356
  H      -2.967610      2.608127      9.089453
  C      -4.907207      4.468380      4.072516
  C      -6.252187      4.822108      4.727197
  C      -7.112033      3.622745      5.079329
  O      -7.455689      2.917412      3.847326
  C      -8.741585      2.811999      3.492542
  N      -9.707795      3.178823      4.307865
  C     -10.982199      3.049764      3.858383
  N     -11.379349      2.613944      2.679947
  C     -10.383302      2.241334      1.818654
  C     -10.702781      1.791969      0.513944
  C      -9.677843      1.437649     -0.333093
  C      -8.345683      1.512030      0.127792
  N      -7.999241      1.920680      1.344650
  C      -9.008010      2.294994      2.176631
  C      -2.100958     -0.446832      4.306581
  C      -1.912625     -0.323000      2.787909
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  N      -9.214790     -1.177391      2.221341
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  N      -5.895569     -2.808418      2.181860
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  H      -7.536264      1.216705     -0.544164
  H      -1.295569     -1.063259      4.740936
  H      -3.040975     -0.990241      4.499621
  H      -0.856376     -0.151951      2.532706
  H      -2.489886      0.539622      2.430259
  H      -3.497474     -1.746990      2.359531
  H      -1.871272     -2.473811      2.451072
  H      -5.578637      1.226145      0.117777
  H      -4.603125      0.115678     -4.283576
  H      -2.854599     -1.407547     -5.289452
  H      -1.286715     -2.621052     -3.771812
  H      -6.412125      0.241265      5.585957
  H      -6.805940      0.475683      7.294556
  H      -4.575367     -1.453736      6.488369
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  H      -7.585580     -2.064049      6.496610
  H      -6.305899     -3.310449      6.688265
  H     -10.167504     -0.542051      3.931508
  H      -8.695355     -1.663227     -0.325645
  H      -6.581812     -2.782853     -1.143313
  H      -4.856000     -3.480226      0.531488
  N      -4.807781      1.253537      3.845765
  N      -5.525818      0.782976      2.872391
  H      -6.304101      1.368392      2.527173
  H      -5.007957      0.243265      2.151192
99
Coordinates from ORCA-job orca E -6533.009441977420
  N      -3.957625      3.790681      4.954053
  Mo     -3.839700      1.832192      5.200908
  N      -4.892924      1.113917      6.696279
  C      -4.373891      1.282853      8.055375
  C      -3.531282      2.546699      8.134487
  N      -2.607098      2.603879      6.970881
  C      -2.201059      3.990102      6.627611
  C      -3.351255      4.693413      5.932704
  C      -1.423404      1.716976      7.133634
  C      -0.972125      1.255543      5.751216
  N      -2.157984      0.830044      5.010031
  H      -2.973524      5.597521      5.424460
  H      -4.100965      5.042655      6.668452
  H      -1.350766      3.913844      5.935000
  H      -1.866431      4.535457      7.526656
  H      -0.265153      0.417959      5.856868
  H      -0.432032      2.061309      5.222367
  H      -1.738384      0.840861      7.716866
  H      -0.624625      2.238103      7.690204
  H      -5.212206      1.366198      8.771947
  H      -3.782816      0.399046      8.365859
  H      -4.191782      3.422375      8.073178
  H      -2.969758      2.605928      9.082451
  C      -4.906139      4.469616      4.065956
  C      -6.248831      4.828791      4.722200
  C      -7.108647      3.630963      5.081447
  O      -7.448461      2.920117      3.852275
  C      -8.737000      2.805968      3.504509
  N      -9.704872      3.157374      4.326327
  C     -10.982097      3.019054      3.881361
  N     -11.380979      2.591836      2.702083
  C     -10.383879      2.234350      1.835144
  C     -10.704204      1.794082      0.530415
  C      -9.678290      1.450270     -0.319929
  C      -8.344790      1.523393      0.138187
  N      -7.997812      1.926614      1.354560
  C      -9.006409      2.293632      2.188625
  C      -2.107683     -0.452323      4.300453
  C      -1.913138     -0.329833      2.782854
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  O      -2.265938     -1.605011      0.674101
  C      -3.116419     -0.905279     -0.069062
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  C      -4.850756      0.565254     -0.377341
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  C      -3.869864     -0.422678     -3.675036
  C      -2.916795     -1.255979     -4.218166
  C      -2.034667     -1.950740     -3.357625
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  C      -2.999448     -1.041458     -1.499263
  C      -6.008144      0.179526      6.595896
  C      -5.599215     -1.271376      6.901758
  C      -6.548135     -2.296365      6.312011
  O      -6.324287     -2.392509      4.873590
  C      -7.269736     -1.971501      4.030289
  N      -8.365512     -1.377877      4.462798
  C      -9.283636     -1.011915      3.530118
  N      -9.223672     -1.181775      2.224984
  C      -8.086638     -1.786327      1.760085
  C      -7.913724     -2.015217      0.373368
  C      -6.757256     -2.629510     -0.060796
  C      -5.778877     -3.005388      0.888636
  N      -5.898853     -2.805031      2.195196
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  H      -4.435108      5.396816      3.699753
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  H      -7.535685      1.232824     -0.536231
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  H      -3.048646     -0.995583      4.488818
  H      -0.856724     -0.163856      2.529009
  H      -2.484566      0.536582      2.426209
  H      -3.501212     -1.753158      2.349022
  H      -1.873688     -2.482105      2.443068
  H      -5.563160      1.233446      0.115113
  H      -4.573066      0.141131     -4.289694
  H      -2.831317     -1.386478     -5.297704
  H      -1.275021     -2.613041     -3.780605
  H      -6.415753      0.241960      5.579983
  H      -6.815531      0.485238      7.287575
  H      -4.590843     -1.454629      6.496661
  H      -5.544240     -1.439913      7.988486
  H      -7.599538     -2.052625      6.502552
  H      -6.325720     -3.300700      6.693052
  H     -10.177706     -0.524344      3.926649
  H      -8.702426     -1.703268     -0.312488
  H      -6.584418     -2.827217     -1.120292
  H      -4.854438     -3.488779      0.553351
  N      -4.809950      1.255696      3.838342
  N      -5.523586      0.784785      2.861687
  H      -6.304075      1.372119      2.504418
  H      -4.997391      0.244346      2.146285
99
Coordinates from ORCA-job orca E -6533.009276889406
  N      -3.942427      3.798499      4.937308
  Mo     -3.845219      1.837977      5.189065
  N      -4.918008      1.134578      6.679372
  C      -4.406441      1.301416      8.039595
  C      -3.544536      2.554204      8.119744
  N      -2.613229      2.596890      6.962832
  C      -2.187208      3.976370      6.619160
  C      -3.323940      4.693799      5.920432
  C      -1.441362      1.697385      7.131669
  C      -0.990495      1.221202      5.757843
  N      -2.176248      0.813723      5.014875
  H      -2.928702      5.593742      5.412479
  H      -4.069600      5.054449      6.653536
  H      -1.337723      3.887796      5.930201
  H      -1.846720      4.518450      7.517058
  H      -0.299331      0.370842      5.871738
  H      -0.435321      2.013168      5.229220
  H      -1.764898      0.830384      7.716374
  H      -0.642370      2.212098      7.684840
  H      -5.247292      1.396661      8.748854
  H      -3.830777      0.410928      8.356204
  H      -4.191264      3.439674      8.051628
  H      -2.987621      2.608004      9.069552
  C      -4.879483      4.492679      4.041744
  C      -6.220353      4.869893      4.691799
  C      -7.087928      3.687897      5.082126
  O      -7.434472      2.948386      3.880870
  C      -8.729721      2.810610      3.553960
  N      -9.691806      3.160073      4.384064
  C     -10.976113      3.000087      3.957313
  N     -11.388107      2.559054      2.786869
  C     -10.398038      2.204801      1.910975
  C     -10.731841      1.753901      0.613164
  C      -9.712992      1.411389     -0.246580
  C      -8.373909      1.491486      0.196704
  N      -8.015215      1.905582      1.406013
  C      -9.015127      2.277015      2.247978
  C      -2.135450     -0.463893      4.305078
  C      -1.937004     -0.340008      2.788472
  C      -2.457521     -1.601474      2.119370
  O      -2.278449     -1.607212      0.677435
  C      -3.119601     -0.906641     -0.070732
  N      -4.050660     -0.131015      0.464047
  C      -4.848050      0.561029     -0.393063
  N      -4.853543      0.529929     -1.705334
  C      -3.915689     -0.291945     -2.276111
  C      -3.835921     -0.417268     -3.681996
  C      -2.864197     -1.239400     -4.217383
  C      -1.983914     -1.930260     -3.350043
  N      -2.031220     -1.844064     -2.028206
  C      -2.984900     -1.037569     -1.499864
  C      -6.029935      0.192301      6.570027
  C      -5.615439     -1.257531      6.882933
  C      -6.557435     -2.290849      6.289942
  O      -6.327114     -2.381529      4.853961
  C      -7.272620     -1.973901      4.005429
  N      -8.374574     -1.378485      4.427162
  C      -9.290348     -1.021720      3.487297
  N      -9.223854     -1.202163      2.185823
  C      -8.078563     -1.806995      1.733364
  C      -7.896844     -2.043662      0.351002
  C      -6.731098     -2.639657     -0.073569
  C      -5.753038     -2.992871      0.881184
  N      -5.882097     -2.792608      2.184936
  C      -7.030979     -2.213538      2.605782
  H      -4.389004      5.419745      3.676364
  H      -5.069691      3.854477      3.163499
  H      -6.049401      5.472643      5.596177
  H      -6.780289      5.511476      3.993329
  H      -8.009482      3.999654      5.584159
  H      -6.547530      2.983590      5.724420
  H     -11.747666      3.283952      4.679268
  H     -11.785221      1.693801      0.331910
  H      -9.920806      1.069078     -1.259986
  H      -7.570376      1.199137     -0.483845
  H      -1.339757     -1.088943      4.744441
  H      -3.083598     -0.994211      4.489325
  H      -0.877238     -0.169614      2.538658
  H      -2.512667      0.524295      2.427523
  H      -3.521584     -1.754904      2.345460
  H      -1.901039     -2.487433      2.446729
  H      -5.566408      1.226577      0.093464
  H      -4.539002      0.142870     -4.301996
  H      -2.763104     -1.363720     -5.295914
  H      -1.208089     -2.582982     -3.766759
  H      -6.426308      0.247501      5.546972
  H      -6.849486      0.497195      7.252910
  H      -4.601365     -1.436396      6.486294
  H      -5.566574     -1.423130      7.970344
  H      -7.614907     -2.055979      6.476622
  H      -6.327763     -3.296334      6.670394
  H     -10.189308     -0.519725      3.872476
  H      -8.685553     -1.745510     -0.340107
  H      -6.550162     -2.835331     -1.130634
  H      -4.820890     -3.457071      0.552905
  N      -4.815374      1.268899      3.827892
  N      -5.532728      0.799301      2.853277
  H      -6.305650      1.390751      2.489115
  H      -5.004274      0.240604      2.143609
99
Coordinates from ORCA-job orca E -6533.009634009560
  N      -3.949735      3.796834      4.938615
  Mo     -3.850089      1.836243      5.184782
  N      -4.914013      1.129115      6.677633
  C      -4.400112      1.297935      8.037039
  C      -3.543835      2.553474      8.115471
  N      -2.614882      2.597771      6.956335
  C      -2.190960      3.978261      6.611801
  C      -3.330210      4.694252      5.914744
  C      -1.442689      1.696736      7.125997
  C      -0.990823      1.228466      5.747870
  N      -2.177827      0.817555      5.001796
  H      -2.938884      5.592355      5.403705
  H      -4.073438      5.056859      6.648478
  H      -1.341334      3.890807      5.921761
  H      -1.850940      4.520945      7.509524
  H      -0.295717      0.380770      5.858840
  H      -0.437047      2.026971      5.221152
  H      -1.771475      0.824181      7.707922
  H      -0.640474      2.208492      7.686157
  H      -5.240090      1.392083      8.748168
  H      -3.821118      0.409242      8.353206
  H      -4.194127      3.436479      8.049595
  H      -2.985249      2.608948      9.064452
  C      -4.890946      4.486489      4.048295
  C      -6.226707      4.867583      4.704940
  C      -7.092670      3.683657      5.096891
  O      -7.441153      2.943193      3.891629
  C      -8.732661      2.812166      3.558648
  N      -9.696079      3.169019      4.383659
  C     -10.976085      3.016851      3.949925
  N     -11.382064      2.575505      2.777768
  C     -10.389791      2.212788      1.907278
  C     -10.716217      1.760838      0.608210
  C      -9.694289      1.411381     -0.245376
  C      -8.358738      1.488842      0.204885
  N      -8.006826      1.904320      1.415227
  C      -9.010786      2.278882      2.251732
  C      -2.136988     -0.465767      4.293958
  C      -1.927866     -0.346696      2.778366
  C      -2.455573     -1.607541      2.109863
  O      -2.275390     -1.614067      0.668579
  C      -3.114123     -0.906299     -0.078472
  N      -4.044002     -0.127281      0.457993
  C      -4.837121      0.572744     -0.397395
  N      -4.837585      0.548336     -1.710134
  C      -3.903543     -0.277540     -2.282912
  C      -3.822639     -0.398149     -3.689994
  C      -2.863529     -1.229261     -4.227127
  C      -1.992423     -1.931529     -3.360610
  N      -2.036960     -1.847822     -2.038052
  C      -2.980099     -1.033587     -1.507883
  C      -6.030780      0.197961      6.574423
  C      -5.625957     -1.250678      6.897740
  C      -6.568494     -2.281598      6.303983
  O      -6.333097     -2.381089      4.867373
  C      -7.277489     -1.977297      4.014769
  N      -8.382505     -1.388362      4.434159
  C      -9.298391     -1.038673      3.492493
  N      -9.229757     -1.221275      2.190988
  C      -8.081290     -1.818425      1.739849
  C      -7.896704     -2.056037      0.357457
  C      -6.727918     -2.650856     -0.064230
  C      -5.749645     -3.000962      0.892948
  N      -5.881133     -2.795876      2.196288
  C      -7.032891     -2.218233      2.614785
  H      -4.406232      5.407807      3.676092
  H      -5.083524      3.844836      3.178108
  H      -6.050831      5.471080      5.609754
  H      -6.789537      5.510601      4.008173
  H      -8.013433      3.997443      5.600697
  H      -6.550026      2.975818      5.739935
  H     -11.749362      3.307351      4.667677
  H     -11.766515      1.705062      0.321285
  H      -9.896679      1.066974     -1.259210
  H      -7.552199      1.192278     -0.470102
  H      -1.346195     -1.091260      4.740841
  H      -3.085775     -0.997752      4.472995
  H      -0.867249     -0.190206      2.533079
  H      -2.489209      0.524455      2.415161
  H      -3.522523     -1.757169      2.335275
  H      -1.901707     -2.497538      2.438002
  H      -5.551064      1.241949      0.090480
  H      -4.517815      0.171182     -4.309352
  H      -2.764707     -1.352112     -5.306566
  H      -1.227457     -2.591929     -3.778734
  H      -6.427207      0.252118      5.551848
  H      -6.844733      0.512532      7.255280
  H      -4.612827     -1.437157      6.506574
  H      -5.583147     -1.409556      7.986716
  H      -7.623313     -2.040033      6.484698
  H      -6.345425     -3.285069      6.690313
  H     -10.199420     -0.546013      3.876464
  H      -8.686251     -1.762768     -0.335063
  H      -6.545319     -2.852137     -1.120138
  H      -4.815879     -3.468803      0.567464
  N      -4.823269      1.265411      3.824100
  N      -5.538513      0.793012      2.850011
  H      -6.314523      1.382626      2.484549
  H      -5.012349      0.242892      2.141450
99
Coordinates from ORCA-job orca E -6533.009627171165
  N      -3.954861      3.798249      4.937477
  Mo     -3.846173      1.838927      5.181157
  N      -4.907009      1.124207      6.672485
  C      -4.394124      1.294043      8.034126
  C      -3.543639      2.552259      8.116187
  N      -2.614549      2.604111      6.956513
  C      -2.197618      3.986278      6.616383
  C      -3.338870      4.697868      5.914536
  C      -1.438194      1.710312      7.123119
  C      -0.984140      1.246913      5.742553
  N      -2.168750      0.828925      4.996764
  H      -2.947851      5.594864      5.402438
  H      -4.086796      5.061123      6.647374
  H      -1.343502      3.903976      5.928724
  H      -1.863770      4.528792      7.518136
  H      -0.282346      0.406267      5.849304
  H      -0.438891      2.048684      5.216574
  H      -1.761263      0.837576      7.702603
  H      -0.639880      2.225122      7.683346
  H      -5.236077      1.385226      8.745208
  H      -3.811575      0.407509      8.350665
  H      -4.198514      3.431689      8.053571
  H      -2.985574      2.607592      9.066943
  C      -4.893489      4.485838      4.045483
  C      -6.229739      4.868962      4.701841
  C      -7.090151      3.684372      5.099965
  O      -7.429529      2.938986      3.892122
  C      -8.718386      2.803925      3.556319
  N      -9.686826      3.151210      4.379196
  C     -10.965299      2.990131      3.941968
  N     -11.365561      2.548125      2.768545
  C     -10.368181      2.195050      1.900500
  C     -10.689393      1.737644      0.601007
  C      -9.662910      1.392704     -0.248254
  C      -8.328233      1.479759      0.206096
  N      -7.980916      1.902053      1.417304
  C      -8.989650      2.272043      2.249255
  C      -2.123548     -0.457978      4.297209
  C      -1.907440     -0.349268      2.780177
  C      -2.449395     -1.606501      2.114460
  O      -2.268429     -1.622344      0.672222
  C      -3.098510     -0.907440     -0.080780
  N      -4.020956     -0.117980      0.451515
  C      -4.803522      0.590538     -0.407103
  N      -4.800218      0.565797     -1.719851
  C      -3.872994     -0.270112     -2.288377
  C      -3.786787     -0.389788     -3.694451
  C      -2.833068     -1.229668     -4.228250
  C      -1.974117     -1.942449     -3.359125
  N      -2.023943     -1.860177     -2.036900
  C      -2.961011     -1.036641     -1.509958
  C      -6.024610      0.189794      6.569830
  C      -5.617873     -1.260024      6.886623
  C      -6.566355     -2.287806      6.300949
  O      -6.347940     -2.375807      4.861945
  C      -7.309264     -1.974736      4.027570
  N      -8.414208     -1.406593      4.470559
  C      -9.350569     -1.063899      3.547250
  N      -9.300943     -1.236255      2.242096
  C      -8.153036     -1.810683      1.766092
  C      -7.988022     -2.035228      0.377831
  C      -6.818409     -2.615291     -0.068764
  C      -5.820321     -2.963864      0.870763
  N      -5.933523     -2.769201      2.178559
  C      -7.085304     -2.204612      2.621036
  H      -4.407453      5.403216      3.669674
  H      -5.085545      3.841696      3.178549
  H      -6.056495      5.478712      5.603818
  H      -6.793589      5.503848      4.002334
  H      -8.012523      3.996684      5.602110
  H      -6.546788      2.981399      5.748079
  H     -11.743283      3.270865      4.658296
  H     -11.740064      1.671095      0.311256
  H      -9.861293      1.040686     -1.261914
  H      -7.518520      1.182964     -0.464864
  H      -1.334082     -1.080092      4.750791
  H      -3.072706     -0.989246      4.477410
  H      -0.843183     -0.209560      2.538359
  H      -2.454762      0.527911      2.409798
  H      -3.517902     -1.743834      2.338719
  H      -1.906351     -2.501246      2.447748
  H      -5.514915      1.266271      0.077982
  H      -4.472723      0.187846     -4.315142
  H      -2.729568     -1.351686     -5.306875
  H      -1.213696     -2.609898     -3.774775
  H      -6.423151      0.245696      5.551399
  H      -6.836902      0.500991      7.253175
  H      -4.607147     -1.443269      6.485561
  H      -5.567549     -1.424391      7.974468
  H      -7.618862     -2.050024      6.496008
  H      -6.338590     -3.292503      6.680146
  H     -10.251179     -0.593892      3.951745
  H      -8.793035     -1.747095     -0.299475
  H      -6.650585     -2.807078     -1.130088
  H      -4.884979     -3.418876      0.526021
  N      -4.813072      1.264881      3.814549
  N      -5.521173      0.789214      2.835947
  H      -6.300395      1.372702      2.463219
  H      -4.989583      0.239275      2.131129
99
Coordinates from ORCA-job orca E -6533.009733464683
  N      -3.946098      3.801274      4.925723
  Mo     -3.853304      1.840538      5.172516
  N      -4.922639      1.137664      6.663342
  C      -4.414957      1.311387      8.025597
  C      -3.553796      2.563185      8.102944
  N      -2.619527      2.599478      6.946699
  C      -2.186698      3.976373      6.600025
  C      -3.319617      4.698160      5.896692
  C      -1.453316      1.692094      7.122084
  C      -0.997756      1.220304      5.745677
  N      -2.183996      0.815200      4.995025
  H      -2.919936      5.588860      5.380629
  H      -4.061046      5.072924      6.627571
  H      -1.334328      3.881246      5.913022
  H      -1.846741      4.519511      7.498064
  H      -0.307127      0.369468      5.859289
  H      -0.438017      2.015037      5.220429
  H      -1.789896      0.822961      7.702568
  H      -0.651282      2.199081      7.685209
  H      -5.259258      1.413775      8.732191
  H      -3.841470      0.421284      8.350051
  H      -4.200401      3.449034      8.031928
  H      -2.999042      2.618974      9.054958
  C      -4.883441      4.493021      4.035214
  C      -6.214152      4.888439      4.694364
  C      -7.078404      3.711866      5.110948
  O      -7.428424      2.950690      3.916694
  C      -8.719470      2.809353      3.591509
  N      -9.682212      3.166719      4.416802
  C     -10.962437      3.003038      3.988233
  N     -11.369776      2.551022      2.820505
  C     -10.378325      2.187488      1.949736
  C     -10.705604      1.724175      0.654497
  C      -9.684055      1.371960     -0.198129
  C      -8.347966      1.456794      0.249380
  N      -7.995538      1.884768      1.455925
  C      -8.999033      2.263042      2.290928
  C      -2.147295     -0.470282      4.291626
  C      -1.923675     -0.358723      2.777147
  C      -2.459351     -1.615365      2.106415
  O      -2.271489     -1.624304      0.665525
  C      -3.098914     -0.907543     -0.086843
  N      -4.028733     -0.125420      0.444765
  C      -4.809575      0.584141     -0.414809
  N      -4.797713      0.567161     -1.727678
  C      -3.862552     -0.261125     -2.295573
  C      -3.766721     -0.372485     -3.702292
  C      -2.806080     -1.205353     -4.234676
  C      -1.949048     -1.919121     -3.363760
  N      -2.007574     -1.844320     -2.041277
  C      -2.951681     -1.027900     -1.515698
  C      -6.040528      0.205280      6.558953
  C      -5.637507     -1.242956      6.886872
  C      -6.580952     -2.272729      6.296257
  O      -6.349576     -2.366936      4.859325
  C      -7.304613     -1.975439      4.013097
  N      -8.415746     -1.406783      4.440732
  C      -9.344753     -1.074336      3.506158
  N      -9.283462     -1.258206      2.203718
  C      -8.128331     -1.832346      1.743572
  C      -7.950282     -2.067401      0.359280
  C      -6.773846     -2.643394     -0.071482
  C      -5.781916     -2.977849      0.879213
  N      -5.907385     -2.773666      2.183827
  C      -7.066120     -2.213289      2.611011
  H      -4.393338      5.405680      3.654202
  H      -5.083925      3.847177      3.171923
  H      -6.033028      5.507078      5.588160
  H      -6.779457      5.519091      3.990156
  H      -7.997691      4.035011      5.612029
  H      -6.534216      3.015595      5.766102
  H     -11.735253      3.291989      4.706666
  H     -11.756515      1.660609      0.370075
  H      -9.887368      1.017519     -1.208666
  H      -7.541478      1.155222     -0.423148
  H      -1.365379     -1.100908      4.747708
  H      -3.102119     -0.993520      4.464268
  H      -0.859119     -0.215682      2.541133
  H      -2.471362      0.517507      2.406140
  H      -3.528356     -1.755551      2.326321
  H      -1.915440     -2.509783      2.438189
  H      -5.523698      1.256169      0.069184
  H      -4.451466      0.205525     -4.324730
  H      -2.695486     -1.320964     -5.313643
  H      -1.183046     -2.581037     -3.778176
  H      -6.431756      0.256069      5.535990
  H      -6.857392      0.521927      7.235162
  H      -4.623678     -1.429800      6.496408
  H      -5.597188     -1.400622      7.975773
  H      -7.634954     -2.032652      6.480922
  H      -6.356940     -3.276103      6.680289
  H     -10.250408     -0.602335      3.897694
  H      -8.751236     -1.789156     -0.327361
  H      -6.596016     -2.843098     -1.129081
  H      -4.841818     -3.430516      0.546933
  N      -4.824032      1.269818      3.809199
  N      -5.537407      0.796038      2.834309
  H      -6.312749      1.384641      2.461519
  H      -5.010370      0.235918      2.131920
99
Coordinates from ORCA-job orca E -6533.009708808014
  N      -3.956143      3.800434      4.928252
  Mo     -3.859049      1.839078      5.168428
  N      -4.920477      1.129507      6.660878
  C      -4.405301      1.296019      8.019525
  C      -3.547909      2.550085      8.100762
  N      -2.619960      2.596686      6.941536
  C      -2.194164      3.976653      6.602146
  C      -3.331005      4.695257      5.904596
  C      -1.450430      1.692594      7.108723
  C      -0.999163      1.231686      5.727992
  N      -2.186424      0.821677      4.981004
  H      -2.934836      5.591169      5.392587
  H      -4.071836      5.063183      6.638703
  H      -1.342963      3.890918      5.914365
  H      -1.855716      4.516349      7.502463
  H      -0.301676      0.385780      5.833495
  H      -0.448592      2.034035      5.204207
  H      -1.783980      0.817221      7.684271
  H      -0.647290      2.198495      7.674339
  H      -5.243586      1.390270      8.730552
  H      -3.828639      0.407030      8.333194
  H      -4.197367      3.433363      8.039259
  H      -2.988433      2.601852      9.049434
  C      -4.888287      4.498192      4.034379
  C      -6.218844      4.898851      4.690181
  C      -7.088490      3.726656      5.108546
  O      -7.434048      2.960594      3.919210
  C      -8.724427      2.813509      3.592591
  N      -9.689531      3.168774      4.416351
  C     -10.968282      3.002878      3.984144
  N     -11.371749      2.552214      2.813986
  C     -10.377471      2.191508      1.944645
  C     -10.699158      1.731022      0.646922
  C      -9.673960      1.381507     -0.203191
  C      -8.339679      1.466966      0.249292
  N      -7.992741      1.892932      1.457906
  C      -8.999748      2.267767      2.290206
  C      -2.148940     -0.469657      4.287256
  C      -1.919536     -0.370189      2.771935
  C      -2.472440     -1.621792      2.107814
  O      -2.285818     -1.637013      0.667280
  C      -3.104576     -0.910565     -0.085701
  N      -4.026694     -0.119080      0.445646
  C      -4.797053      0.601302     -0.413316
  N      -4.782056      0.587017     -1.726032
  C      -3.856417     -0.251020     -2.293923
  C      -3.760849     -0.361431     -3.700732
  C      -2.810118     -1.204531     -4.233332
  C      -1.962297     -1.929255     -3.362498
  N      -2.021321     -1.855996     -2.040032
  C      -2.956210     -1.029773     -1.514289
  C      -6.040954      0.202805      6.560411
  C      -5.640596     -1.244338      6.897580
  C      -6.582036     -2.278742      6.307435
  O      -6.349810     -2.377950      4.869927
  C      -7.303356     -1.987439      4.021289
  N      -8.414982     -1.414360      4.445929
  C      -9.341442     -1.079333      3.509309
  N      -9.278081     -1.263954      2.207787
  C      -8.121540     -1.841298      1.750821
  C      -7.939955     -2.075886      0.367655
  C      -6.761533     -2.646826     -0.060503
  C      -5.771610     -2.978045      0.891225
  N      -5.900726     -2.777367      2.195339
  C      -7.061144     -2.222247      2.620211
  H      -4.390317      5.412577      3.656260
  H      -5.091061      3.854170      3.166189
  H      -6.036219      5.518401      5.582875
  H      -6.781542      5.530746      3.982982
  H      -8.010122      4.053874      5.601975
  H      -6.548727      3.033418      5.769798
  H     -11.743248      3.288821      4.702105
  H     -11.748742      1.667113      0.358866
  H      -9.872608      1.028603     -1.215368
  H      -7.530061      1.167485     -0.420713
  H      -1.368999     -1.096067      4.751248
  H      -3.103575     -0.992784      4.460542
  H      -0.851585     -0.246893      2.536280
  H      -2.452313      0.514158      2.393862
  H      -3.542287     -1.748409      2.329605
  H      -1.939373     -2.521464      2.442250
  H      -5.507390      1.278674      0.071169
  H      -4.438693      0.225036     -4.322752
  H      -2.700185     -1.320015     -5.312373
  H      -1.203969     -2.599271     -3.776994
  H      -6.431259      0.250161      5.535803
  H      -6.856532      0.526294      7.234248
  H      -4.625666     -1.433997      6.512508
  H      -5.603678     -1.395656      7.988019
  H      -7.637168     -2.039490      6.489436
  H      -6.355963     -3.281542      6.695350
  H     -10.246962     -0.598912      3.897629
  H      -8.739567     -1.799129     -0.319958
  H      -6.580580     -2.845037     -1.117100
  H      -4.830469     -3.426374      0.560600
  N      -4.831529      1.269421      3.806210
  N      -5.538490      0.790074      2.829558
  H      -6.319506      1.371168      2.453617
  H      -5.006352      0.235455      2.131717
99
Coordinates from ORCA-job orca E -6533.009774025785
  N      -3.949857      3.802518      4.923320
  Mo     -3.857860      1.841247      5.168029
  N      -4.925362      1.136553      6.659027
  C      -4.415740      1.307545      8.020186
  C      -3.554225      2.559011      8.099087
  N      -2.621621      2.597695      6.942333
  C      -2.189311      3.975053      6.598466
  C      -3.322175      4.697430      5.896431
  C      -1.455785      1.689705      7.114802
  C      -1.001366      1.222391      5.737009
  N      -2.187974      0.817530      4.986775
  H      -2.921784      5.589216      5.381857
  H      -4.062815      5.071300      6.628275
  H      -1.336915      3.882091      5.911943
  H      -1.849912      4.516649      7.497496
  H      -0.308885      0.372674      5.847050
  H      -0.444247      2.019691      5.213134
  H      -1.793140      0.818494      7.691849
  H      -0.653496      2.194260      7.680038
  H      -5.258201      1.408386      8.727706
  H      -3.842659      0.417127      8.341421
  H      -4.200589      3.444771      8.030867
  H      -2.998214      2.612738      9.050101
  C      -4.883570      4.498600      4.031775
  C      -6.212594      4.900562      4.690065
  C      -7.080534      3.728925      5.113208
  O      -7.430019      2.960271      3.924311
  C      -8.720858      2.812664      3.601742
  N      -9.683904      3.168505      4.427276
  C     -10.963896      3.000349      3.999579
  N     -11.370666      2.547294      2.832011
  C     -10.378941      2.185255      1.960956
  C     -10.705242      1.720703      0.665487
  C      -9.683075      1.368811     -0.186906
  C      -8.347200      1.455065      0.261188
  N      -7.996056      1.884635      1.467815
  C      -9.000045      2.262783      2.302243
  C      -2.152842     -0.470931      4.287854
  C      -1.922571     -0.366943      2.773369
  C      -2.466684     -1.621303      2.105655
  O      -2.278137     -1.633881      0.665086
  C      -3.099578     -0.911336     -0.088951
  N      -4.026356     -0.124876      0.440872
  C      -4.799200      0.591537     -0.419854
  N      -4.782095      0.577690     -1.732628
  C      -3.850623     -0.255179     -2.298852
  C      -3.750425     -0.363957     -3.705439
  C      -2.792704     -1.201075     -4.236227
  C      -1.943118     -1.921821     -3.363797
  N      -2.006358     -1.849972     -2.041415
  C      -2.947715     -1.029364     -1.517431
  C      -6.043848      0.205608      6.555717
  C      -5.641437     -1.241794      6.889285
  C      -6.583179     -2.274868      6.299366
  O      -6.351592     -2.371255      4.862293
  C      -7.306543     -1.981599      4.015061
  N      -8.418099     -1.411357      4.441380
  C      -9.346692     -1.079359      3.506178
  N      -9.285149     -1.264804      2.204201
  C      -8.128936     -1.839262      1.745458
  C      -7.949626     -2.074063      0.361564
  C      -6.771483     -2.645393     -0.068450
  C      -5.779446     -2.976487      0.882533
  N      -5.906354     -2.774191      2.187096
  C      -7.066567     -2.218210      2.613552
  H      -4.388368      5.409791      3.650647
  H      -5.087670      3.853494      3.167815
  H      -6.028504      5.522560      5.580798
  H      -6.776871      5.529970      3.982943
  H      -8.000426      4.057896      5.609221
  H      -6.539103      3.036295      5.774840
  H     -11.736754      3.287356      4.718676
  H     -11.756077      1.655121      0.380937
  H      -9.885741      1.012630     -1.197506
  H      -7.539797      1.153362     -0.410461
  H      -1.374997     -1.102102      4.750169
  H      -3.109669     -0.991033      4.458295
  H      -0.855805     -0.235451      2.540098
  H      -2.460653      0.513417      2.396910
  H      -3.536597     -1.754562      2.325881
  H      -1.928319     -2.518514      2.439294
  H      -5.511800      1.266544      0.062813
  H      -4.429712      0.219270     -4.328736
  H      -2.678710     -1.314800     -5.315022
  H      -1.179282     -2.587088     -3.776827
  H      -6.432784      0.253526      5.531616
  H      -6.861482      0.525260      7.229143
  H      -4.626438     -1.429260      6.502119
  H      -5.603487     -1.395973      7.979000
  H      -7.638222     -2.036153      6.482882
  H      -6.357179     -3.277940      6.685384
  H     -10.252068     -0.601870      3.896166
  H      -8.750952     -1.798161     -0.325203
  H      -6.592380     -2.844037     -1.125831
  H      -4.838218     -3.425615      0.550791
  N      -4.828671      1.271515      3.804708
  N      -5.538483      0.795676      2.828479
  H      -6.317280      1.379859      2.454128
  H      -5.009599      0.235318      2.130226
99
Coordinates from ORCA-job orca E -6533.009787766676
  N      -3.950138      3.803223      4.921975
  Mo     -3.858276      1.842205      5.166769
  N      -4.926073      1.137082      6.657479
  C      -4.417320      1.308887      8.019194
  C      -3.555508      2.560053      8.097770
  N      -2.622026      2.597870      6.941300
  C      -2.189321      3.975070      6.597048
  C      -3.322122      4.697710      5.895029
  C      -1.456895      1.688752      7.114271
  C      -1.001615      1.222543      5.736088
  N      -2.188180      0.818367      4.985139
  H      -2.921797      5.589225      5.380594
  H      -4.062559      5.071788      6.626940
  H      -1.336862      3.881579      5.910583
  H      -1.849962      4.516983      7.495937
  H      -0.309046      0.372687      5.845596
  H      -0.444059      2.020383      5.212878
  H      -1.796156      0.816956      7.690085
  H      -0.654513      2.191888      7.681288
  H      -5.260541      1.410699      8.726330
  H      -3.844518      0.418284      8.341617
  H      -4.201643      3.446118      8.028443
  H      -3.000099      2.614067      9.049336
  C      -4.883122      4.500249      4.030632
  C      -6.212185      4.902690      4.689157
  C      -7.080058      3.731985      5.113841
  O      -7.429172      2.961893      3.925393
  C      -8.720316      2.812075      3.605089
  N      -9.682631      3.166371      4.432147
  C     -10.963114      2.997106      4.006214
  N     -11.371224      2.544658      2.838814
  C     -10.380320      2.184158      1.966204
  C     -10.707613      1.721194      0.670658
  C      -9.686179      1.370283     -0.182910
  C      -8.349956      1.455354      0.264092
  N      -7.997957      1.884225      1.470624
  C      -9.000974      2.262317      2.305995
  C      -2.153521     -0.469943      4.287569
  C      -1.921950     -0.368273      2.773194
  C      -2.466944     -1.622623      2.106518
  O      -2.278177     -1.636837      0.665875
  C      -3.097689     -0.913258     -0.088809
  N      -4.025533     -0.127239      0.440318
  C      -4.797700      0.589826     -0.420938
  N      -4.778810      0.577026     -1.733756
  C      -3.845999     -0.255424     -2.299316
  C      -3.744024     -0.363243     -3.705841
  C      -2.786135     -1.200480     -4.236019
  C      -1.938133     -1.922376     -3.362996
  N      -2.002766     -1.851417     -2.040601
  C      -2.944133     -1.030532     -1.517213
  C      -6.044070      0.205067      6.553782
  C      -5.641542     -1.242263      6.887224
  C      -6.583536     -2.274653      6.297957
  O      -6.352537     -2.371495      4.860971
  C      -7.307289     -1.980674      4.014157
  N      -8.418497     -1.411254      4.441028
  C      -9.347311     -1.079212      3.506281
  N      -9.286115     -1.264560      2.203989
  C      -8.130412     -1.838203      1.744618
  C      -7.951538     -2.072636      0.360395
  C      -6.773810     -2.645829     -0.069977
  C      -5.781690     -2.978771      0.881019
  N      -5.908125     -2.775761      2.185636
  C      -7.067954     -2.217871      2.612456
  H      -4.387226      5.411382      3.649967
  H      -5.087585      3.855711      3.166029
  H      -6.028032      5.525410      5.579337
  H      -6.776341      5.531123      3.981865
  H      -7.999990      4.062024      5.609168
  H      -6.539281      3.040695      5.776844
  H     -11.735256      3.281997      4.726900
  H     -11.758579      1.655944      0.386993
  H      -9.889707      1.015618     -1.193470
  H      -7.543050      1.153777     -0.408113
  H      -1.376875     -1.101412      4.751169
  H      -3.111341     -0.988231      4.457771
  H      -0.854559     -0.237879      2.540506
  H      -2.459517      0.511933      2.394821
  H      -3.536490     -1.754416      2.326847
  H      -1.929824     -2.519670      2.440865
  H      -5.511657      1.264521      0.061075
  H      -4.422646      0.220503     -4.329550
  H      -2.671055     -1.313593     -5.314761
  H      -1.174441     -2.587888     -3.775532
  H      -6.432389      0.252644      5.529576
  H      -6.862476      0.524168      7.226696
  H      -4.626748     -1.429815      6.499685
  H      -5.603644     -1.396568      7.976810
  H      -7.637961     -2.035227      6.482025
  H      -6.358227     -3.277415      6.683759
  H     -10.252367     -0.605120      3.897264
  H      -8.753040     -1.795789     -0.326184
  H      -6.595188     -2.844827     -1.127508
  H      -4.840811     -3.429544      0.549109
  N      -4.828428      1.272389      3.802992
  N      -5.537318      0.797021      2.826067
  H      -6.317654      1.380018      2.452815
  H      -5.008490      0.232804      2.128816
99
Coordinates from ORCA-job orca E -6533.009812727048
  N      -3.948986      3.804703      4.916393
  Mo     -3.860518      1.844011      5.162944
  N      -4.931127      1.140516      6.652986
  C      -4.424225      1.312970      8.015466
  C      -3.559803      2.562263      8.093947
  N      -2.624631      2.596793      6.938629
  C      -2.188594      3.972815      6.593544
  C      -3.319467      4.697640      5.890293
  C      -1.462242      1.684661      7.112761
  C      -1.005202      1.218006      5.735221
  N      -2.191504      0.817248      4.982378
  H      -2.916871      5.588477      5.376455
  H      -4.059797      5.072984      6.622105
  H      -1.335580      3.876692      5.907948
  H      -1.849059      4.515063      7.492317
  H      -0.314201      0.366703      5.844658
  H      -0.445413      2.014804      5.213119
  H      -1.805153      0.813678      7.686261
  H      -0.660490      2.184671      7.682009
  H      -5.268328      1.417286      8.721269
  H      -3.853727      0.421539      8.339681
  H      -4.203793      3.449604      8.022096
  H      -3.005687      2.616324      9.046311
  C      -4.880167      4.504040      4.025781
  C      -6.207781      4.910510      4.685043
  C      -7.077187      3.743453      5.115777
  O      -7.427643      2.967654      3.930614
  C      -8.719251      2.811875      3.616459
  N      -9.679375      3.165195      4.446274
  C     -10.960952      2.992634      4.025144
  N     -11.372417      2.538747      2.859314
  C     -10.383927      2.178849      1.983856
  C     -10.714538      1.715331      0.689065
  C      -9.695365      1.364503     -0.167103
  C      -8.357889      1.449241      0.276707
  N      -8.003095      1.879109      1.482308
  C      -9.003578      2.258518      2.319777
  C      -2.160033     -0.471061      4.283843
  C      -1.921684     -0.371047      2.770217
  C      -2.464714     -1.626421      2.102811
  O      -2.274620     -1.641130      0.662298
  C      -3.092299     -0.916266     -0.094018
  N      -4.022667     -0.131969      0.432879
  C      -4.790868      0.587185     -0.430418
  N      -4.765462      0.578098     -1.743268
  C      -3.830242     -0.253087     -2.306575
  C      -3.720894     -0.357025     -3.712887
  C      -2.760389     -1.192871     -4.240750
  C      -1.917020     -1.917316     -3.365539
  N      -1.988374     -1.850033     -2.043191
  C      -2.932380     -1.030404     -1.522124
  C      -6.047830      0.206779      6.548557
  C      -5.644242     -1.239787      6.885074
  C      -6.586436     -2.273975      6.299272
  O      -6.357799     -2.373003      4.862197
  C      -7.312573     -1.981388      4.015945
  N      -8.422717     -1.410257      4.443098
  C      -9.351853     -1.078153      3.508678
  N      -9.291942     -1.265616      2.206247
  C      -8.137177     -1.840556      1.746712
  C      -7.959259     -2.076389      0.362258
  C      -6.781974     -2.650020     -0.068607
  C      -5.789296     -2.982048      0.882246
  N      -5.914847     -2.777981      2.187049
  C      -7.074301     -2.219827      2.614286
  H      -4.382268      5.413572      3.645077
  H      -5.087009      3.860397      3.161547
  H      -6.021154      5.535870      5.572985
  H      -6.771628      5.537517      3.976478
  H      -7.996627      4.078319      5.608934
  H      -6.538352      3.055016      5.783441
  H     -11.730851      3.275934      4.748614
  H     -11.766266      1.649331      0.408064
  H      -9.901938      1.009495     -1.177040
  H      -7.552242      1.146583     -0.396527
  H      -1.389254     -1.107225      4.751097
  H      -3.121380     -0.984654      4.449378
  H      -0.853764     -0.241865      2.541264
  H      -2.457240      0.509043      2.389463
  H      -3.534617     -1.759060      2.322724
  H      -1.926732     -2.523026      2.437255
  H      -5.506195      1.261607      0.049169
  H      -4.396133      0.228386     -4.338120
  H      -2.639601     -1.302920     -5.319242
  H      -1.151032     -2.581698     -3.776092
  H      -6.433856      0.252116      5.523391
  H      -6.868405      0.525659      7.219041
  H      -4.629595     -1.427462      6.497235
  H      -5.605629     -1.391907      7.975167
  H      -7.640703     -2.034798      6.484786
  H      -6.360070     -3.276131      6.686353
  H     -10.255741     -0.602529      3.900117
  H      -8.761242     -1.799763     -0.324148
  H      -6.604060     -2.849732     -1.126412
  H      -4.848722     -3.432755      0.549914
  N      -4.828737      1.274170      3.797480
  N      -5.536212      0.801128      2.818788
  H      -6.319495      1.381844      2.447663
  H      -5.009984      0.232353      2.123876
99
Coordinates from ORCA-job orca E -6533.009826798843
  N      -3.953406      3.807949      4.913086
  Mo     -3.866458      1.846585      5.159688
  N      -4.934518      1.140298      6.650444
  C      -4.425719      1.311213      8.012464
  C      -3.559937      2.559832      8.090776
  N      -2.626369      2.595544      6.934048
  C      -2.190817      3.972187      6.589860
  C      -3.322939      4.698066      5.888640
  C      -1.465005      1.681416      7.103974
  C      -1.009582      1.221679      5.723927
  N      -2.196721      0.821531      4.972009
  H      -2.921579      5.590523      5.376879
  H      -4.062472      5.070857      6.622154
  H      -1.337789      3.877329      5.903661
  H      -1.851210      4.513898      7.488872
  H      -0.315648      0.372062      5.827494
  H      -0.453668      2.022492      5.203776
  H      -1.810078      0.807221      7.671690
  H      -0.662848      2.176779      7.677023
  H      -5.268806      1.415590      8.719749
  H      -3.855491      0.418778      8.335041
  H      -4.203458      3.447719      8.020709
  H      -3.004395      2.612403      9.042276
  C      -4.882934      4.511048      4.024999
  C      -6.207959      4.922571      4.685796
  C      -7.081022      3.759603      5.119392
  O      -7.432245      2.979835      3.935771
  C      -8.724238      2.816570      3.627498
  N      -9.683701      3.163006      4.461219
  C     -10.965750      2.986362      4.043286
  N     -11.378455      2.537153      2.876457
  C     -10.391022      2.182993      1.997570
  C     -10.722728      1.722984      0.701396
  C      -9.704421      1.374150     -0.156818
  C      -8.366604      1.456965      0.286584
  N      -8.011104      1.884926      1.492861
  C      -9.010382      2.263416      2.331474
  C      -2.168380     -0.468894      4.280576
  C      -1.924782     -0.379721      2.766716
  C      -2.475380     -1.634824      2.105232
  O      -2.285614     -1.656311      0.664749
  C      -3.094360     -0.924840     -0.094239
  N      -4.021463     -0.136190      0.429497
  C      -4.779271      0.590577     -0.436234
  N      -4.747646      0.584544     -1.748968
  C      -3.816449     -0.251877     -2.309395
  C      -3.701920     -0.353922     -3.715475
  C      -2.742160     -1.193762     -4.240183
  C      -1.906243     -1.924764     -3.361921
  N      -1.984847     -1.860724     -2.039776
  C      -2.927484     -1.036763     -1.521890
  C      -6.049737      0.204508      6.545777
  C      -5.643962     -1.240988      6.883970
  C      -6.583867     -2.278065      6.299232
  O      -6.355346     -2.381276      4.862608
  C      -7.306973     -1.985291      4.014525
  N      -8.414769     -1.408076      4.440008
  C      -9.341470     -1.072966      3.504521
  N      -9.281533     -1.262566      2.202286
  C      -8.129180     -1.843579      1.744374
  C      -7.950961     -2.081482      0.360229
  C      -6.775443     -2.659726     -0.069107
  C      -5.784908     -2.994792      0.882911
  N      -5.910756     -2.789163      2.187411
  C      -7.068522     -2.226222      2.613199
  H      -4.382850      5.418626      3.645628
  H      -5.092835      3.869985      3.160820
  H      -6.017602      5.547889      5.573030
  H      -6.770479      5.551515      3.977506
  H      -8.000177      4.100949      5.609046
  H      -6.546156      3.071444      5.792183
  H     -11.734530      3.263592      4.770364
  H     -11.774866      1.656313      0.421244
  H      -9.912346      1.020500     -1.167568
  H      -7.561240      1.153238     -0.386611
  H      -1.401815     -1.106722      4.753845
  H      -3.132893     -0.975994      4.446077
  H      -0.854552     -0.260169      2.540137
  H      -2.453280      0.501478      2.378054
  H      -3.545481     -1.761010      2.326475
  H      -1.941747     -2.532645      2.443046
  H      -5.492481      1.268595      0.040253
  H      -4.372482      0.235919     -4.342913
  H      -2.616569     -1.302166     -5.318277
  H      -1.140623     -2.592298     -3.769727
  H      -6.433747      0.247463      5.519975
  H      -6.872678      0.522417      7.214097
  H      -4.628315     -1.427773      6.497134
  H      -5.606105     -1.391449      7.973823
  H      -7.639075     -2.040183      6.484530
  H      -6.355145     -3.279255      6.687560
  H     -10.242826     -0.589966      3.894623
  H      -8.751262     -1.802761     -0.326715
  H      -6.597324     -2.861342     -1.126389
  H      -4.846000     -3.450163      0.551853
  N      -4.834069      1.278394      3.792853
  N      -5.535330      0.805465      2.810395
  H      -6.327252      1.377257      2.442398
  H      -5.009151      0.232834      2.120712
99
Coordinates from ORCA-job orca E -6533.009840297561
  N      -3.950927      3.808604      4.909440
  Mo     -3.867380      1.847963      5.156586
  N      -4.938207      1.143861      6.646940
  C      -4.430026      1.314043      8.009041
  C      -3.561667      2.560681      8.087778
  N      -2.627441      2.593834      6.931968
  C      -2.188760      3.969325      6.588138
  C      -3.319591      4.696982      5.887743
  C      -1.468888      1.676752      7.103196
  C      -1.012548      1.215725      5.723870
  N      -2.199870      0.819029      4.970340
  H      -2.916643      5.590469      5.377799
  H      -4.059113      5.068972      6.622068
  H      -1.336561      3.873047      5.901906
  H      -1.847786      4.510370      7.487087
  H      -0.321031      0.364251      5.828191
  H      -0.453657      2.014990      5.204533
  H      -1.817751      0.803320      7.669473
  H      -0.666589      2.169402      7.678288
  H      -5.273115      1.420264      8.715522
  H      -3.862143      0.420750      8.332113
  H      -4.202877      3.449746      8.016576
  H      -3.006706      2.612754      9.039558
  C      -4.878789      4.514130      4.020596
  C      -6.204123      4.927463      4.680186
  C      -7.079001      3.768031      5.118065
  O      -7.431183      2.984543      3.939044
  C      -8.723511      2.815953      3.635702
  N      -9.681293      3.161947      4.471344
  C     -10.964245      2.982261      4.057230
  N     -11.379437      2.531646      2.891767
  C     -10.393852      2.177510      2.011016
  C     -10.727947      1.716890      0.715701
  C      -9.711396      1.367397     -0.144179
  C      -8.372804      1.449756      0.296939
  N      -8.015178      1.879188      1.501885
  C      -9.012537      2.259108      2.341917
  C      -2.175207     -0.471038      4.276263
  C      -1.925544     -0.380077      2.763631
  C      -2.471380     -1.636236      2.099004
  O      -2.278737     -1.655306      0.659077
  C      -3.087813     -0.923812     -0.100640
  N      -4.021000     -0.138761      0.421371
  C      -4.777286      0.588470     -0.446026
  N      -4.737927      0.586493     -1.758631
  C      -3.801151     -0.246725     -2.317004
  C      -3.679631     -0.344928     -3.722641
  C      -2.720103     -1.184307     -4.245704
  C      -1.889894     -1.917985     -3.366188
  N      -1.972487     -1.856294     -2.044170
  C      -2.915394     -1.032899     -1.527912
  C      -6.053073      0.209214      6.542720
  C      -5.648283     -1.235447      6.884467
  C      -6.589421     -2.274170      6.304142
  O      -6.362850     -2.382414      4.867194
  C      -7.314105     -1.986992      4.018496
  N      -8.421534     -1.408038      4.442969
  C      -9.347812     -1.074017      3.506607
  N      -9.287418     -1.265440      2.204493
  C      -8.135388     -1.847810      1.747693
  C      -7.956584     -2.087244      0.363603
  C      -6.781229     -2.665725     -0.064759
  C      -5.791245     -2.999360      0.888221
  N      -5.917575     -2.792528      2.192698
  C      -7.075306     -2.229592      2.617404
  H      -4.375655      5.423127      3.643416
  H      -5.089063      3.874448      3.153580
  H      -6.013395      5.554593      5.565536
  H      -6.765493      5.555218      3.970448
  H      -7.997839      4.112453      5.605773
  H      -6.546035      3.082848      5.793623
  H     -11.731392      3.259367      4.785902
  H     -11.780537      1.650160      0.437335
  H      -9.921661      1.013424     -1.154220
  H      -7.568377      1.143789     -0.376218
  H      -1.414470     -1.113853      4.751634
  H      -3.142648     -0.974481      4.436583
  H      -0.855417     -0.258563      2.540576
  H      -2.454041      0.500793      2.375290
  H      -3.542216     -1.765629      2.318521
  H      -1.935246     -2.533394      2.435849
  H      -5.496546      1.263842      0.028519
  H      -4.346500      0.246424     -4.351167
  H      -2.590911     -1.290679     -5.323528
  H      -1.125959     -2.585927     -3.772765
  H      -6.436359      0.251518      5.516829
  H      -6.875697      0.527844      7.209805
  H      -4.633647     -1.424249      6.496829
  H      -5.608706     -1.382578      7.975067
  H      -7.644144     -2.035468      6.490177
  H      -6.360267     -3.274374      6.695640
  H     -10.249087     -0.588739      3.895813
  H      -8.756188     -1.808999     -0.324390
  H      -6.602774     -2.868437     -1.121980
  H      -4.852402     -3.454716      0.557765
  N      -4.833994      1.279922      3.788579
  N      -5.533600      0.808317      2.804803
  H      -6.327704      1.377729      2.438416
  H      -5.010268      0.232640      2.116032
99
Coordinates from ORCA-job orca E -6533.009850723432
  N      -3.951172      3.807313      4.910429
  Mo     -3.867362      1.846728      5.156461
  N      -4.937344      1.143361      6.647570
  C      -4.428173      1.313999      8.009230
  C      -3.560390      2.560937      8.087391
  N      -2.626914      2.594065      6.930899
  C      -2.188435      3.969475      6.586712
  C      -3.319763      4.696651      5.887238
  C      -1.467854      1.677644      7.102219
  C      -1.012563      1.214792      5.723097
  N      -2.200317      0.817091      4.970861
  H      -2.917739      5.589744      5.376271
  H      -4.058809      5.069086      6.621728
  H      -1.336999      3.873260      5.899603
  H      -1.846532      4.510408      7.485354
  H      -0.321305      0.363265      5.828339
  H      -0.453819      2.013241      5.202503
  H      -1.815431      0.805115      7.670484
  H      -0.665150      2.171680      7.675399
  H      -5.270564      1.419868      8.716267
  H      -3.859701      0.421236      8.331861
  H      -4.202059      3.449723      8.017065
  H      -3.004770      2.613238      9.038806
  C      -4.880444      4.511567      4.021672
  C      -6.205544      4.923658      4.682195
  C      -7.079031      3.761990      5.118104
  O      -7.431109      2.981181      3.937086
  C      -8.723346      2.816239      3.631539
  N      -9.681138      3.165774      4.465844
  C     -10.963711      2.989125      4.049867
  N     -11.378406      2.536679      2.884179
  C     -10.392344      2.179432      2.004748
  C     -10.725071      1.718596      0.709383
  C      -9.707664      1.367697     -0.149111
  C      -8.369581      1.449385      0.293316
  N      -8.012901      1.879487      1.498171
  C      -9.011336      2.259999      2.337094
  C      -2.175552     -0.473561      4.276171
  C      -1.926850     -0.380332      2.763631
  C      -2.472193     -1.635794      2.097996
  O      -2.279511     -1.653443      0.658007
  C      -3.089035     -0.921840     -0.100873
  N      -4.020043     -0.136268      0.422383
  C      -4.777033      0.591042     -0.444040
  N      -4.739742      0.589173     -1.756672
  C      -3.804639     -0.244274     -2.316329
  C      -3.683595     -0.341565     -3.722162
  C      -2.723252     -1.180181     -4.246095
  C      -1.891453     -1.913703     -3.367349
  N      -1.973957     -1.852809     -2.045295
  C      -2.918103     -1.030527     -1.528239
  C      -6.052944      0.209470      6.543882
  C      -5.648014     -1.235178      6.887068
  C      -6.589323     -2.274153      6.307069
  O      -6.362394     -2.381809      4.870262
  C      -7.314043     -1.987050      4.022011
  N      -8.422202     -1.409666      4.446501
  C      -9.348905     -1.076345      3.509962
  N      -9.288304     -1.267823      2.208218
  C      -8.135512     -1.848838      1.751491
  C      -7.956724     -2.089726      0.367977
  C      -6.781226     -2.669065     -0.059650
  C      -5.790699     -3.000303      0.893017
  N      -5.916861     -2.791495      2.196813
  C      -7.074966     -2.229116      2.621118
  H      -4.378425      5.421162      3.644003
  H      -5.090151      3.871138      3.154847
  H      -6.014997      5.549798      5.568857
  H      -6.767609      5.552416      3.973458
  H      -7.997693      4.103647      5.608049
  H      -6.544489      3.075422      5.791072
  H     -11.731446      3.268517      4.777387
  H     -11.777086      1.653800      0.429677
  H      -9.916507      1.014477     -1.159108
  H      -7.564747      1.142682     -0.379064
  H      -1.414056     -1.115788      4.750264
  H      -3.142193     -0.978707      4.436878
  H      -0.857049     -0.257216      2.539943
  H      -2.456691      0.500980      2.376966
  H      -3.542674     -1.765040      2.316676
  H      -1.936837     -2.533110      2.434617
  H      -5.493377      1.266895      0.031692
  H      -4.349920      0.250652     -4.350148
  H      -2.593474     -1.285469     -5.324022
  H      -1.125157     -2.580278     -3.774609
  H      -6.436917      0.251033      5.517102
  H      -6.875814      0.529503      7.211242
  H      -4.633626     -1.424648      6.499542
  H      -5.608039     -1.381240      7.978044
  H      -7.643890     -2.035511      6.492928
  H      -6.360217     -3.274204      6.698754
  H     -10.251386     -0.595545      3.899178
  H      -8.756515     -1.812426     -0.320300
  H      -6.602998     -2.873761     -1.116195
  H      -4.851624     -3.455177      0.562817
  N      -4.835017      1.278491      3.788975
  N      -5.535098      0.806658      2.805621
  H      -6.329066      1.376910      2.438443
  H      -5.011531      0.232743      2.115484
99
Coordinates from ORCA-job orca E -6533.009859036042
  N      -3.949873      3.807875      4.910605
  Mo     -3.867109      1.846967      5.157413
  N      -4.937082      1.144472      6.648885
  C      -4.427382      1.315257      8.010230
  C      -3.559419      2.562119      8.087846
  N      -2.626162      2.594664      6.931076
  C      -2.186831      3.969670      6.586077
  C      -3.318018      4.697524      5.886171
  C      -1.467447      1.677716      7.102916
  C      -1.012761      1.213772      5.723894
  N      -2.200976      0.816379      4.972082
  H      -2.915784      5.589790      5.374193
  H      -4.056856      5.071071      6.620305
  H      -1.335520      3.872406      5.898440
  H      -1.844089      4.510623      7.484418
  H      -0.322385      0.361589      5.830190
  H      -0.453138      2.011368      5.202716
  H      -1.815412      0.805604      7.672208
  H      -0.664002      2.171823      7.675578
  H      -5.269386      1.421434      8.717543
  H      -3.858972      0.422580      8.332862
  H      -4.201003      3.451064      8.017917
  H      -3.003491      2.614413      9.039110
  C      -4.880762      4.510984      4.022788
  C      -6.205488      4.922166      4.684345
  C      -7.078507      3.759242      5.118850
  O      -7.431487      2.980678      3.936510
  C      -8.723828      2.817272      3.630252
  N      -9.681912      3.167183      4.464138
  C     -10.964354      2.990767      4.047542
  N     -11.378581      2.537845      2.881964
  C     -10.392226      2.180112      2.003152
  C     -10.724762      1.717890      0.708166
  C      -9.707101      1.366230     -0.149629
  C      -8.369171      1.448541      0.293144
  N      -8.012537      1.879953      1.497485
  C      -9.011354      2.260919      2.335799
  C      -2.176097     -0.473627      4.278086
  C      -1.929559     -0.379330      2.765342
  C      -2.473806     -1.634732      2.099217
  O      -2.279757     -1.652011      0.659383
  C      -3.089264     -0.921053     -0.099810
  N      -4.020812     -0.135720      0.423283
  C      -4.778084      0.591063     -0.443196
  N      -4.741076      0.588654     -1.755745
  C      -3.805654     -0.244632     -2.315299
  C      -3.685788     -0.342801     -3.721118
  C      -2.725354     -1.181483     -4.244891
  C      -1.892541     -1.914140     -3.366038
  N      -1.974291     -1.852421     -2.044025
  C      -2.918364     -1.030118     -1.527131
  C      -6.052616      0.210037      6.545269
  C      -5.647076     -1.234950      6.885711
  C      -6.588369     -2.273367      6.305193
  O      -6.360896     -2.380740      4.868488
  C      -7.313100     -1.987159      4.020110
  N      -8.421886     -1.410491      4.444864
  C      -9.349252     -1.078147      3.508488
  N      -9.288587     -1.269336      2.206851
  C      -8.135221     -1.849740      1.749684
  C      -7.956559     -2.090157      0.366095
  C      -6.780634     -2.667672     -0.062145
  C      -5.789600     -2.998406      0.890244
  N      -5.915650     -2.790618      2.194343
  C      -7.074122     -2.229365      2.619034
  H      -4.380309      5.420254      3.644415
  H      -5.090177      3.870187      3.157059
  H      -6.014897      5.547453      5.571676
  H      -6.768027      5.551731      3.976571
  H      -7.996647      4.099571      5.610732
  H      -6.542862      3.070945      5.789726
  H     -11.732627      3.270771      4.774290
  H     -11.776813      1.652669      0.428147
  H      -9.915654      1.011682     -1.159369
  H      -7.564426      1.140908     -0.378792
  H      -1.412797     -1.115095      4.750397
  H      -3.142181     -0.978948      4.440792
  H      -0.859819     -0.253929      2.541140
  H      -2.461398      0.501065      2.379221
  H      -3.544279     -1.764487      2.316631
  H      -1.938607     -2.531727      2.436548
  H      -5.495110      1.266284      0.032743
  H      -4.353502      0.248580     -4.349469
  H      -2.596712     -1.287670     -5.322834
  H      -1.126947     -2.581083     -3.773268
  H      -6.437800      0.252853      5.519480
  H      -6.874706      0.528790      7.214018
  H      -4.632794     -1.423610      6.496941
  H      -5.606142     -1.382642      7.976182
  H      -7.642962     -2.034983      6.490902
  H      -6.359222     -3.273316      6.696715
  H     -10.252569     -0.597946      3.897805
  H      -8.756524     -1.813353     -0.322127
  H      -6.602458     -2.871148     -1.119083
  H      -4.850096     -3.451341      0.559436
  N      -4.835248      1.279350      3.790063
  N      -5.534858      0.807069      2.806491
  H      -6.329153      1.376467      2.438923
  H      -5.010680      0.233505      2.116253
99
Coordinates from ORCA-job orca E -6533.009869628897
  N      -3.948844      3.809290      4.910442
  Mo     -3.868825      1.848113      5.157492
  N      -4.938740      1.147063      6.649724
  C      -4.428176      1.317848      8.010842
  C      -3.557989      2.563515      8.087136
  N      -2.625555      2.594664      6.929591
  C      -2.184601      3.968929      6.584123
  C      -3.315806      4.698201      5.885855
  C      -1.468050      1.676184      7.100891
  C      -1.015370      1.211109      5.721840
  N      -2.204756      0.815116      4.971336
  H      -2.913543      5.590621      5.373892
  H      -4.053558      5.071790      6.620775
  H      -1.334743      3.870603      5.894991
  H      -1.839516      4.509221      7.481863
  H      -0.326355      0.357969      5.828190
  H      -0.455153      2.007652      5.200041
  H      -1.816767      0.804803      7.670624
  H      -0.663531      2.169284      7.672718
  H      -5.270185      1.426166      8.718605
  H      -3.860999      0.424082      8.334456
  H      -4.198386      3.453653      8.017979
  H      -3.001179      2.615047      9.037931
  C      -4.881049      4.512750      4.023831
  C      -6.205006      4.923828      4.686744
  C      -7.078319      3.761238      5.121193
  O      -7.433416      2.984402      3.938817
  C      -8.725940      2.821099      3.633495
  N      -9.683903      3.170850      4.467649
  C     -10.966336      2.993846      4.051352
  N     -11.380454      2.541065      2.886063
  C     -10.394335      2.182858      2.007406
  C     -10.727141      1.718825      0.713007
  C      -9.709714      1.364979     -0.144182
  C      -8.371848      1.447222      0.298693
  N      -8.014909      1.880982      1.501980
  C      -9.013664      2.263608      2.339687
  C      -2.181881     -0.474968      4.277602
  C      -1.935134     -0.380446      2.764973
  C      -2.477602     -1.636431      2.098551
  O      -2.281657     -1.653473      0.659032
  C      -3.090505     -0.922482     -0.101217
  N      -4.022733     -0.137390      0.420790
  C      -4.778325      0.590340     -0.446504
  N      -4.738909      0.589166     -1.758894
  C      -3.803002     -0.244131     -2.317444
  C      -3.680669     -0.341027     -3.723087
  C      -2.719717     -1.180025     -4.245680
  C      -1.889296     -1.914226     -3.365918
  N      -1.973258     -1.853354     -2.044050
  C      -2.917560     -1.030766     -1.528313
  C      -6.054307      0.212454      6.546295
  C      -5.648122     -1.232488      6.885071
  C      -6.588405     -2.271445      6.304080
  O      -6.359287     -2.380193      4.867856
  C      -7.310812     -1.987818      4.017993
  N      -8.420490     -1.412385      4.441345
  C      -9.347347     -1.082070      3.503906
  N      -9.284892     -1.272741      2.202397
  C      -8.130759     -1.852103      1.746503
  C      -7.950728     -2.093074      0.363323
  C      -6.774620     -2.671920     -0.063170
  C      -5.784517     -3.002970      0.890491
  N      -5.911714     -2.793753      2.194182
  C      -7.070497     -2.231195      2.617181
  H      -4.380932      5.422370      3.645785
  H      -5.090793      3.872472      3.157879
  H      -6.013611      5.548422      5.573965
  H      -6.767805      5.554162      3.980116
  H      -7.995488      4.101643      5.614866
  H      -6.541957      3.071670      5.790246
  H     -11.734772      3.274352      4.777698
  H     -11.779300      1.653349      0.432906
  H      -9.918540      1.008154     -1.153457
  H      -7.567424      1.136932     -0.372376
  H      -1.419057     -1.118014      4.749445
  H      -3.148714     -0.978425      4.440575
  H      -0.865437     -0.253324      2.542164
  H      -2.467674      0.498718      2.378274
  H      -3.548555     -1.767606      2.314371
  H      -1.941732     -2.533074      2.437250
  H      -5.496586      1.264844      0.028859
  H      -4.346513      0.251615     -4.352292
  H      -2.589072     -1.285391     -5.323427
  H      -1.123628     -2.581615     -3.772273
  H      -6.440328      0.256016      5.521062
  H      -6.875941      0.530319      7.216006
  H      -4.633703     -1.420656      6.495826
  H      -5.606629     -1.380693      7.975066
  H      -7.643578     -2.033759      6.488681
  H      -6.358589     -3.270811      6.696359
  H     -10.251793     -0.602556      3.891980
  H      -8.749688     -1.817045     -0.325962
  H      -6.595787     -2.876964     -1.119562
  H      -4.844868     -3.458041      0.561197
  N      -4.837889      1.281913      3.790166
  N      -5.534927      0.809682      2.805160
  H      -6.332884      1.375077      2.438854
  H      -5.010583      0.235054      2.116045
99
Coordinates from ORCA-job orca E -6533.009878096017
  N      -3.945952      3.810585      4.906238
  Mo     -3.871130      1.849512      5.154179
  N      -4.942684      1.151747      6.647100
  C      -4.431695      1.322835      8.007966
  C      -3.558556      2.566324      8.083054
  N      -2.626051      2.593743      6.925436
  C      -2.180849      3.966138      6.578590
  C      -3.310764      4.698285      5.881037
  C      -1.471665      1.671636      7.098141
  C      -1.019693      1.203948      5.719601
  N      -2.210343      0.811644      4.968854
  H      -2.907052      5.589722      5.368703
  H      -4.047271      5.073544      6.616375
  H      -1.332451      3.864416      5.888012
  H      -1.832633      4.505870      7.475517
  H      -0.334084      0.348337      5.827489
  H      -0.455980      1.997858      5.197456
  H      -1.824145      0.801885      7.668094
  H      -0.665785      2.162123      7.670516
  H      -5.273356      1.434158      8.715623
  H      -3.866804      0.428197      8.332775
  H      -4.196704      3.458008      8.013483
  H      -3.001497      2.617310      9.033816
  C      -4.879710      4.515005      4.021870
  C      -6.202009      4.926352      4.687681
  C      -7.075513      3.764287      5.123442
  O      -7.433666      2.988852      3.941255
  C      -8.726737      2.823956      3.639929
  N      -9.682999      3.175137      4.475410
  C     -10.966250      2.996545      4.061988
  N     -11.382541      2.541449      2.898348
  C     -10.398164      2.181062      2.018714
  C     -10.733123      1.714207      0.725885
  C      -9.717170      1.357020     -0.131702
  C      -8.378596      1.438668      0.309279
  N      -8.019644      1.876386      1.510416
  C      -9.016993      2.262480      2.348387
  C      -2.190973     -0.477823      4.274033
  C      -1.940086     -0.381509      2.762621
  C      -2.477257     -1.638192      2.093819
  O      -2.277053     -1.653589      0.655027
  C      -3.083982     -0.922615     -0.106632
  N      -4.019961     -0.140540      0.413278
  C      -4.773193      0.587987     -0.455786
  N      -4.727227      0.590633     -1.767918
  C      -3.787276     -0.239949     -2.324256
  C      -3.657956     -0.332782     -3.729455
  C      -2.694621     -1.170296     -4.249646
  C      -1.868190     -1.906563     -3.368017
  N      -1.957919     -1.848691     -2.046432
  C      -2.904876     -1.027813     -1.533091
  C      -6.057999      0.217080      6.544745
  C      -5.650747     -1.227360      6.884485
  C      -6.591390     -2.268508      6.307422
  O      -6.364022     -2.380220      4.871215
  C      -7.316707     -1.990196      4.021751
  N      -8.426857     -1.415755      4.445328
  C      -9.354721     -1.087709      3.508016
  N      -9.292090     -1.278574      2.206630
  C      -8.137390     -1.856652      1.750509
  C      -7.957276     -2.097771      0.367371
  C      -6.781057     -2.675894     -0.059237
  C      -5.790605     -3.005290      0.894257
  N      -5.917716     -2.795487      2.197922
  C      -7.076714     -2.234197      2.620988
  H      -4.379994      5.424924      3.644164
  H      -5.090595      3.875627      3.155626
  H      -6.008452      5.550587      5.574916
  H      -6.765612      5.557759      3.982490
  H      -7.991148      4.105204      5.619589
  H      -6.538361      3.073623      5.790884
  H     -11.733542      3.278634      4.788886
  H     -11.785668      1.649100      0.447083
  H      -9.927771      0.997915     -1.139703
  H      -7.575256      1.124656     -0.361395
  H      -1.432139     -1.124200      4.746566
  H      -3.160110     -0.977820      4.433978
  H      -0.870002     -0.250240      2.543043
  H      -2.474764      0.496560      2.375442
  H      -3.548299     -1.771717      2.306349
  H      -1.940766     -2.533756      2.433648
  H      -5.495921      1.259649      0.017922
  H      -4.320682      0.261467     -4.360328
  H      -2.559014     -1.272929     -5.327000
  H      -1.100949     -2.573039     -3.772524
  H      -6.444962      0.260341      5.519862
  H      -6.878939      0.534841      7.214956
  H      -4.637210     -1.415609      6.493138
  H      -5.606109     -1.373942      7.974803
  H      -7.646692     -2.031839      6.492805
  H      -6.359752     -3.266714      6.702260
  H     -10.260198     -0.609115      3.896120
  H      -8.756084     -1.822291     -0.322444
  H      -6.602519     -2.881281     -1.115707
  H      -4.850672     -3.459213      0.564735
  N      -4.840123      1.284499      3.785692
  N      -5.533091      0.813894      2.797740
  H      -6.336882      1.373330      2.434008
  H      -5.009787      0.236492      2.110308
99
Coordinates from ORCA-job orca E -6533.009883076225
  N      -3.944576      3.811312      4.903980
  Mo     -3.873109      1.850256      5.152848
  N      -4.945474      1.154782      6.646358
  C      -4.433741      1.325715      8.006857
  C      -3.558695      2.567901      8.081385
  N      -2.626418      2.593352      6.923583
  C      -2.178752      3.964670      6.576124
  C      -3.307633      4.698481      5.878459
  C      -1.473653      1.669488      7.096600
  C      -1.022697      1.199866      5.718338
  N      -2.214189      0.809560      4.968076
  H      -2.902217      5.589094      5.365630
  H      -4.043491      5.075420      6.613989
  H      -1.330893      3.860970      5.884987
  H      -1.828972      4.504073      7.472764
  H      -0.339112      0.342817      5.826800
  H      -0.457368      1.992052      5.195658
  H      -1.827548      0.800906      7.667068
  H      -0.666998      2.158965      7.668461
  H      -5.274630      1.438375      8.714658
  H      -3.870224      0.430716      8.331596
  H      -4.195408      3.460435      8.011833
  H      -3.001243      2.618331      9.031942
  C      -4.878525      4.516730      4.020252
  C      -6.199869      4.929186      4.687472
  C      -7.073740      3.768145      5.125248
  O      -7.433724      2.992380      3.944309
  C      -8.727121      2.826536      3.645352
  N      -9.682182      3.180810      4.480912
  C     -10.965867      3.002135      4.069033
  N     -11.383615      2.543657      2.906896
  C     -10.400271      2.180318      2.027114
  C     -10.736391      1.710713      0.735565
  C      -9.721163      1.351211     -0.121879
  C      -8.382230      1.433097      0.317961
  N      -8.022255      1.873404      1.517723
  C      -9.018822      2.261997      2.355407
  C      -2.196830     -0.480065      4.272583
  C      -1.942968     -0.383413      2.761488
  C      -2.478055     -1.640210      2.091129
  O      -2.275549     -1.654523      0.652676
  C      -3.082489     -0.923608     -0.110178
  N      -4.020738     -0.142984      0.408462
  C      -4.772113      0.586614     -0.461456
  N      -4.721796      0.592078     -1.773402
  C      -3.780068     -0.237301     -2.328602
  C      -3.646307     -0.327112     -3.733567
  C      -2.681865     -1.164063     -4.252594
  C      -1.858727     -1.902718     -3.370071
  N      -1.952094     -1.847161     -2.048625
  C      -2.900099     -1.026841     -1.536415
  C      -6.061213      0.220194      6.544610
  C      -5.653961     -1.224124      6.885039
  C      -6.594086     -2.265391      6.308280
  O      -6.365601     -2.378491      4.872300
  C      -7.318646     -1.991267      4.021838
  N      -8.430499     -1.418876      4.444262
  C      -9.358780     -1.093665      3.506249
  N      -9.295047     -1.285819      2.205178
  C      -8.138507     -1.861718      1.750055
  C      -7.957130     -2.103578      0.367220
  C      -6.779422     -2.679399     -0.058443
  C      -5.788828     -3.006500      0.895841
  N      -5.917022     -2.796026      2.199295
  C      -7.077400     -2.236454      2.621382
  H      -4.378146      5.426468      3.642046
  H      -5.090955      3.877432      3.154032
  H      -6.004668      5.554045      5.573880
  H      -6.764035      5.560286      3.982512
  H      -7.988594      4.109757      5.622229
  H      -6.536131      3.077992      5.792330
  H     -11.732415      3.286244      4.796179
  H     -11.789067      1.645671      0.457585
  H      -9.932446      0.990125     -1.128841
  H      -7.579504      1.117193     -0.352536
  H      -1.440115     -1.128885      4.746028
  H      -3.167461     -0.977816      4.430670
  H      -0.872688     -0.251736      2.544595
  H      -2.476688      0.494404      2.373346
  H      -3.549516     -1.774873      2.301874
  H      -1.941513     -2.535697      2.431611
  H      -5.495473      1.257243      0.011474
  H      -4.306783      0.268831     -4.365138
  H      -2.543082     -1.264548     -5.329737
  H      -1.091016     -2.569030     -3.773680
  H      -6.448206      0.262924      5.519364
  H      -6.882396      0.538618      7.214891
  H      -4.640417     -1.412680      6.493978
  H      -5.609551     -1.369979      7.975374
  H      -7.649143     -2.028263      6.492693
  H      -6.363075     -3.262910      6.704161
  H     -10.265886     -0.618958      3.893787
  H      -8.756141     -1.830077     -0.323361
  H      -6.599966     -2.884802     -1.114795
  H      -4.847854     -3.458343      0.567057
  N      -4.842312      1.285880      3.783845
  N      -5.533152      0.816613      2.794020
  H      -6.340838      1.372308      2.432353
  H      -5.010296      0.237488      2.108095
99
Coordinates from ORCA-job orca E -6533.009889056979
  N      -3.943615      3.810690      4.902017
  Mo     -3.873872      1.849704      5.151357
  N      -4.946983      1.156036      6.645113
  C      -4.435778      1.328048      8.005862
  C      -3.559538      2.569453      8.079442
  N      -2.626674      2.592773      6.921917
  C      -2.177395      3.963286      6.573366
  C      -3.305191      4.697886      5.875500
  C      -1.474816      1.667850      7.095990
  C      -1.023854      1.196480      5.718236
  N      -2.215606      0.807536      4.967760
  H      -2.898409      5.587322      5.361911
  H      -4.040040      5.076815      6.610850
  H      -1.330047      3.857831      5.882165
  H      -1.826798      4.502999      7.469436
  H      -0.341825      0.338203      5.827609
  H      -0.456796      1.987279      5.195168
  H      -1.829623      0.800208      7.667343
  H      -0.667745      2.157135      7.667335
  H      -5.277224      1.442524      8.713158
  H      -3.873253      0.432606      8.332110
  H      -4.195344      3.462687      8.008540
  H      -3.002440      2.620158      9.030222
  C      -4.877433      4.516780      4.018670
  C      -6.198153      4.929792      4.687038
  C      -7.071723      3.769122      5.126247
  O      -7.432975      2.993047      3.945982
  C      -8.726511      2.827356      3.648100
  N      -9.680851      3.184585      4.483127
  C     -10.964839      3.006317      4.072123
  N     -11.383500      2.545404      2.911330
  C     -10.400853      2.179114      2.031904
  C     -10.737918      1.706886      0.741607
  C      -9.723335      1.345019     -0.115645
  C      -8.384061      1.427175      0.323072
  N      -8.023377      1.869357      1.522015
  C      -9.019242      2.260337      2.359443
  C      -2.198661     -0.481775      4.271308
  C      -1.942570     -0.384318      2.760673
  C      -2.476237     -1.640838      2.088902
  O      -2.272710     -1.653482      0.650651
  C      -3.079573     -0.922841     -0.112312
  N      -4.018806     -0.143532      0.405924
  C      -4.769656      0.586029     -0.464411
  N      -4.717805      0.592749     -1.776382
  C      -3.774611     -0.235033     -2.331128
  C      -3.638485     -0.323007     -3.736101
  C      -2.672614     -1.158601     -4.254629
  C      -1.850228     -1.897785     -3.371617
  N      -1.945715     -1.843746     -2.050176
  C      -2.895241     -1.024729     -1.538426
  C      -6.063371      0.222183      6.544288
  C      -5.656564     -1.222071      6.885891
  C      -6.596504     -2.263620      6.309296
  O      -6.368097     -2.375716      4.873241
  C      -7.322680     -1.991571      4.023232
  N      -8.435955     -1.422436      4.445827
  C      -9.365392     -1.099721      3.508134
  N      -9.301567     -1.291820      2.206969
  C      -8.143397     -1.864159      1.751753
  C      -7.961599     -2.105545      0.368918
  C      -6.782424     -2.678435     -0.056944
  C      -5.791005     -3.003139      0.897108
  N      -5.919541     -2.792838      2.200478
  C      -7.081173     -2.236101      2.622870
  H      -4.376793      5.426238      3.639541
  H      -5.091337      3.877195      3.152702
  H      -6.001752      5.555312      5.572737
  H      -6.763211      5.560170      3.982125
  H      -7.986130      4.110979      5.623883
  H      -6.533356      3.079343      5.792959
  H     -11.730652      3.292832      4.799012
  H     -11.790774      1.641699      0.464527
  H      -9.935287      0.981646     -1.121664
  H      -7.581816      1.110164     -0.347591
  H      -1.443317     -1.131286      4.745599
  H      -3.169946     -0.979027      4.427382
  H      -0.872048     -0.252473      2.545079
  H      -2.475714      0.494018      2.372336
  H      -3.547780     -1.776340      2.299092
  H      -1.939471     -2.536384      2.428787
  H      -5.494977      1.255125      0.008090
  H      -4.298254      0.273374     -4.367864
  H      -2.531863     -1.257499     -5.331752
  H      -1.080973     -2.562964     -3.774754
  H      -6.450483      0.264478      5.518990
  H      -6.883929      0.541822      7.214605
  H      -4.642901     -1.410587      6.495426
  H      -5.612614     -1.367387      7.976483
  H      -7.651664     -2.026816      6.493641
  H      -6.365400     -3.261246      6.705151
  H     -10.273464     -0.627257      3.895906
  H      -8.761645     -1.834547     -0.321221
  H      -6.602584     -2.883609     -1.113192
  H      -4.849037     -3.453298      0.568421
  N      -4.842971      1.285349      3.782175
  N      -5.533167      0.817450      2.791372
  H      -6.342599      1.372076      2.431124
  H      -5.010468      0.237906      2.105955
99
Coordinates from ORCA-job orca E -6533.009895604240
  N      -3.942554      3.809855      4.899994
  Mo     -3.874374      1.848781      5.150742
  N      -4.948142      1.157116      6.644734
  C      -4.436994      1.329613      8.005426
  C      -3.559933      2.570475      8.078446
  N      -2.626602      2.592107      6.921359
  C      -2.175928      3.961875      6.571679
  C      -3.302220      4.697218      5.872079
  C      -1.475266      1.666780      7.096415
  C      -1.024393      1.193804      5.719177
  N      -2.216234      0.806048      4.968153
  H      -2.893003      5.584741      5.357176
  H      -4.036323      5.079265      6.606623
  H      -1.328143      3.854542      5.881240
  H      -1.825418      4.502164      7.467472
  H      -0.343829      0.334569      5.829217
  H      -0.455760      1.983257      5.195835
  H      -1.830198      0.800032      7.668967
  H      -0.667824      2.156578      7.666816
  H      -5.278363      1.444937      8.712396
  H      -3.875174      0.434043      8.332003
  H      -4.194942      3.464005      8.006117
  H      -3.003161      2.621482      9.029348
  C      -4.876081      4.516624      4.017259
  C      -6.196034      4.930043      4.687220
  C      -7.069080      3.769305      5.126859
  O      -7.432115      2.993961      3.946587
  C      -8.726083      2.829355      3.649730
  N      -9.679782      3.190483      4.483787
  C     -10.964447      3.012674      4.073870
  N     -11.384276      2.548908      2.914903
  C     -10.402384      2.178569      2.036164
  C     -10.740741      1.702855      0.747688
  C      -9.726959      1.337778     -0.109274
  C      -8.387268      1.420056      0.327909
  N      -8.025675      1.864066      1.525964
  C      -9.020423      2.258653      2.362899
  C      -2.198916     -0.482733      4.270387
  C      -1.940459     -0.384975      2.760306
  C      -2.473716     -1.640794      2.087165
  O      -2.269287     -1.651726      0.649150
  C      -3.076305     -0.921864     -0.113804
  N      -4.016867     -0.144177      0.404086
  C      -4.768924      0.584114     -0.466546
  N      -4.716215      0.591586     -1.778482
  C      -3.771039     -0.233970     -2.332784
  C      -3.633058     -0.320260     -3.737617
  C      -2.665370     -1.153941     -4.255843
  C      -1.843507     -1.893462     -3.372688
  N      -1.940401     -1.840738     -2.051373
  C      -2.891233     -1.023100     -1.539815
  C      -6.065763      0.224615      6.545013
  C      -5.660040     -1.219760      6.887451
  C      -6.599228     -2.261032      6.309042
  O      -6.369863     -2.370643      4.872811
  C      -7.326486     -1.991283      4.022938
  N      -8.442012     -1.426875      4.445467
  C      -9.372876     -1.108110      3.508139
  N      -9.308798     -1.300414      2.206897
  C      -8.148165     -1.867630      1.751787
  C      -7.965562     -2.107863      0.368867
  C      -6.783984     -2.675914     -0.057220
  C      -5.791617     -2.997546      0.896687
  N      -5.920874     -2.787779      2.199964
  C      -7.084394     -2.235191      2.622721
  H      -4.375634      5.425334      3.636519
  H      -5.092145      3.876557      3.152251
  H      -5.998058      5.555586      5.572537
  H      -6.762346      5.560020      3.982832
  H      -7.982866      4.111164      5.625729
  H      -6.529663      3.078935      5.792285
  H     -11.729248      3.302973      4.800272
  H     -11.793876      1.637536      0.471957
  H      -9.939707      0.971478     -1.113934
  H      -7.585689      1.101876     -0.343048
  H      -1.444637     -1.132514      4.745938
  H      -3.170620     -0.979855      4.424121
  H      -0.869403     -0.254206      2.546129
  H      -2.471927      0.494301      2.371186
  H      -3.545151     -1.776233      2.296972
  H      -1.937308     -2.536686      2.426241
  H      -5.496039      1.251426      0.005442
  H      -4.292635      0.276154     -4.369036
  H      -2.522900     -1.251149     -5.332812
  H      -1.072825     -2.557372     -3.775493
  H      -6.452893      0.266661      5.519528
  H      -6.885504      0.546007      7.215553
  H      -4.645709     -1.407900      6.498848
  H      -5.618171     -1.365185      7.978234
  H      -7.654712     -2.024587      6.492633
  H      -6.368464     -3.259322      6.703976
  H     -10.282214     -0.638170      3.896005
  H      -8.767261     -1.839750     -0.320741
  H      -6.603125     -2.879797     -1.113467
  H      -4.848124     -3.444990      0.568242
  N      -4.843161      1.284484      3.781282
  N      -5.532172      0.818423      2.788895
  H      -6.343947      1.371419      2.431142
  H      -5.008971      0.238585      2.103913
99
Coordinates from ORCA-job orca E -6533.009899292984
  N      -3.941433      3.808397      4.898477
  Mo     -3.874494      1.847442      5.150878
  N      -4.948711      1.157933      6.645378
  C      -4.437779      1.331942      8.006165
  C      -3.559891      2.572330      8.077625
  N      -2.626014      2.591564      6.920757
  C      -2.174038      3.960527      6.569241
  C      -3.299250      4.696263      5.868725
  C      -1.475273      1.665581      7.097011
  C      -1.024560      1.190723      5.720258
  N      -2.216556      0.803821      4.969050
  H      -2.888562      5.581992      5.352283
  H      -4.032284      5.081135      6.602728
  H      -1.326209      3.851279      5.879238
  H      -1.823206      4.501778      7.464275
  H      -0.345255      0.330471      5.831188
  H      -0.454425      1.978888      5.196323
  H      -1.830583      0.799690      7.670988
  H      -0.667295      2.155856      7.666498
  H      -5.279534      1.448914      8.712842
  H      -3.876482      0.436186      8.334128
  H      -4.194259      3.466294      8.003313
  H      -3.003549      2.624389      9.028760
  C      -4.874813      4.515490      4.016157
  C      -6.194336      4.929564      4.687051
  C      -7.067708      3.769075      5.126861
  O      -7.432256      2.994299      3.946891
  C      -8.726305      2.831308      3.650425
  N      -9.679377      3.197023      4.483094
  C     -10.964309      3.020893      4.073585
  N     -11.385000      2.554239      2.916221
  C     -10.403741      2.179211      2.038701
  C     -10.743179      1.699652      0.751887
  C      -9.730163      1.330631     -0.104328
  C      -8.390280      1.412791      0.332027
  N      -8.027732      1.859190      1.529230
  C      -9.021628      2.257649      2.365251
  C      -2.199171     -0.484225      4.270407
  C      -1.939480     -0.385661      2.760641
  C      -2.472321     -1.640871      2.086041
  O      -2.267292     -1.649733      0.648062
  C      -3.074699     -0.920202     -0.114737
  N      -4.016376     -0.143802      0.403105
  C      -4.768376      0.584026     -0.467638
  N      -4.714367      0.592612     -1.779571
  C      -3.767527     -0.231015     -2.333785
  C      -3.628291     -0.315839     -3.738725
  C      -2.659392     -1.148080     -4.256938
  C      -1.837561     -1.887860     -3.373600
  N      -1.935934     -1.836603     -2.052261
  C      -2.887965     -1.020140     -1.540728
  C      -6.067134      0.226034      6.546582
  C      -5.662138     -1.218587      6.888678
  C      -6.601125     -2.258760      6.308717
  O      -6.370756     -2.366269      4.872442
  C      -7.328869     -1.990680      4.022577
  N      -8.446214     -1.429304      4.444953
  C      -9.378538     -1.114270      3.507792
  N      -9.314761     -1.308267      2.206755
  C      -8.152176     -1.872144      1.751793
  C      -7.969537     -2.113037      0.368946
  C      -6.785962     -2.676367     -0.057454
  C      -5.792145     -2.993938      0.896262
  N      -5.921393     -2.783953      2.199517
  C      -7.086556     -2.235057      2.622513
  H      -4.374307      5.423802      3.634392
  H      -5.092410      3.875055      3.151658
  H      -5.995347      5.554892      5.572230
  H      -6.761072      5.559632      3.983020
  H      -7.980986      4.111162      5.626431
  H      -6.528168      3.078174      5.791429
  H     -11.728323      3.315038      4.799185
  H     -11.796555      1.634535      0.477013
  H      -9.943693      0.961041     -1.107760
  H      -7.589431      1.091892     -0.338538
  H      -1.445399     -1.134429      4.746266
  H      -3.171212     -0.980996      4.423006
  H      -0.868173     -0.255129      2.547200
  H      -2.470257      0.494001      2.371365
  H      -3.543800     -1.776714      2.295552
  H      -1.935634     -2.537032      2.423997
  H      -5.497348      1.249664      0.003976
  H      -4.288669      0.280327     -4.370219
  H      -2.516117     -1.244073     -5.334013
  H      -1.066419     -2.551069     -3.776332
  H      -6.454739      0.268231      5.521523
  H      -6.886017      0.548097      7.217679
  H      -4.647403     -1.406400      6.500977
  H      -5.621732     -1.364752      7.979370
  H      -7.656501     -2.022055      6.491965
  H      -6.371252     -3.257603      6.702421
  H     -10.289036     -0.646486      3.895626
  H      -8.772973     -1.848550     -0.320047
  H      -6.604596     -2.879794     -1.113735
  H      -4.847374     -3.438089      0.567667
  N      -4.843033      1.283180      3.781276
  N      -5.531154      0.818672      2.787578
  H      -6.344699      1.370261      2.431510
  H      -5.007822      0.239447      2.102624
99
Coordinates from ORCA-job orca E -6533.009904635754
  N      -3.939918      3.807142      4.896815
  Mo     -3.874651      1.846228      5.151523
  N      -4.949629      1.159581      6.646677
  C      -4.438161      1.334283      8.007058
  C      -3.559027      2.573950      8.076964
  N      -2.625006      2.590744      6.920231
  C      -2.171314      3.958753      6.566995
  C      -3.295331      4.695314      5.865246
  C      -1.475242      1.663749      7.097560
  C      -1.025256      1.186743      5.721392
  N      -2.217553      0.800999      4.970274
  H      -2.882789      5.579274      5.347030
  H      -4.027347      5.083224      6.598720
  H      -1.323117      3.847565      5.877697
  H      -1.820134      4.500771      7.461430
  H      -0.347364      0.325418      5.833233
  H      -0.453654      1.973428      5.196783
  H      -1.831074      0.798911      7.673061
  H      -0.666462      2.154240      7.665944
  H      -5.279492      1.452575      8.713774
  H      -3.877603      0.438342      8.335414
  H      -4.192427      3.468399      8.001098
  H      -3.002823      2.626877      9.028077
  C      -4.873288      4.514390      4.014959
  C      -6.192088      4.929682      4.686690
  C      -7.065928      3.769530      5.126525
  O      -7.432333      2.995439      3.946774
  C      -8.726816      2.834201      3.651034
  N      -9.679319      3.204650      4.482302
  C     -10.964650      3.029727      4.073284
  N     -11.386324      2.559838      2.917549
  C     -10.405652      2.179885      2.041436
  C     -10.745898      1.696467      0.756391
  C      -9.733474      1.323099     -0.098624
  C      -8.393574      1.404518      0.337425
  N      -8.030271      1.853752      1.533363
  C      -9.023336      2.256767      2.367916
  C      -2.200700     -0.486245      4.270735
  C      -1.939480     -0.386499      2.761220
  C      -2.472428     -1.640605      2.084478
  O      -2.266095     -1.647133      0.646626
  C      -3.073479     -0.917442     -0.116032
  N      -4.016433     -0.142267      0.401753
  C      -4.768602      0.585105     -0.469100
  N      -4.713362      0.594912     -1.780958
  C      -3.764930     -0.226843     -2.335072
  C      -3.624250     -0.309876     -3.739988
  C      -2.654205     -1.140681     -4.258154
  C      -1.832847     -1.881069     -3.374722
  N      -1.932424     -1.831396     -2.053434
  C      -2.885335     -1.015962     -1.541971
  C      -6.069040      0.228848      6.548691
  C      -5.665154     -1.216069      6.890708
  C      -6.603869     -2.255216      6.308600
  O      -6.371678     -2.361087      4.872332
  C      -7.330707     -1.989641      4.021602
  N      -8.450163     -1.431436      4.442892
  C      -9.383574     -1.121352      3.505094
  N      -9.319435     -1.317879      2.204409
  C      -8.154683     -1.878274      1.750532
  C      -7.971516     -2.121541      0.368117
  C      -6.785715     -2.680918     -0.057303
  C      -5.790537     -2.992720      0.896961
  N      -5.920229     -2.780635      2.199859
  C      -7.087394     -2.235203      2.621906
  H      -4.372739      5.421969      3.632119
  H      -5.092395      3.873639      3.151304
  H      -5.992145      5.554435      5.571996
  H      -6.758809      5.560432      3.983256
  H      -7.978375      4.112132      5.627300
  H      -6.526410      3.077492      5.789955
  H     -11.728010      3.327905      4.797922
  H     -11.799442      1.631952      0.481988
  H      -9.947682      0.950417     -1.100720
  H      -7.593314      1.079639     -0.331723
  H      -1.447798     -1.137569      4.746779
  H      -3.173316     -0.982122      4.422224
  H      -0.867913     -0.256638      2.548717
  H      -2.469246      0.493821      2.372077
  H      -3.544190     -1.776391      2.292974
  H      -1.935864     -2.537301      2.421212
  H      -5.499446      1.249163      0.002036
  H      -4.284527      0.286496     -4.371423
  H      -2.509689     -1.235136     -5.335189
  H      -1.060897     -2.543459     -3.777358
  H      -6.456957      0.271222      5.523866
  H      -6.887219      0.551770      7.220116
  H      -4.649866     -1.403980      6.504416
  H      -5.626675     -1.362770      7.981333
  H      -7.659317     -2.018123      6.490914
  H      -6.374930     -3.254734      6.701274
  H     -10.295675     -0.655840      3.891990
  H      -8.776458     -1.862231     -0.320799
  H      -6.603524     -2.885990     -1.113102
  H      -4.844291     -3.434347      0.569100
  N      -4.843131      1.282488      3.781705
  N      -5.529751      0.819289      2.786512
  H      -6.345269      1.368886      2.432051
  H      -5.006330      0.240509      2.101193
99
Coordinates from ORCA-job orca E -6533.009900483958
  N      -3.938675      3.800795      4.892744
  Mo     -3.874764      1.840171      5.151634
  N      -4.951447      1.158003      6.647392
  C      -4.439630      1.334162      8.007355
  C      -3.558842      2.573016      8.074631
  N      -2.624153      2.586072      6.918330
  C      -2.167869      3.952497      6.561784
  C      -3.289634      4.690137      5.857255
  C      -1.475882      1.657665      7.098066
  C      -1.026191      1.177455      5.723059
  N      -2.218557      0.793152      4.971479
  H      -2.874006      5.570529      5.335159
  H      -4.019748      5.083985      6.589502
  H      -1.318894      3.837927      5.874030
  H      -1.816388      4.496233      7.455022
  H      -0.349989      0.314910      5.836621
  H      -0.452544      1.962329      5.197791
  H      -1.832782      0.794595      7.675680
  H      -0.666363      2.148484      7.665232
  H      -5.280650      1.454732      8.713963
  H      -3.880104      0.438064      8.336989
  H      -4.191127      3.468015      7.996063
  H      -3.003166      2.627778      9.025920
  C      -4.870591      4.507694      4.009336
  C      -6.185058      4.937084      4.681011
  C      -7.066634      3.787582      5.133335
  O      -7.443323      3.004035      3.963110
  C      -8.739897      2.860167      3.667144
  N      -9.687816      3.268857      4.485710
  C     -10.975010      3.109577      4.075987
  N     -11.402177      2.620690      2.930105
  C     -10.426213      2.199710      2.067549
  C     -10.771538      1.690351      0.794001
  C      -9.763826      1.273587     -0.046463
  C      -8.424363      1.338000      0.393538
  N      -8.056389      1.811515      1.578515
  C      -9.043716      2.257235      2.397631
  C      -2.201192     -0.491044      4.266971
  C      -1.934650     -0.385236      2.758767
  C      -2.466660     -1.635853      2.074411
  O      -2.253190     -1.636463      0.637451
  C      -3.060820     -0.909611     -0.127738
  N      -4.013141     -0.142969      0.386314
  C      -4.766911      0.578864     -0.487653
  N      -4.704083      0.591594     -1.799162
  C      -3.744941     -0.220224     -2.349395
  C      -3.595035     -0.298757     -3.753688
  C      -2.614303     -1.119361     -4.267816
  C      -1.791777     -1.854346     -3.380963
  N      -1.899991     -1.808982     -2.060222
  C      -2.863162     -1.003194     -1.552746
  C      -6.074035      0.231186      6.549757
  C      -5.675488     -1.215515      6.890798
  C      -6.615877     -2.250027      6.303059
  O      -6.377873     -2.354021      4.867388
  C      -7.335874     -1.988448      4.012948
  N      -8.458496     -1.432986      4.429512
  C      -9.391819     -1.132221      3.488506
  N      -9.325538     -1.336660      2.189122
  C      -8.157648     -1.894263      1.740129
  C      -7.972508     -2.146505      0.359557
  C      -6.783234     -2.702014     -0.061123
  C      -5.786484     -3.000617      0.895958
  N      -5.918158     -2.780587      2.197391
  C      -7.088935     -2.239285      2.614832
  H      -4.365643      5.409585      3.619306
  H      -5.096028      3.862886      3.150451
  H      -5.978832      5.567331      5.560849
  H      -6.748750      5.566605      3.974225
  H      -7.974570      4.142755      5.633593
  H      -6.531344      3.097155      5.801832
  H     -11.734745      3.440852      4.790005
  H     -11.825264      1.640230      0.517042
  H      -9.982197      0.878967     -1.039172
  H      -7.628332      0.976902     -0.261811
  H      -1.450615     -1.145432      4.742593
  H      -3.174848     -0.986227      4.413421
  H      -0.862157     -0.256222      2.550443
  H      -2.461796      0.497371      2.371337
  H      -3.539544     -1.771464      2.277387
  H      -1.931839     -2.534254      2.409460
  H      -5.507034      1.235485     -0.020259
  H      -4.256867      0.292918     -4.387844
  H      -2.462262     -1.209873     -5.344152
  H      -1.011543     -2.508951     -3.780314
  H      -6.461989      0.275234      5.525030
  H      -6.890949      0.556747      7.221389
  H      -4.659367     -1.405868      6.507763
  H      -5.641709     -1.364305      7.981254
  H      -7.671147     -2.009027      6.481474
  H      -6.392452     -3.251404      6.694565
  H     -10.306562     -0.668481      3.871216
  H      -8.778993     -1.897176     -0.331237
  H      -6.598986     -2.913844     -1.115234
  H      -4.837467     -3.438904      0.571575
  N      -4.842003      1.276696      3.780912
  N      -5.524885      0.815354      2.782729
  H      -6.350667      1.355688      2.437864
  H      -4.997023      0.249786      2.089551
99
Coordinates from ORCA-job orca E -6533.009838769067
  N      -3.942336      3.793963      4.899924
  Mo     -3.871339      1.833809      5.159880
  N      -4.942231      1.149376      6.658860
  C      -4.426400      1.326597      8.017098
  C      -3.549007      2.568026      8.081340
  N      -2.617975      2.583990      6.922078
  C      -2.167387      3.951889      6.564138
  C      -3.293300      4.685813      5.862308
  C      -1.466390      1.658925      7.098611
  C      -1.019392      1.179464      5.722537
  N      -2.212952      0.791404      4.974778
  H      -2.881749      5.567087      5.338189
  H      -4.022546      5.078145      6.596178
  H      -1.319762      3.840275      5.874510
  H      -1.815404      4.496950      7.456292
  H      -0.339795      0.319294      5.834470
  H      -0.450083      1.966309      5.195386
  H      -1.819133      0.795196      7.677465
  H      -0.656770      2.152037      7.663321
  H      -5.265400      1.444795      8.726716
  H      -3.863136      0.432024      8.344953
  H      -4.184416      3.461127      8.005040
  H      -2.990488      2.624659      9.030882
  C      -4.872204      4.498442      4.012015
  C      -6.188316      4.931316      4.677626
  C      -7.077630      3.785300      5.123299
  O      -7.454080      3.006429      3.949562
  C      -8.750255      2.882322      3.642151
  N      -9.698471      3.307645      4.451957
  C     -10.984333      3.170059      4.030627
  N     -11.409455      2.689125      2.880529
  C     -10.433228      2.250488      2.027261
  C     -10.775675      1.746810      0.750679
  C      -9.768106      1.308250     -0.078668
  C      -8.432176      1.346345      0.375252
  N      -8.066643      1.817180      1.561643
  C      -9.053026      2.283493      2.370299
  C      -2.193829     -0.490199      4.265446
  C      -1.930139     -0.377723      2.757318
  C      -2.465447     -1.624965      2.069226
  O      -2.253156     -1.621686      0.632106
  C      -3.061725     -0.893589     -0.130995
  N      -4.014173     -0.128236      0.384923
  C      -4.770955      0.591950     -0.487960
  N      -4.711039      0.603976     -1.799642
  C      -3.751162     -0.205883     -2.351523
  C      -3.603605     -0.284832     -3.756076
  C      -2.620591     -1.101861     -4.271634
  C      -1.793482     -1.832696     -3.385979
  N      -1.899957     -1.787645     -2.065065
  C      -2.865512     -0.985608     -1.556232
  C      -6.063434      0.220901      6.564281
  C      -5.661747     -1.225322      6.904538
  C      -6.602917     -2.261628      6.320247
  O      -6.369037     -2.367012      4.884033
  C      -7.333581     -2.014141      4.031768
  N      -8.461189     -1.470994      4.450291
  C      -9.402568     -1.188310      3.511572
  N      -9.339677     -1.400455      2.213261
  C      -8.166724     -1.944720      1.762204
  C      -7.984543     -2.203452      0.382498
  C      -6.789157     -2.744355     -0.040209
  C      -5.782639     -3.020018      0.913793
  N      -5.911576     -2.793608      2.214417
  C      -7.088828     -2.268127      2.633916
  H      -4.365032      5.399531      3.622446
  H      -5.094393      3.852481      3.152959
  H      -5.984755      5.559060      5.559846
  H      -6.745072      5.564988      3.969374
  H      -7.985518      4.144838      5.620553
  H      -6.549455      3.090229      5.792625
  H     -11.745030      3.515177      4.737076
  H     -11.827353      1.717223      0.462904
  H      -9.984638      0.915962     -1.072628
  H      -7.636854      0.964944     -0.269271
  H      -1.441467     -1.145245      4.736762
  H      -3.166191     -0.988028      4.411534
  H      -0.857978     -0.249017      2.547419
  H      -2.457362      0.507213      2.375216
  H      -3.538451     -1.759234      2.272545
  H      -1.931883     -2.525423      2.400922
  H      -5.510994      1.248252     -0.019653
  H      -4.268291      0.303837     -4.389432
  H      -2.469909     -1.192472     -5.348171
  H      -1.010811     -2.483933     -3.786459
  H      -6.454554      0.264209      5.540464
  H      -6.879154      0.545176      7.238054
  H      -4.646696     -1.414784      6.518264
  H      -5.623989     -1.373792      7.995047
  H      -7.658193     -2.022046      6.501335
  H      -6.376739     -3.262493      6.712225
  H     -10.321588     -0.734016      3.895243
  H      -8.797652     -1.970391     -0.306350
  H      -6.606905     -2.960917     -1.093706
  H      -4.828076     -3.445003      0.587373
  N      -4.840249      1.266907      3.791787
  N      -5.523033      0.802918      2.795080
  H      -6.365888      1.327601      2.466701
  H      -4.990657      0.258480      2.088020
99
Coordinates from ORCA-job orca E -6533.009575687867
  N      -3.925999      3.792159      4.897393
  Mo     -3.868808      1.833015      5.167740
  N      -4.945119      1.162820      6.669121
  C      -4.427185      1.340440      8.026358
  C      -3.541820      2.576297      8.086192
  N      -2.610920      2.582173      6.926810
  C      -2.152799      3.946335      6.564035
  C      -3.274218      4.684017      5.857626
  C      -1.465081      1.650382      7.106684
  C      -1.021224      1.162475      5.732351
  N      -2.217419      0.779482      4.985858
  H      -2.857071      5.560799      5.330562
  H      -4.002826      5.083144      6.588646
  H      -1.304349      3.827740      5.876096
  H      -1.799251      4.492869      7.454760
  H      -0.346850      0.298780      5.847322
  H      -0.447192      1.943955      5.202347
  H      -1.823303      0.791226      7.688973
  H      -0.652231      2.140487      7.669600
  H      -5.264548      1.465947      8.736280
  H      -3.869386      0.443479      8.356140
  H      -4.171545      3.472978      8.006832
  H      -2.982769      2.632853      9.035439
  C      -4.847231      4.496350      4.001521
  C      -6.169931      4.925807      4.654214
  C      -7.051567      3.774071      5.099665
  O      -7.399653      2.977051      3.929236
  C      -8.687883      2.839885      3.595381
  N      -9.657151      3.270217      4.377214
  C     -10.932385      3.114951      3.930319
  N     -11.328182      2.611168      2.779705
  C     -10.329964      2.165904      1.955827
  C     -10.640603      1.636555      0.681275
  C      -9.611835      1.190905     -0.117731
  C      -8.286313      1.249902      0.363809
  N      -7.950115      1.746314      1.548395
  C      -8.957748      2.217057      2.327790
  C      -2.207103     -0.499934      4.273656
  C      -1.950695     -0.383447      2.764960
  C      -2.517178     -1.614593      2.073427
  O      -2.320850     -1.602321      0.634368
  C      -3.112721     -0.836506     -0.109192
  N      -4.023195     -0.035536      0.429240
  C      -4.764348      0.722854     -0.424835
  N      -4.726936      0.741991     -1.737169
  C      -3.810862     -0.102463     -2.311795
  C      -3.692189     -0.177290     -3.719173
  C      -2.751459     -1.028508     -4.258020
  C      -1.938023     -1.797451     -3.392598
  N      -2.019650     -1.758695     -2.069835
  C      -2.943641     -0.923266     -1.538189
  C      -6.072095      0.240737      6.577299
  C      -5.678609     -1.206952      6.920367
  C      -6.624657     -2.239135      6.337182
  O      -6.389751     -2.349287      4.901492
  C      -7.358010     -2.010515      4.047593
  N      -8.492311     -1.479295      4.464196
  C      -9.438324     -1.214824      3.524954
  N      -9.374418     -1.435045      2.228177
  C      -8.194244     -1.965427      1.778638
  C      -8.009535     -2.227463      0.399858
  C      -6.805223     -2.747880     -0.022380
  C      -5.792957     -3.002256      0.931738
  N      -5.924826     -2.774366      2.231891
  C      -7.110408     -2.267432      2.650542
  H      -4.337695      5.397240      3.614982
  H      -5.061477      3.848678      3.142099
  H      -5.978529      5.560128      5.534413
  H      -6.725475      5.550888      3.937371
  H      -7.970425      4.127762      5.580573
  H      -6.524226      3.092088      5.783156
  H     -11.711326      3.465060      4.614158
  H     -11.685544      1.593062      0.371277
  H      -9.803859      0.777760     -1.108330
  H      -7.474562      0.860421     -0.254614
  H      -1.457092     -1.161766      4.739733
  H      -3.182264     -0.991182      4.422008
  H      -0.877656     -0.273860      2.548097
  H      -2.463796      0.513404      2.392010
  H      -3.590208     -1.727744      2.286409
  H      -1.999015     -2.528467      2.392685
  H      -5.465059      1.408245      0.061008
  H      -4.345520      0.440991     -4.336545
  H      -2.624382     -1.117480     -5.337629
  H      -1.189758     -2.475890     -3.811700
  H      -6.463093      0.283339      5.553577
  H      -6.886090      0.571323      7.250394
  H      -4.664193     -1.402617      6.535135
  H      -5.642650     -1.353851      8.010893
  H      -7.678801     -1.993756      6.516700
  H      -6.404003     -3.240079      6.731465
  H     -10.362937     -0.770341      3.906901
  H      -8.827219     -2.009419     -0.289468
  H      -6.619980     -2.963380     -1.075773
  H      -4.831006     -3.409157      0.605380
  N      -4.842213      1.267484      3.802414
  N      -5.529573      0.803450      2.808251
  H      -6.367736      1.333271      2.476367
  H      -5.004136      0.245064      2.106240
99
Coordinates from ORCA-job orca E -6533.009838595544
  N      -3.924242      3.790766      4.867747
  Mo     -3.872901      1.832488      5.143945
  N      -4.961980      1.171898      6.640261
  C      -4.454679      1.356232      8.000998
  C      -3.565476      2.589490      8.060969
  N      -2.625244      2.585071      6.908861
  C      -2.157867      3.944718      6.541521
  C      -3.272421      4.683668      5.827059
  C      -1.485035      1.649443      7.102543
  C      -1.031123      1.154391      5.734123
  N      -2.222478      0.773748      4.979345
  H      -2.849720      5.556941      5.298897
  H      -4.001938      5.088520      6.553884
  H      -1.307559      3.818045      5.857627
  H      -1.805695      4.493961      7.431172
  H      -0.362358      0.287585      5.858453
  H      -0.448371      1.930687      5.206057
  H      -1.852070      0.794412      7.685153
  H      -0.675155      2.138452      7.670235
  H      -5.297831      1.489267      8.703154
  H      -3.902804      0.459154      8.341301
  H      -4.191224      3.488206      7.971417
  H      -3.013699      2.648998      9.014348
  C      -4.854358      4.496236      3.981826
  C      -6.161922      4.935299      4.659483
  C      -7.039177      3.790629      5.131627
  O      -7.426225      2.994829      3.972995
  C      -8.724869      2.861121      3.681002
  N      -9.667422      3.287350      4.496738
  C     -10.956759      3.132620      4.092453
  N     -11.390721      2.630588      2.954863
  C     -10.420490      2.191236      2.095091
  C     -10.772830      1.668186      0.828708
  C      -9.770343      1.235568     -0.009996
  C      -8.428599      1.302278      0.422900
  N      -8.054450      1.790339      1.599586
  C      -9.036657      2.245849      2.419392
  C      -2.207120     -0.508117      4.269839
  C      -1.937421     -0.396467      2.762519
  C      -2.477281     -1.639506      2.071123
  O      -2.263957     -1.631636      0.634379
  C      -3.069990     -0.898394     -0.126278
  N      -4.023463     -0.136128      0.391834
  C      -4.772824      0.596100     -0.478014
  N      -4.703440      0.623166     -1.789048
  C      -3.741092     -0.182066     -2.343461
  C      -3.581732     -0.242621     -3.747632
  C      -2.597045     -1.056145     -4.265678
  C      -1.779408     -1.801173     -3.382906
  N      -1.896391     -1.772464     -2.062421
  C      -2.864416     -0.974823     -1.551158
  C      -6.089379      0.251055      6.544894
  C      -5.698693     -1.195864      6.894031
  C      -6.640382     -2.228432      6.305215
  O      -6.394690     -2.336626      4.871307
  C      -7.355244     -1.993008      4.010761
  N      -8.489604     -1.456084      4.419111
  C      -9.425290     -1.180605      3.472756
  N      -9.350932     -1.395345      2.175415
  C      -8.170186     -1.931862      1.734563
  C      -7.975614     -2.192608      0.356891
  C      -6.771969     -2.722194     -0.056321
  C      -5.770272     -2.986834      0.905403
  N      -5.911897     -2.761095      2.204746
  C      -7.096981     -2.246073      2.615012
  H      -4.346670      5.393171      3.582461
  H      -5.087472      3.845725      3.128908
  H      -5.947095      5.573879      5.531472
  H      -6.730859      5.558597      3.951308
  H      -7.942315      4.150895      5.636693
  H      -6.496652      3.106864      5.801058
  H     -11.712256      3.477194      4.804711
  H     -11.827610      1.620994      0.555440
  H      -9.994506      0.829144     -0.996644
  H      -7.636087      0.928356     -0.229527
  H      -1.460096     -1.166957      4.744434
  H      -3.182751     -1.000790      4.411659
  H      -0.863981     -0.273343      2.555958
  H      -2.458283      0.492002      2.379559
  H      -3.550707     -1.769028      2.273783
  H      -1.948715     -2.543597      2.400851
  H      -5.516456      1.246659     -0.007444
  H      -4.239017      0.357285     -4.378658
  H      -2.437622     -1.132939     -5.342021
  H      -0.994889     -2.448799     -3.785404
  H      -6.474100      0.291324      5.518437
  H      -6.906474      0.584773      7.212474
  H      -4.681715     -1.391769      6.516347
  H      -5.670438     -1.340931      7.985240
  H      -7.695724     -1.982737      6.476510
  H      -6.423260     -3.229222      6.701730
  H     -10.350635     -0.733208      3.848870
  H      -8.785788     -1.968276     -0.338348
  H      -6.580272     -2.939110     -1.108034
  H      -4.808991     -3.402146      0.586760
  N      -4.834644      1.260900      3.772794
  N      -5.511935      0.794600      2.773231
  H      -6.331575      1.336206      2.412456
  H      -4.985192      0.208221      2.096129
99
Coordinates from ORCA-job orca E -6533.009038096704
  N      -3.962379      3.815415      4.912608
  Mo     -3.891971      1.852995      5.159850
  N      -4.945808      1.161880      6.667446
  C      -4.410112      1.325388      8.019282
  C      -3.530224      2.565167      8.081330
  N      -2.614519      2.588023      6.910163
  C      -2.165765      3.957631      6.555955
  C      -3.298883      4.698898      5.872314
  C      -1.463166      1.659769      7.065278
  C      -1.035108      1.188410      5.680659
  N      -2.237531      0.808133      4.943400
  H      -2.891528      5.582357      5.348529
  H      -4.018179      5.088731      6.617659
  H      -1.324952      3.849439      5.856317
  H      -1.802900      4.496204      7.447932
  H      -0.357417      0.325075      5.779625
  H      -0.468367      1.976172      5.151948
  H      -1.810378      0.792526      7.643507
  H      -0.644572      2.147906      7.622695
  H      -5.237876      1.437915      8.741858
  H      -3.843381      0.427570      8.329807
  H      -4.164990      3.459405      8.019077
  H      -2.959445      2.614632      9.023876
  C      -4.905252      4.526844      4.045583
  C      -6.214156      4.946955      4.733823
  C      -7.084691      3.788465      5.185631
  O      -7.467585      3.008718      4.015015
  C      -8.764995      2.872721      3.719102
  N      -9.711755      3.286932      4.536384
  C     -10.999519      3.128613      4.128500
  N     -11.428861      2.632909      2.986153
  C     -10.454357      2.206502      2.124794
  C     -10.801982      1.689164      0.854615
  C      -9.795877      1.269719      0.013651
  C      -8.455653      1.342279      0.449071
  N      -8.085440      1.822658      1.630691
  C      -9.071141      2.266631      2.452133
  C      -2.223147     -0.472921      4.234560
  C      -1.946422     -0.371191      2.726917
  C      -2.455194     -1.633350      2.043833
  O      -2.199614     -1.652054      0.613094
  C      -2.998523     -0.954833     -0.188308
  N      -3.989570     -0.209762      0.284018
  C      -4.732015      0.482270     -0.622560
  N      -4.622475      0.484268     -1.930849
  C      -3.621752     -0.305254     -2.439106
  C      -3.421406     -0.392724     -3.836491
  C      -2.401768     -1.191058     -4.307918
  C      -1.591162     -1.895131     -3.385411
  N      -1.746659     -1.840998     -2.069831
  C      -2.748000     -1.056782     -1.604578
  C      -6.069389      0.235145      6.577847
  C      -5.662953     -1.216791      6.883524
  C      -6.611427     -2.238602      6.288947
  O      -6.392915     -2.312910      4.847957
  C      -7.374378     -1.962642      4.013448
  N      -8.504599     -1.440866      4.455535
  C      -9.464701     -1.160747      3.534871
  N      -9.419439     -1.357761      2.233612
  C      -8.244574     -1.879382      1.757647
  C      -8.082558     -2.122696      0.372310
  C      -6.885331     -2.635363     -0.077031
  C      -5.857926     -2.903339      0.856972
  N      -5.967705     -2.694210      2.162604
  C      -7.146662     -2.194244      2.607965
  H      -4.407432      5.432683      3.657400
  H      -5.138192      3.888424      3.185001
  H      -6.002264      5.569943      5.617274
  H      -6.787414      5.580845      4.038578
  H      -7.989323      4.134465      5.697921
  H      -6.538679      3.095346      5.842328
  H     -11.758144      3.464575      4.841662
  H     -11.856409      1.636222      0.580237
  H     -10.016737      0.868967     -0.976216
  H      -7.660179      0.977279     -0.204218
  H      -1.472816     -1.128153      4.711450
  H      -3.196687     -0.967686      4.380579
  H      -0.873008     -0.233653      2.529152
  H      -2.477623      0.503060      2.328013
  H      -3.532139     -1.775239      2.220578
  H      -1.921602     -2.522903      2.404113
  H      -5.507414      1.120599     -0.188575
  H      -4.078260      0.173926     -4.500125
  H      -2.210977     -1.287956     -5.377448
  H      -0.781917     -2.532510     -3.751034
  H      -6.477807      0.295497      5.562756
  H      -6.873290      0.547403      7.271079
  H      -4.652467     -1.397757      6.480302
  H      -5.612817     -1.387640      7.969271
  H      -7.663409     -2.000931      6.487671
  H      -6.382849     -3.247371      6.656095
  H     -10.385818     -0.727908      3.938781
  H      -8.912281     -1.898144     -0.299126
  H      -6.717625     -2.837387     -1.136105
  H      -4.902674     -3.306301      0.508665
  N      -4.883853      1.304648      3.801249
  N      -5.582607      0.855470      2.809381
  H      -6.440822      1.374363      2.514605
  H      -5.059675      0.339355      2.074679
99
Coordinates from ORCA-job orca E -6533.009885463507
  N      -3.939770      3.791014      4.893417
  Mo     -3.870987      1.831543      5.158340
  N      -4.945136      1.153920      6.657980
  C      -4.429287      1.332561      8.016122
  C      -3.549275      2.572298      8.078095
  N      -2.617490      2.583583      6.919220
  C      -2.164596      3.949741      6.557639
  C      -3.289255      4.683821      5.853842
  C      -1.467748      1.656758      7.098538
  C      -1.019865      1.173377      5.723998
  N      -2.213429      0.786961      4.975466
  H      -2.875986      5.562963      5.327836
  H      -4.017499      5.079390      6.586955
  H      -1.317183      3.834668      5.868176
  H      -1.811853      4.496570      7.448480
  H      -0.343002      0.311480      5.838720
  H      -0.447301      1.957421      5.196129
  H      -1.823061      0.795035      7.678837
  H      -0.657729      2.149406      7.663146
  H      -5.268144      1.454218      8.725322
  H      -3.868156      0.437394      8.345994
  H      -4.182692      3.466493      7.999151
  H      -2.991069      2.629842      9.027772
  C      -4.870130      4.495063      4.005593
  C      -6.185478      4.927552      4.673729
  C      -7.068782      3.780470      5.129045
  O      -7.446039      2.991759      3.961968
  C      -8.741850      2.870607      3.652014
  N      -9.690882      3.304984      4.455886
  C     -10.976320      3.165245      4.033844
  N     -11.400345      2.673295      2.888218
  C     -10.423416      2.226537      2.040048
  C     -10.764544      1.711870      0.767275
  C      -9.756164      1.268089     -0.058383
  C      -8.420196      1.313585      0.394578
  N      -8.056548      1.793250      1.578067
  C      -9.043658      2.262369      2.384257
  C      -2.192381     -0.491757      4.260888
  C      -1.928785     -0.374230      2.753050
  C      -2.461298     -1.620248      2.061411
  O      -2.244393     -1.612346      0.625182
  C      -3.049361     -0.880441     -0.137798
  N      -4.003043     -0.117240      0.378159
  C      -4.759390      0.604176     -0.494706
  N      -4.696689      0.619173     -1.806208
  C      -3.734292     -0.187663     -2.357955
  C      -3.584207     -0.263245     -3.762294
  C      -2.599626     -1.078401     -4.277978
  C      -1.773800     -1.811095     -3.392576
  N      -1.883018     -1.769342     -2.071763
  C      -2.849940     -0.968853     -1.562839
  C      -6.069588      0.229120      6.565397
  C      -5.673052     -1.218677      6.904653
  C      -6.620599     -2.249397      6.321674
  O      -6.387430     -2.355571      4.885442
  C      -7.352694     -2.003822      4.033517
  N      -8.475935     -1.451164      4.451332
  C      -9.417404     -1.166412      3.513520
  N      -9.358393     -1.385182      2.216091
  C      -8.189617     -1.939316      1.765523
  C      -8.012220     -2.205818      0.386681
  C      -6.821352     -2.756046     -0.036518
  C      -5.815064     -3.034717      0.916521
  N      -5.939296     -2.800785      2.216159
  C      -7.112020     -2.265591      2.636268
  H      -4.363971      5.395342      3.612696
  H      -5.094407      3.847185      3.148534
  H      -5.980047      5.560782      5.551639
  H      -6.747598      5.555325      3.964166
  H      -7.976552      4.138923      5.627229
  H      -6.534230      3.091694      5.799629
  H     -11.737462      3.518552      4.735678
  H     -11.815923      1.678965      0.479144
  H      -9.971831      0.867018     -1.048994
  H      -7.623240      0.930636     -0.247246
  H      -1.439034     -1.147206      4.730260
  H      -3.164063     -0.991371      4.404914
  H      -0.856767     -0.242990      2.543578
  H      -2.457394      0.511191      2.373182
  H      -3.534718     -1.755142      2.262305
  H      -1.928640     -2.521348      2.392678
  H      -5.502894      1.256743     -0.027033
  H      -4.248898      0.325996     -4.395218
  H      -2.447187     -1.166537     -5.354460
  H      -0.989857     -2.460671     -3.793255
  H      -6.462485      0.273746      5.542206
  H      -6.882506      0.556688      7.240945
  H      -4.659508     -1.412114      6.516605
  H      -5.634471     -1.367887      7.995029
  H      -7.674151     -2.002249      6.502261
  H      -6.402010     -3.251502      6.714776
  H     -10.331832     -0.702641      3.896956
  H      -8.825187     -1.969617     -0.301362
  H      -6.643015     -2.978157     -1.089544
  H      -4.864469     -3.468018      0.589940
  N      -4.837590      1.262352      3.789853
  N      -5.518078      0.798211      2.791971
  H      -6.364372      1.319357      2.463836
  H      -4.984042      0.254859      2.086771
99
Coordinates from ORCA-job orca E -6533.009827946981
  N      -3.927987      3.783993      4.870472
  Mo     -3.870910      1.826829      5.151845
  N      -4.954631      1.168507      6.653353
  C      -4.441116      1.353826      8.011355
  C      -3.554076      2.588865      8.066324
  N      -2.619080      2.585478      6.909999
  C      -2.157399      3.946061      6.539021
  C      -3.277352      4.680415      5.827446
  C      -1.476112      1.652543      7.100615
  C      -1.026344      1.155617      5.731595
  N      -2.219852      0.770192      4.982602
  H      -2.860191      5.555220      5.297022
  H      -4.006598      5.082482      6.556192
  H      -1.309071      3.821631      5.852183
  H      -1.803705      4.497590      7.426644
  H      -0.354561      0.291123      5.855765
  H      -0.447939      1.932456      5.199603
  H      -1.839738      0.797733      7.685525
  H      -0.665360      2.143579      7.665193
  H      -5.280776      1.485499      8.717705
  H      -3.885925      0.458120      8.349324
  H      -4.182199      3.486131      7.979477
  H      -2.998001      2.650488      9.017059
  C      -4.857954      4.484306      3.979957
  C      -6.169953      4.920010      4.650342
  C      -7.045691      3.773026      5.120025
  O      -7.421853      2.971403      3.961414
  C      -8.717485      2.846164      3.651899
  N      -9.667858      3.279885      4.454637
  C     -10.952565      3.133988      4.033072
  N     -11.374725      2.636126      2.889003
  C     -10.396290      2.190006      2.042447
  C     -10.735024      1.671152      0.770563
  C      -9.724873      1.228024     -0.053034
  C      -8.389268      1.279694      0.400738
  N      -8.027309      1.766352      1.581425
  C      -9.016748      2.232833      2.386299
  C      -2.205492     -0.512135      4.274373
  C      -1.945766     -0.400630      2.765380
  C      -2.495217     -1.641778      2.078045
  O      -2.289971     -1.636210      0.640374
  C      -3.092687     -0.892531     -0.114207
  N      -4.031618     -0.117245      0.411715
  C      -4.774646      0.629058     -0.451883
  N      -4.711894      0.658906     -1.763115
  C      -3.765011     -0.159451     -2.325400
  C      -3.613948     -0.217867     -3.730491
  C      -2.642968     -1.042950     -4.256199
  C      -1.830288     -1.800659     -3.380105
  N      -1.940032     -1.774704     -2.058966
  C      -2.895194     -0.966607     -1.540323
  C      -6.080345      0.245657      6.562379
  C      -5.684538     -1.201321      6.905004
  C      -6.627155     -2.233364      6.316419
  O      -6.386596     -2.335025      4.881325
  C      -7.352768     -1.994428      4.025967
  N      -8.490887     -1.471217      4.441454
  C      -9.433318     -1.201855      3.499844
  N      -9.362072     -1.411005      2.201570
  C      -8.177185     -1.931614      1.753212
  C      -7.984046     -2.181447      0.373358
  C      -6.773557     -2.688801     -0.047696
  C      -5.763283     -2.942033      0.908564
  N      -5.904600     -2.729156      2.210154
  C      -7.096362     -2.236059      2.627755
  H      -4.351480      5.382457      3.581968
  H      -5.083930      3.831921      3.126724
  H      -5.962466      5.560487      5.522695
  H      -6.736544      5.541101      3.938590
  H      -7.953256      4.131324      5.618502
  H      -6.504824      3.093082      5.794686
  H     -11.715622      3.484682      4.734318
  H     -11.786005      1.634848      0.481079
  H      -9.939004      0.823620     -1.042691
  H      -7.591176      0.893772     -0.237449
  H      -1.454784     -1.170275      4.744138
  H      -3.179651     -1.005658      4.422837
  H      -0.873614     -0.279765      2.551395
  H      -2.467773      0.488737      2.386809
  H      -3.568208     -1.764704      2.285781
  H      -1.970161     -2.548485      2.406509
  H      -5.502234      1.293060      0.024706
  H      -4.265861      0.392821     -4.356585
  H      -2.490280     -1.118891     -5.333534
  H      -1.056251     -2.456767     -3.788865
  H      -6.470995      0.287366      5.538194
  H      -6.895048      0.575449      7.234968
  H      -4.669313     -1.394397      6.520903
  H      -5.649792     -1.350267      7.995437
  H      -7.682294     -1.989982      6.492750
  H      -6.406547     -3.235296      6.708183
  H     -10.361219     -0.764144      3.881158
  H      -8.799436     -1.964709     -0.318319
  H      -6.582613     -2.895763     -1.101573
  H      -4.795645     -3.336853      0.583039
  N      -4.836039      1.250646      3.785212
  N      -5.516140      0.778882      2.789943
  H      -6.344376      1.312779      2.436874
  H      -4.987642      0.204403      2.103822
99
Coordinates from ORCA-job orca E -6533.009909078054
  N      -3.935834      3.797731      4.886678
  Mo     -3.877948      1.838133      5.152304
  N      -4.957724      1.167274      6.651041
  C      -4.442222      1.344037      8.009592
  C      -3.555485      2.578895      8.071828
  N      -2.622475      2.583803      6.913862
  C      -2.161123      3.946934      6.551843
  C      -3.281893      4.686993      5.847835
  C      -1.478975      1.649874      7.094989
  C      -1.031782      1.163620      5.721185
  N      -2.226264      0.783809      4.970579
  H      -2.864757      5.564630      5.322509
  H      -4.008870      5.085151      6.580954
  H      -1.314224      3.826809      5.862344
  H      -1.805417      4.491961      7.442689
  H      -0.360126      0.297975      5.837569
  H      -0.453711      1.944173      5.194163
  H      -1.841015      0.790430      7.674366
  H      -0.666992      2.137123      7.661405
  H      -5.280931      1.470364      8.718106
  H      -3.885986      0.446278      8.340483
  H      -4.183865      3.476565      7.991975
  H      -2.997800      2.633855      9.022026
  C      -4.866945      4.505340      4.003278
  C      -6.176798      4.941191      4.678760
  C      -7.054048      3.795235      5.148272
  O      -7.433848      2.994822      3.990070
  C      -8.729412      2.876497      3.678288
  N      -9.679036      3.321829      4.475446
  C     -10.963756      3.181102      4.051814
  N     -11.386296      2.676873      2.910879
  C     -10.408582      2.218128      2.070117
  C     -10.747762      1.689635      0.802282
  C      -9.738408      1.234138     -0.015804
  C      -8.403317      1.282690      0.439702
  N      -8.041346      1.776172      1.617906
  C      -9.029600      2.255483      2.416702
  C      -2.210699     -0.495525      4.256701
  C      -1.943839     -0.381722      2.748982
  C      -2.484291     -1.625044      2.058086
  O      -2.264806     -1.622707      0.622142
  C      -3.062063     -0.885158     -0.143804
  N      -4.009805     -0.112290      0.369118
  C      -4.751803      0.622348     -0.505145
  N      -4.681532      0.640624     -1.816162
  C      -3.726268     -0.176866     -2.365348
  C      -3.568991     -0.249462     -3.769037
  C      -2.590784     -1.074165     -4.281828
  C      -1.777959     -1.818508     -3.394283
  N      -1.894238     -1.779872     -2.074017
  C      -2.855663     -0.971088     -1.568000
  C      -6.082289      0.242734      6.556863
  C      -5.685347     -1.204590      6.897365
  C      -6.629445     -2.237190      6.312311
  O      -6.389953     -2.346432      4.877411
  C      -7.355992     -2.008725      4.020678
  N      -8.488918     -1.471637      4.433081
  C      -9.431523     -1.204509      3.491245
  N      -9.365792     -1.428884      2.195229
  C      -8.186922     -1.966024      1.749930
  C      -8.001033     -2.234678      0.372607
  C      -6.798245     -2.761675     -0.045923
  C      -5.789015     -3.017208      0.910635
  N      -5.922545     -2.784517      2.209649
  C      -7.106452     -2.270711      2.624818
  H      -4.359753      5.404026      3.607824
  H      -5.097411      3.857616      3.147747
  H      -5.965319      5.579365      5.551769
  H      -6.744675      5.564654      3.969908
  H      -7.960190      4.154801      5.648406
  H      -6.513394      3.113619      5.821298
  H     -11.725933      3.542225      4.748616
  H     -11.798458      1.656032      0.511563
  H      -9.952722      0.822317     -1.002426
  H      -7.605698      0.889405     -0.194913
  H      -1.461218     -1.154407      4.727586
  H      -3.185013     -0.990101      4.400295
  H      -0.870588     -0.258179      2.541302
  H      -2.465599      0.506539      2.367336
  H      -3.558831     -1.751041      2.256779
  H      -1.959769     -2.529612      2.392932
  H      -5.487889      1.283996     -0.038667
  H      -4.223230      0.349724     -4.404116
  H      -2.433364     -1.160675     -5.357692
  H      -0.999232     -2.475088     -3.792771
  H      -6.473066      0.286496      5.532953
  H      -6.896937      0.570184      7.230604
  H      -4.670658     -1.397177      6.511669
  H      -5.648814     -1.353318      7.987706
  H      -7.683997     -1.991350      6.488249
  H      -6.410934     -3.237876      6.708177
  H     -10.354577     -0.754720      3.870349
  H      -8.816340     -2.016212     -0.318898
  H      -6.612807     -2.982750     -1.098020
  H      -4.828459     -3.430097      0.587444
  N      -4.847843      1.275524      3.783523
  N      -5.531747      0.815060      2.785887
  H      -6.358334      1.356195      2.440284
  H      -5.004599      0.249113      2.091775
99
Coordinates from ORCA-job orca E -6533.009798539248
  N      -3.942397      3.782377      4.898177
  Mo     -3.862333      1.823893      5.169536
  N      -4.931416      1.146139      6.672660
  C      -4.411117      1.325551      8.028738
  C      -3.537094      2.569817      8.087475
  N      -2.609111      2.586115      6.925596
  C      -2.166069      3.954725      6.560721
  C      -3.295760      4.680793      5.856043
  C      -1.452867      1.667156      7.103177
  C      -1.006287      1.182514      5.728851
  N      -2.199611      0.787304      4.984857
  H      -2.887354      5.560785      5.327381
  H      -4.025508      5.074652      6.588717
  H      -1.318228      3.843807      5.870932
  H      -1.815884      4.505720      7.450046
  H      -0.324553      0.324524      5.844594
  H      -0.439124      1.967956      5.197160
  H      -1.800894      0.804668      7.686986
  H      -0.644019      2.166392      7.663923
  H      -5.247566      1.443097      8.741137
  H      -3.844738      0.432856      8.355750
  H      -4.175520      3.460474      8.010199
  H      -2.976173      2.630908      9.035275
  C      -4.871882      4.480348      4.004691
  C      -6.191538      4.911867      4.665183
  C      -7.076210      3.763666      5.114828
  O      -7.448104      2.975073      3.945850
  C      -8.741409      2.867741      3.620403
  N      -9.695461      3.317015      4.410094
  C     -10.977561      3.183704      3.975924
  N     -11.393941      2.681631      2.831784
  C     -10.411893      2.218904      1.998250
  C     -10.744397      1.690053      0.728963
  C      -9.731207      1.231070     -0.082432
  C      -8.398887      1.278171      0.380467
  N      -8.043447      1.770897      1.561022
  C      -9.035030      2.251496      2.354604
  C      -2.170944     -0.490663      4.269767
  C      -1.914045     -0.371283      2.760737
  C      -2.446681     -1.618236      2.070247
  O      -2.237139     -1.608031      0.632692
  C      -3.044265     -0.872350     -0.124451
  N      -3.993313     -0.107878      0.398562
  C      -4.752561      0.617847     -0.468128
  N      -4.698632      0.633795     -1.779941
  C      -3.743073     -0.176178     -2.339085
  C      -3.604154     -0.252014     -3.744511
  C      -2.626100     -1.070075     -4.267810
  C      -1.795948     -1.805712     -3.388811
  N      -1.894948     -1.764181     -2.067225
  C      -2.855131     -0.960452     -1.550905
  C      -6.056296      0.221697      6.581867
  C      -5.657882     -1.229434      6.903636
  C      -6.610561     -2.252073      6.314923
  O      -6.387863     -2.339894      4.875438
  C      -7.364375     -1.990543      4.035113
  N      -8.489358     -1.452805      4.468015
  C      -9.443699     -1.172008      3.541962
  N      -9.396716     -1.382980      2.242721
  C      -8.226663     -1.921536      1.776391
  C      -8.063074     -2.181677      0.394536
  C      -6.870993     -2.716001     -0.045022
  C      -5.850062     -2.986145      0.894881
  N      -5.961172     -2.758766      2.196980
  C      -7.135223     -2.239428      2.633324
  H      -4.366956      5.380762      3.611199
  H      -5.090600      3.829478      3.148772
  H      -5.991929      5.545053      5.544422
  H      -6.750184      5.539441      3.952652
  H      -7.986274      4.121138      5.609504
  H      -6.544128      3.073761      5.786114
  H     -11.743087      3.549478      4.666535
  H     -11.793430      1.658561      0.432155
  H      -9.940598      0.818479     -1.069588
  H      -7.597899      0.883143     -0.248770
  H      -1.410414     -1.140388      4.735962
  H      -3.138060     -0.997767      4.417941
  H      -0.843395     -0.236976      2.546386
  H      -2.446857      0.512687      2.383756
  H      -3.518913     -1.756691      2.276832
  H      -1.909464     -2.518065      2.397577
  H      -5.490815      1.272611      0.005170
  H      -4.272105      0.339130     -4.372286
  H      -2.482276     -1.158490     -5.345420
  H      -1.017242     -2.457709     -3.795612
  H      -6.457141      0.275020      5.562226
  H      -6.863977      0.543324      7.266432
  H      -4.647071     -1.419067      6.506470
  H      -5.612282     -1.390542      7.991883
  H      -7.662376     -2.005629      6.505979
  H      -6.390779     -3.259340      6.693990
  H     -10.360193     -0.723316      3.938422
  H      -8.887596     -1.954239     -0.282405
  H      -6.702771     -2.932577     -1.100898
  H      -4.898857     -3.407576      0.554965
  N      -4.828451      1.246034      3.804649
  N      -5.506878      0.775832      2.808741
  H      -6.370720      1.277356      2.493454
  H      -4.969009      0.246587      2.095149
99
Coordinates from ORCA-job orca E -6533.009976546997
  N      -3.934700      3.783642      4.881819
  Mo     -3.870290      1.825670      5.158599
  N      -4.947992      1.161048      6.661511
  C      -4.430418      1.343235      8.018428
  C      -3.546544      2.580564      8.074268
  N      -2.615243      2.583608      6.914867
  C      -2.159420      3.946773      6.545783
  C      -3.282811      4.679664      5.838248
  C      -1.468012      1.654673      7.098955
  C      -1.021214      1.162240      5.727304
  N      -2.215567      0.775324      4.980392
  H      -2.867996      5.555651      5.308119
  H      -4.010538      5.079992      6.569438
  H      -1.312193      3.826305      5.856839
  H      -1.805364      4.497598      7.433696
  H      -0.347155      0.298896      5.847579
  H      -0.445718      1.941465      5.195435
  H      -1.825887      0.797147      7.683833
  H      -0.656737      2.147976      7.661150
  H      -5.268088      1.470473      8.727947
  H      -3.871737      0.447781      8.351467
  H      -4.177442      3.476213      7.991585
  H      -2.987626      2.640993      9.023370
  C      -4.865233      4.484575      3.992465
  C      -6.178396      4.920323      4.661836
  C      -7.057253      3.774058      5.127661
  O      -7.435302      2.974799      3.967976
  C      -8.729690      2.867794      3.647035
  N      -9.680729      3.326225      4.435033
  C     -10.963793      3.195131      4.003303
  N     -11.383379      2.688379      2.862355
  C     -10.404207      2.216729      2.030492
  C     -10.739710      1.684289      0.763392
  C      -9.729044      1.216741     -0.046231
  C      -8.396357      1.258268      0.416599
  N      -8.038021      1.754924      1.594512
  C      -9.027117      2.244591      2.385747
  C      -2.195301     -0.503292      4.265645
  C      -1.934687     -0.385679      2.757059
  C      -2.478439     -1.626787      2.064629
  O      -2.268385     -1.617588      0.627324
  C      -3.069839     -0.875379     -0.129676
  N      -4.014272     -0.104938      0.393084
  C      -4.759436      0.636609     -0.472656
  N      -4.695306      0.663762     -1.783867
  C      -3.744157     -0.151505     -2.343188
  C      -3.593469     -0.214409     -3.748115
  C      -2.619043     -1.037038     -4.271198
  C      -1.803360     -1.788978     -3.392620
  N      -1.913196     -1.759276     -2.071564
  C      -2.870910     -0.952487     -1.555446
  C      -6.074569      0.238821      6.571696
  C      -5.679733     -1.209892      6.908385
  C      -6.627636     -2.237635      6.321160
  O      -6.390735     -2.339633      4.885175
  C      -7.359529     -2.001057      4.031871
  N      -8.491438     -1.465112      4.448337
  C      -9.436895     -1.196605      3.509692
  N      -9.375087     -1.418933      2.213037
  C      -8.197217     -1.954693      1.763606
  C      -8.015916     -2.222728      0.385544
  C      -6.813607     -2.747443     -0.037470
  C      -5.800304     -3.001065      0.915287
  N      -5.929829     -2.769806      2.214947
  C      -7.113420     -2.258908      2.634694
  H      -4.359229      5.382763      3.594498
  H      -5.091685      3.832633      3.139102
  H      -5.971031      5.559034      5.535409
  H      -6.743564      5.543146      3.950301
  H      -7.964318      4.133633      5.626159
  H      -6.518450      3.090922      5.800549
  H     -11.727194      3.567937      4.692554
  H     -11.788867      1.657380      0.466511
  H      -9.940767      0.801290     -1.031806
  H      -7.597631      0.855895     -0.210834
  H      -1.441110     -1.159056      4.733356
  H      -3.166824     -1.002616      4.411757
  H      -0.862540     -0.261200      2.544511
  H      -2.458508      0.503523      2.380279
  H      -3.551683     -1.754580      2.269782
  H      -1.950798     -2.532281      2.391967
  H      -5.492287      1.296696      0.001564
  H      -4.249236      0.390542     -4.375857
  H      -2.466518     -1.116010     -5.348357
  H      -1.027198     -2.443882     -3.799282
  H      -6.469342      0.284369      5.549288
  H      -6.885704      0.567426      7.248974
  H      -4.666162     -1.403468      6.520301
  H      -5.641888     -1.361822      7.998276
  H      -7.681171     -1.989237      6.499806
  H      -6.411563     -3.240974      6.712109
  H     -10.358568     -0.746803      3.892088
  H      -8.834374     -2.006228     -0.302533
  H      -6.631524     -2.968329     -1.090108
  H      -4.840068     -3.412237      0.588424
  N      -4.838132      1.252036      3.793059
  N      -5.518563      0.784459      2.796855
  H      -6.363706      1.305389      2.463884
  H      -4.985344      0.233924      2.095057
99
Coordinates from ORCA-job orca E -6533.009979171239
  N      -3.936107      3.778631      4.880557
  Mo     -3.871551      1.821062      5.160759
  N      -4.947552      1.159683      6.666386
  C      -4.427245      1.343323      8.022032
  C      -3.542864      2.580474      8.074357
  N      -2.613473      2.581102      6.913386
  C      -2.157397      3.943303      6.540978
  C      -3.281367      4.675901      5.833921
  C      -1.466688      1.651591      7.097254
  C      -1.022005      1.156723      5.725807
  N      -2.217475      0.769820      4.980698
  H      -2.866560      5.550334      5.301142
  H      -4.007254      5.078684      6.565601
  H      -1.311334      3.820966      5.850931
  H      -1.801422      4.495550      7.427236
  H      -0.348566      0.292938      5.846726
  H      -0.446275      1.934691      5.192260
  H      -1.824431      0.795275      7.683965
  H      -0.654277      2.145115      7.657593
  H      -5.263434      1.471742      8.733113
  H      -3.868101      0.448147      8.355106
  H      -4.173589      3.476224      7.991279
  H      -2.982302      2.642290      9.022404
  C      -4.865897      4.478657      3.989634
  C      -6.177459      4.921999      4.657398
  C      -7.060489      3.781351      5.129160
  O      -7.440183      2.975829      3.974354
  C      -8.732963      2.883220      3.642770
  N      -9.684998      3.365008      4.415459
  C     -10.965586      3.245037      3.973259
  N     -11.381345      2.727843      2.835472
  C     -10.400890      2.231699      2.019529
  C     -10.731374      1.685143      0.757039
  C      -9.719386      1.192424     -0.035931
  C      -8.390611      1.223801      0.438839
  N      -8.037073      1.733624      1.612433
  C      -9.026976      2.247059      2.387284
  C      -2.197228     -0.507213      4.263125
  C      -1.936786     -0.386322      2.754635
  C      -2.482792     -1.624802      2.059029
  O      -2.271058     -1.612905      0.621894
  C      -3.069231     -0.866587     -0.134624
  N      -4.014150     -0.096734      0.388257
  C      -4.756125      0.648856     -0.476828
  N      -4.688541      0.680182     -1.787776
  C      -3.737626     -0.135170     -2.347452
  C      -3.583719     -0.193932     -3.752244
  C      -2.609702     -1.016858     -4.275612
  C      -1.797578     -1.773131     -3.397492
  N      -1.910423     -1.747339     -2.076604
  C      -2.867681     -0.940203     -1.560209
  C      -6.073802      0.236838      6.579492
  C      -5.676496     -1.211817      6.913758
  C      -6.624057     -2.239966      6.326692
  O      -6.389575     -2.338404      4.890045
  C      -7.364512     -2.010760      4.039542
  N      -8.502222     -1.490084      4.459574
  C      -9.454370     -1.234860      3.523961
  N      -9.394171     -1.457578      2.227312
  C      -8.210428     -1.976942      1.774094
  C      -8.030132     -2.243111      0.395551
  C      -6.821491     -2.749572     -0.031575
  C      -5.800759     -2.986689      0.917578
  N      -5.929284     -2.757277      2.217687
  C      -7.119180     -2.264742      2.641493
  H      -4.357483      5.373727      3.587691
  H      -5.094809      3.824026      3.138973
  H      -5.967960      5.564278      5.527817
  H      -6.740399      5.543500      3.943004
  H      -7.966564      4.147152      5.624912
  H      -6.524574      3.100098      5.806128
  H     -11.730378      3.637741      4.649816
  H     -11.777969      1.667453      0.450481
  H      -9.927488      0.764995     -1.017139
  H      -7.591038      0.801443     -0.174290
  H      -1.442771     -1.163872      4.729117
  H      -3.168577     -1.007037      4.408538
  H      -0.864481     -0.263263      2.542152
  H      -2.459140      0.504741      2.380235
  H      -3.556507     -1.750885      2.262956
  H      -1.957248     -2.532075      2.384902
  H      -5.489201      1.308569     -0.002282
  H      -4.236750      0.414239     -4.379760
  H      -2.454876     -1.092887     -5.352660
  H      -1.021912     -2.428419     -3.804418
  H      -6.471662      0.282640      5.558292
  H      -6.883219      0.564304      7.259389
  H      -4.663460     -1.403472      6.523273
  H      -5.636169     -1.365188      8.003332
  H      -7.677659     -1.993572      6.507728
  H      -6.405672     -3.243715      6.715340
  H     -10.381030     -0.798010      3.909299
  H      -8.854262     -2.039377     -0.289685
  H      -6.639878     -2.968306     -1.084747
  H      -4.835191     -3.382251      0.587202
  N      -4.841174      1.246094      3.797141
  N      -5.521900      0.777919      2.801632
  H      -6.368793      1.297387      2.469589
  H      -4.988378      0.229239      2.098368
99
Coordinates from ORCA-job orca E -6533.009990183999
  N      -3.937563      3.781521      4.880944
  Mo     -3.872201      1.823891      5.160092
  N      -4.948440      1.162105      6.665475
  C      -4.427755      1.344279      8.021185
  C      -3.543244      2.581269      8.074629
  N      -2.614445      2.583297      6.913153
  C      -2.159458      3.946101      6.541708
  C      -3.284648      4.678215      5.836026
  C      -1.467173      1.654234      7.095814
  C      -1.022509      1.160267      5.724014
  N      -2.217953      0.772752      4.979093
  H      -2.871489      5.554410      5.304975
  H      -4.011273      5.078144      6.568562
  H      -1.313881      3.825061      5.850727
  H      -1.803326      4.497777      7.428293
  H      -0.348636      0.296848      5.844737
  H      -0.447247      1.938626      5.190560
  H      -1.824615      0.797322      7.681798
  H      -0.654916      2.147500      7.656588
  H      -5.263677      1.472081      8.732662
  H      -3.868655      0.448750      8.353260
  H      -4.173996      3.477105      7.993131
  H      -2.982094      2.641840      9.022418
  C      -4.869720      4.481544      3.992501
  C      -6.181587      4.917932      4.664117
  C      -7.058035      3.771685      5.134894
  O      -7.436726      2.967032      3.979083
  C      -8.729294      2.876137      3.646180
  N      -9.681666      3.352962      4.421479
  C     -10.962334      3.232333      3.979799
  N     -11.378019      2.718283      2.840650
  C     -10.397288      2.228135      2.021547
  C     -10.727782      1.686391      0.756883
  C      -9.715325      1.201745     -0.040406
  C      -8.385680      1.236915      0.431683
  N      -8.032360      1.741510      1.607599
  C      -9.022960      2.245957      2.387526
  C      -2.196779     -0.505027      4.262572
  C      -1.938820     -0.386616      2.753360
  C      -2.486563     -1.626215      2.061182
  O      -2.276596     -1.618469      0.623752
  C      -3.072166     -0.869674     -0.132892
  N      -4.013421     -0.095885      0.390346
  C      -4.752162      0.653942     -0.473967
  N      -4.685534      0.684606     -1.784941
  C      -3.739659     -0.136259     -2.345242
  C      -3.588095     -0.196992     -3.750122
  C      -2.619332     -1.025709     -4.274225
  C      -1.810115     -1.785768     -3.396772
  N      -1.920852     -1.758185     -2.075746
  C      -2.872931     -0.945418     -1.558645
  C      -6.074607      0.239149      6.577926
  C      -5.677812     -1.209752      6.911569
  C      -6.626180     -2.237232      6.324648
  O      -6.389914     -2.338264      4.888472
  C      -7.361848     -2.007814      4.035573
  N      -8.497571     -1.480022      4.452201
  C      -9.446213     -1.220881      3.514120
  N      -9.384580     -1.446683      2.218078
  C      -8.202951     -1.974046      1.768361
  C      -8.021218     -2.243879      0.390711
  C      -6.814275     -2.757044     -0.033153
  C      -5.796694     -2.997571      0.918445
  N      -5.926847     -2.765219      2.217862
  C      -7.115072     -2.265986      2.638460
  H      -4.364575      5.379337      3.592393
  H      -5.097598      3.828468      3.140392
  H      -5.972550      5.558844      5.535707
  H      -6.749014      5.538749      3.952592
  H      -7.964715      4.131395      5.633967
  H      -6.516454      3.091197      5.808078
  H     -11.727407      3.620505      4.658644
  H     -11.774714      1.666667      0.451641
  H      -9.923429      0.778799     -1.023566
  H      -7.585142      0.822992     -0.185967
  H      -1.440439     -1.159721      4.728277
  H      -3.167051     -1.006220      4.410391
  H      -0.866782     -0.264356      2.538998
  H      -2.461412      0.504031      2.378321
  H      -3.560084     -1.750808      2.266903
  H      -1.961901     -2.533339      2.388832
  H      -5.481302      1.317079      0.001587
  H      -4.238823      0.414139     -4.377206
  H      -2.466645     -1.103610     -5.351427
  H      -1.038816     -2.445665     -3.804374
  H      -6.472467      0.285510      5.556758
  H      -6.884070      0.566272      7.258000
  H      -4.665036     -1.402005      6.520705
  H      -5.637063     -1.363299      8.001079
  H      -7.679602     -1.988912      6.503933
  H      -6.410093     -3.240683      6.715154
  H     -10.371013     -0.777614      3.896743
  H      -8.842618     -2.036688     -0.296886
  H      -6.631792     -2.978330     -1.085685
  H      -4.832335     -3.398043      0.590683
  N      -4.842403      1.249436      3.796790
  N      -5.524434      0.780954      2.802259
  H      -6.369111      1.303485      2.468026
  H      -4.990524      0.232744      2.098761
99
Coordinates from ORCA-job orca E -6533.009997936308
  N      -3.938606      3.775701      4.876276
  Mo     -3.870893      1.818797      5.161096
  N      -4.946459      1.161713      6.669003
  C      -4.423883      1.346144      8.023649
  C      -3.539514      2.583479      8.073463
  N      -2.612136      2.583414      6.910788
  C      -2.158796      3.945623      6.535043
  C      -3.285254      4.675087      5.828549
  C      -1.463800      1.655888      7.094476
  C      -1.020088      1.158307      5.723704
  N      -2.215857      0.768266      4.980674
  H      -2.873052      5.550250      5.295053
  H      -4.011327      5.076467      6.560875
  H      -1.313859      3.823307      5.843458
  H      -1.802107      4.500054      7.419695
  H      -0.346045      0.295302      5.846606
  H      -0.445089      1.935157      5.187696
  H      -1.819715      0.800296      7.683401
  H      -0.651254      2.151494      7.652829
  H      -5.258761      1.475191      8.736065
  H      -3.864228      0.451264      8.356486
  H      -4.170614      3.478929      7.990793
  H      -2.977139      2.646196      9.020367
  C      -4.872884      4.473024      3.988173
  C      -6.184114      4.908891      4.661578
  C      -7.057386      3.761736      5.136188
  O      -7.437890      2.953624      3.983384
  C      -8.728968      2.877042      3.641323
  N      -9.681078      3.372662      4.405045
  C     -10.960046      3.262485      3.955644
  N     -11.374064      2.740939      2.819307
  C     -10.393391      2.232666      2.011260
  C     -10.721427      1.681939      0.749813
  C      -9.708757      1.181666     -0.037558
  C      -8.381292      1.211153      0.440830
  N      -8.030720      1.722322      1.614706
  C      -9.021188      2.240636      2.385483
  C      -2.191980     -0.508628      4.262798
  C      -1.937268     -0.388170      2.753088
  C      -2.487709     -1.626187      2.060130
  O      -2.280698     -1.616558      0.622242
  C      -3.075421     -0.864231     -0.131738
  N      -4.015160     -0.090432      0.394230
  C      -4.750226      0.666705     -0.466974
  N      -4.681041      0.704662     -1.777625
  C      -3.737131     -0.116302     -2.340976
  C      -3.583342     -0.169352     -3.745933
  C      -2.616868     -0.998714     -4.273194
  C      -1.812126     -1.767104     -3.398816
  N      -1.924697     -1.746466     -2.077820
  C      -2.874574     -0.933106     -1.557619
  C      -6.073844      0.240049      6.584151
  C      -5.678333     -1.209694      6.915612
  C      -6.629177     -2.234411      6.328051
  O      -6.392756     -2.334561      4.891730
  C      -7.365519     -2.006195      4.039010
  N      -8.499983     -1.475516      4.455348
  C      -9.449700     -1.218312      3.517881
  N      -9.390865     -1.449635      2.222663
  C      -8.210673     -1.980510      1.773188
  C      -8.032449     -2.257606      0.396532
  C      -6.826678     -2.773209     -0.027691
  C      -5.806950     -3.009319      0.922646
  N      -5.934160     -2.771075      2.221293
  C      -7.121212     -2.269427      2.642351
  H      -4.369809      5.370568      3.585048
  H      -5.101861      3.817776      3.138062
  H      -5.974057      5.551716      5.531504
  H      -6.754236      5.527398      3.950121
  H      -7.963267      4.120703      5.637210
  H      -6.512405      3.082761      5.808045
  H     -11.725059      3.666680      4.625124
  H     -11.766746      1.668538      0.438790
  H      -9.915146      0.751498     -1.017923
  H      -7.580273      0.787053     -0.169213
  H      -1.432739     -1.161332      4.726631
  H      -3.160516     -1.012766      4.411953
  H      -0.865649     -0.266615      2.536198
  H      -2.459860      0.503532      2.380627
  H      -3.560851     -1.750310      2.268208
  H      -1.963151     -2.534266      2.385196
  H      -5.478024      1.329592      0.011140
  H      -4.230537      0.448067     -4.370532
  H      -2.462528     -1.070752     -5.350564
  H      -1.042756     -2.427710     -3.808957
  H      -6.474450      0.287514      5.564081
  H      -6.880886      0.567855      7.266729
  H      -4.666265     -1.402726      6.523328
  H      -5.636671     -1.364707      8.004863
  H      -7.681940     -1.983132      6.507141
  H      -6.416364     -3.238821      6.717974
  H     -10.372760     -0.771403      3.900277
  H      -8.855595     -2.053756     -0.289925
  H      -6.646845     -3.000013     -1.079469
  H      -4.843583     -3.411949      0.594571
  N      -4.840995      1.240151      3.799679
  N      -5.521996      0.769175      2.805757
  H      -6.372727      1.285080      2.475088
  H      -4.985421      0.227150      2.099280
99
Coordinates from ORCA-job orca E -6533.010004995109
  N      -3.950593      3.775368      4.886101
  Mo     -3.867280      1.818533      5.167406
  N      -4.935998      1.152762      6.676709
  C      -4.409509      1.334560      8.030092
  C      -3.532827      2.577347      8.081772
  N      -2.610118      2.588355      6.915439
  C      -2.169389      3.955344      6.542070
  C      -3.304482      4.677102      5.841158
  C      -1.453782      1.669659      7.092496
  C      -1.010768      1.178071      5.719397
  N      -2.205916      0.778690      4.980076
  H      -2.902191      5.558792      5.310801
  H      -4.033034      5.067674      6.576923
  H      -1.326048      3.842152      5.846863
  H      -1.814170      4.510199      7.427073
  H      -0.329258      0.320631      5.839551
  H      -0.443904      1.960151      5.182418
  H      -1.801174      0.809853      7.680298
  H      -0.643415      2.169965      7.649748
  H      -5.242309      1.455513      8.746185
  H      -3.843168      0.441937      8.357235
  H      -4.170152      3.468887      8.005882
  H      -2.966882      2.639713      9.026550
  C      -4.890546      4.467444      3.999394
  C      -6.205524      4.890750      4.673775
  C      -7.070420      3.735059      5.143850
  O      -7.446588      2.926944      3.989280
  C      -8.733424      2.874639      3.626698
  N      -9.687520      3.387650      4.376356
  C     -10.961893      3.297760      3.909855
  N     -11.369193      2.780546      2.769155
  C     -10.386114      2.257273      1.974004
  C     -10.706180      1.711144      0.708415
  C      -9.690993      1.198215     -0.067338
  C      -8.368761      1.211326      0.426163
  N      -8.025993      1.716289      1.604878
  C      -9.018701      2.245569      2.365364
  C      -2.174014     -0.499008      4.263689
  C      -1.931293     -0.380586      2.751689
  C      -2.482798     -1.622838      2.067084
  O      -2.283564     -1.621387      0.628026
  C      -3.078737     -0.868619     -0.125022
  N      -4.013803     -0.090716      0.402854
  C      -4.748620      0.669207     -0.456372
  N      -4.684212      0.704636     -1.767252
  C      -3.747337     -0.122933     -2.332838
  C      -3.601059     -0.180988     -3.738244
  C      -2.641561     -1.016967     -4.267967
  C      -1.836360     -1.786897     -3.395630
  N      -1.941927     -1.761646     -2.074142
  C      -2.884882     -0.941912     -1.551564
  C      -6.059383      0.226290      6.591780
  C      -5.656961     -1.224025      6.912121
  C      -6.609984     -2.247793      6.326164
  O      -6.381715     -2.342900      4.888229
  C      -7.358851     -2.010298      4.042216
  N      -8.488956     -1.476867      4.466662
  C      -9.443246     -1.213530      3.535571
  N      -9.392513     -1.440808      2.239359
  C      -8.217133     -1.975207      1.781477
  C      -8.047809     -2.248479      0.402984
  C      -6.846182     -2.766443     -0.030076
  C      -5.821420     -3.008342      0.913379
  N      -5.940443     -2.773900      2.213516
  C      -7.123612     -2.270480      2.643267
  H      -4.394670      5.370209      3.599076
  H      -5.113233      3.812798      3.147227
  H      -6.000372      5.531991      5.546041
  H      -6.780058      5.507862      3.964622
  H      -7.978427      4.085460      5.647041
  H      -6.519377      3.057021      5.811502
  H     -11.729113      3.717145      4.567396
  H     -11.747592      1.712263      0.384234
  H      -9.891480      0.771568     -1.050436
  H      -7.565255      0.780688     -0.175956
  H      -1.404902     -1.143042      4.723288
  H      -3.136376     -1.012405      4.421179
  H      -0.861774     -0.255761      2.526552
  H      -2.460046      0.508160      2.381230
  H      -3.554542     -1.748598      2.281701
  H      -1.955099     -2.528355      2.394216
  H      -5.470184      1.336858      0.024309
  H      -4.248286      0.437619     -4.361453
  H      -2.493252     -1.093199     -5.345854
  H      -1.072801     -2.452837     -3.807907
  H      -6.465987      0.278410      5.574202
  H      -6.864214      0.546249      7.280746
  H      -4.647521     -1.412592      6.510932
  H      -5.606096     -1.384823      8.000112
  H      -7.661994     -1.997944      6.511839
  H      -6.394524     -3.253329      6.711693
  H     -10.361805     -0.762970      3.924593
  H      -8.873765     -2.039231     -0.278568
  H      -6.673571     -2.990229     -1.083754
  H      -4.860958     -3.411927      0.578093
  N      -4.837080      1.236134      3.807762
  N      -5.518794      0.760716      2.816449
  H      -6.369979      1.276226      2.485034
  H      -4.978464      0.227796      2.105614
99
Coordinates from ORCA-job orca E -6533.010011239715
  N      -3.961367      3.768348      4.887399
  Mo     -3.870190      1.811995      5.171046
  N      -4.931930      1.147481      6.685934
  C      -4.399450      1.330837      8.036821
  C      -3.524776      2.575287      8.083445
  N      -2.607807      2.587314      6.912466
  C      -2.173037      3.955090      6.534918
  C      -3.313716      4.672644      5.839084
  C      -1.447831      1.672316      7.085204
  C      -1.009664      1.179509      5.710970
  N      -2.206879      0.775747      4.977214
  H      -2.916714      5.555432      5.306693
  H      -4.039887      5.061183      6.578183
  H      -1.333271      3.843313      5.835340
  H      -1.814718      4.512222      7.417182
  H      -0.325635      0.323832      5.830099
  H      -0.446627      1.961857      5.170221
  H      -1.789553      0.812402      7.676275
  H      -0.636275      2.176016      7.637601
  H      -5.229222      1.450921      8.756862
  H      -3.829910      0.439250      8.361973
  H      -4.164244      3.465615      8.010171
  H      -2.954187      2.639268      9.025324
  C      -4.907329      4.457359      4.004642
  C      -6.221111      4.876793      4.684328
  C      -7.081096      3.718086      5.156129
  O      -7.459513      2.909072      4.002927
  C      -8.741615      2.884354      3.621249
  N      -9.695018      3.423313      4.353302
  C     -10.964835      3.353142      3.871324
  N     -11.367877      2.830643      2.731493
  C     -10.384810      2.282545      1.953259
  C     -10.699262      1.729053      0.689447
  C      -9.683489      1.194212     -0.070659
  C      -8.366222      1.194100      0.436127
  N      -8.029364      1.703535      1.614562
  C      -9.022382      2.252287      2.360525
  C      -2.172490     -0.500862      4.258895
  C      -1.935855     -0.380287      2.745925
  C      -2.492881     -1.620472      2.061960
  O      -2.294523     -1.621053      0.622819
  C      -3.083767     -0.862439     -0.130447
  N      -4.014591     -0.079342      0.396915
  C      -4.743651      0.685880     -0.462527
  N      -4.677664      0.721668     -1.773356
  C      -3.746121     -0.112004     -2.338546
  C      -3.599137     -0.170463     -3.743934
  C      -2.645337     -1.013159     -4.273311
  C      -1.846393     -1.789382     -3.400682
  N      -1.952718     -1.763793     -2.079186
  C      -2.889992     -0.937293     -1.556937
  C      -6.055669      0.221161      6.606224
  C      -5.652473     -1.229651      6.923405
  C      -6.606669     -2.251575      6.336273
  O      -6.376232     -2.345141      4.898609
  C      -7.352455     -2.014408      4.050955
  N      -8.483284     -1.480543      4.472617
  C      -9.435564     -1.217444      3.539380
  N      -9.382571     -1.446242      2.243469
  C      -8.206241     -1.981102      1.788597
  C      -8.033734     -2.254878      0.410656
  C      -6.830333     -2.771143     -0.019780
  C      -5.807191     -3.011276      0.925847
  N      -5.929676     -2.777274      2.225668
  C      -7.114342     -2.275256      2.652766
  H      -4.416055      5.361691      3.601864
  H      -5.131622      3.801667      3.153453
  H      -6.014305      5.517905      5.556292
  H      -6.800077      5.492909      3.977897
  H      -7.987913      4.065459      5.663462
  H      -6.525060      3.040050      5.819241
  H     -11.731936      3.794418      4.514460
  H     -11.736921      1.742724      0.353751
  H      -9.879844      0.761283     -1.051880
  H      -7.561774      0.749358     -0.154416
  H      -1.399104     -1.142086      4.714897
  H      -3.132275     -1.018288      4.419455
  H      -0.867005     -0.257898      2.516400
  H      -2.463823      0.510504      2.379051
  H      -3.564978     -1.742230      2.277562
  H      -1.968531     -2.527950      2.389087
  H      -5.462403      1.356957      0.017963
  H      -4.241452      0.452965     -4.367390
  H      -2.496743     -1.089990     -5.351184
  H      -1.087480     -2.460979     -3.812684
  H      -6.467679      0.274460      5.590816
  H      -6.856642      0.540682      7.299769
  H      -4.643729     -1.417563      6.520324
  H      -5.599844     -1.392498      8.011093
  H      -7.658461     -1.999689      6.520558
  H      -6.393941     -3.257942      6.721353
  H     -10.354527     -0.765984      3.926199
  H      -8.858510     -2.047049     -0.272596
  H      -6.655132     -2.994817     -1.073008
  H      -4.845096     -3.412942      0.592716
  N      -4.843732      1.224741      3.816408
  N      -5.527699      0.745797      2.828342
  H      -6.383578      1.256512      2.500346
  H      -4.987947      0.215576      2.114861
99
Coordinates from ORCA-job orca E -6533.010022062857
  N      -3.963731      3.772166      4.890481
  Mo     -3.869140      1.815072      5.169352
  N      -4.931301      1.146588      6.682201
  C      -4.399226      1.326976      8.033626
  C      -3.525607      2.572106      8.083698
  N      -2.608457      2.588204      6.912940
  C      -2.175524      3.957404      6.538465
  C      -3.317095      4.675007      5.844302
  C      -1.446749      1.675174      7.083919
  C      -1.008077      1.185577      5.708779
  N      -2.204737      0.780679      4.974739
  H      -2.921411      5.559773      5.314103
  H      -4.043869      5.060599      6.584407
  H      -1.335553      3.848366      5.838702
  H      -1.817962      4.513055      7.421973
  H      -0.322439      0.331005      5.826546
  H      -0.446600      1.969749      5.169114
  H      -1.786179      0.813618      7.673861
  H      -0.636044      2.179704      7.636710
  H      -5.229212      1.444392      8.753785
  H      -3.828950      0.435093      8.356545
  H      -4.165944      3.461987      8.012776
  H      -2.955227      2.634160      9.025821
  C      -4.913081      4.461887      4.012063
  C      -6.224716      4.880773      4.696221
  C      -7.082186      3.721693      5.171376
  O      -7.463101      2.910688      4.020518
  C      -8.742574      2.900138      3.629368
  N      -9.695030      3.454225      4.351330
  C     -10.962700      3.391453      3.862645
  N     -11.364292      2.861104      2.725797
  C     -10.381809      2.297273      1.958052
  C     -10.694384      1.733080      0.698563
  C      -9.678917      1.182820     -0.050959
  C      -8.363981      1.179038      0.461937
  N      -8.028860      1.698257      1.636419
  C      -9.021631      2.260761      2.372221
  C      -2.169666     -0.496809      4.258073
  C      -1.934652     -0.377977      2.744716
  C      -2.493852     -1.618623      2.063228
  O      -2.296208     -1.622319      0.624130
  C      -3.085278     -0.864025     -0.129675
  N      -4.015304     -0.079558      0.397365
  C      -4.745464      0.683592     -0.462981
  N      -4.681110      0.716423     -1.774008
  C      -3.750483     -0.118664     -2.338606
  C      -3.604832     -0.179853     -3.744056
  C      -2.651622     -1.023639     -4.272716
  C      -1.851866     -1.798100     -3.399332
  N      -1.956894     -1.769986     -2.077800
  C      -2.893549     -0.942381     -1.556249
  C      -6.055624      0.221284      6.599844
  C      -5.653959     -1.230311      6.915608
  C      -6.608169     -2.251069      6.326129
  O      -6.375319     -2.344610      4.888864
  C      -7.351835     -2.018921      4.039604
  N      -8.486443     -1.491741      4.459403
  C      -9.439351     -1.236109      3.524700
  N      -9.384064     -1.467433      2.229327
  C      -8.204041     -1.995628      1.776461
  C      -8.028541     -2.271134      0.399255
  C      -6.821341     -2.780438     -0.028989
  C      -5.797344     -3.011685      0.918035
  N      -5.922712     -2.776133      2.217304
  C      -7.110973     -2.280864      2.642168
  H      -4.423431      5.366929      3.608947
  H      -5.139819      3.807179      3.160716
  H      -6.015539      5.522105      5.567467
  H      -6.806296      5.496631      3.991779
  H      -7.987473      4.068975      5.681497
  H      -6.523603      3.044086      5.832661
  H     -11.729407      3.845339      4.497470
  H     -11.730333      1.750900      0.357732
  H      -9.873857      0.741031     -1.028499
  H      -7.560036      0.722154     -0.119807
  H      -1.395462     -1.136877      4.714202
  H      -3.128906     -1.014881      4.420067
  H      -0.866007     -0.257159      2.513539
  H      -2.462136      0.512938      2.377544
  H      -3.566097     -1.738427      2.278987
  H      -1.970607     -2.526177      2.392060
  H      -5.463609      1.356053      0.016578
  H      -4.247520      0.442467     -4.368128
  H      -2.504001     -1.102592     -5.350551
  H      -1.093335     -2.470525     -3.810687
  H      -6.466960      0.276611      5.584234
  H      -6.856894      0.540305      7.293353
  H      -4.644812     -1.418717      6.513743
  H      -5.602759     -1.394387      8.003185
  H      -7.660114     -1.998396      6.508666
  H      -6.396860     -3.257810      6.711053
  H     -10.362188     -0.791438      3.910051
  H      -8.854229     -2.070549     -0.285098
  H      -6.643635     -3.005244     -1.081554
  H      -4.832077     -3.407234      0.586608
  N      -4.840330      1.229705      3.812216
  N      -5.521883      0.752032      2.821728
  H      -6.381490      1.258438      2.497666
  H      -4.979685      0.229959      2.104193
99
Coordinates from ORCA-job orca E -6533.010036393328
  N      -3.970004      3.776403      4.899195
  Mo     -3.865494      1.818705      5.170980
  N      -4.923297      1.141224      6.682785
  C      -4.390052      1.318196      8.034139
  C      -3.521591      2.566758      8.088151
  N      -2.606383      2.591815      6.916193
  C      -2.181146      3.964716      6.546203
  C      -3.327375      4.678911      5.856075
  C      -1.439325      1.684763      7.082428
  C      -1.001038      1.201398      5.704981
  N      -2.197018      0.791723      4.972417
  H      -2.937056      5.568013      5.329095
  H      -4.055668      5.057398      6.598398
  H      -1.341424      3.862694      5.845013
  H      -1.825400      4.519014      7.431307
  H      -0.310236      0.350492      5.818809
  H      -0.445367      1.990173      5.166145
  H      -1.772091      0.819669      7.671074
  H      -0.630241      2.192642      7.634588
  H      -5.219487      1.429277      8.755797
  H      -3.815763      0.427370      8.352563
  H      -4.165826      3.454141      8.021999
  H      -2.950063      2.627300      9.029652
  C      -4.924238      4.464116      4.024685
  C      -6.237788      4.871499      4.711804
  C      -7.087164      3.704163      5.181346
  O      -7.465387      2.896585      4.027271
  C      -8.742092      2.898326      3.626967
  N      -9.693941      3.460380      4.343595
  C     -10.959366      3.408038      3.847990
  N     -11.359164      2.880088      2.709413
  C     -10.376937      2.309093      1.946615
  C     -10.687839      1.746714      0.685949
  C      -9.672668      1.190002     -0.059118
  C      -8.359943      1.178831      0.459184
  N      -8.026222      1.695684      1.635103
  C      -9.018846      2.263415      2.367081
  C      -2.159292     -0.486987      4.258323
  C      -1.928287     -0.370301      2.744198
  C      -2.487160     -1.613378      2.066821
  O      -2.291208     -1.621608      0.627547
  C      -3.083253     -0.868044     -0.127928
  N      -4.012784     -0.081685      0.397575
  C      -4.746339      0.675467     -0.465037
  N      -4.685534      0.701442     -1.776378
  C      -3.754511     -0.134539     -2.338991
  C      -3.611998     -0.202538     -3.744464
  C      -2.658124     -1.046833     -4.271057
  C      -1.854692     -1.815100     -3.395587
  N      -1.956853     -1.780716     -2.074011
  C      -2.894128     -0.952575     -1.554493
  C      -6.048110      0.216661      6.598556
  C      -5.647598     -1.236187      6.909522
  C      -6.604474     -2.254140      6.319355
  O      -6.375352     -2.345018      4.881321
  C      -7.353971     -2.017071      4.035251
  N      -8.487812     -1.491408      4.459254
  C      -9.443551     -1.234934      3.527611
  N      -9.391744     -1.463853      2.231636
  C      -8.212664     -1.990476      1.774414
  C      -8.040846     -2.263666      0.396224
  C      -6.835003     -2.772858     -0.035958
  C      -5.808651     -3.006227      0.908052
  N      -5.930290     -2.772214      2.208000
  C      -7.117120     -2.276851      2.636697
  H      -4.440680      5.374022      3.625337
  H      -5.147569      3.811923      3.170587
  H      -6.032205      5.509639      5.586239
  H      -6.823773      5.487388      4.011058
  H      -7.993519      4.043177      5.695219
  H      -6.523341      3.025763      5.837283
  H     -11.725765      3.868308      4.478600
  H     -11.722231      1.771100      0.340768
  H      -9.866176      0.749013     -1.037295
  H      -7.556768      0.716646     -0.119182
  H      -1.381992     -1.123702      4.713958
  H      -3.116502     -1.007867      4.423486
  H      -0.860422     -0.248370      2.509958
  H      -2.458002      0.519029      2.376646
  H      -3.559113     -1.733736      2.283692
  H      -1.962542     -2.519309      2.398023
  H      -5.464126      1.349607      0.012556
  H      -4.257519      0.415277     -4.370165
  H      -2.512691     -1.130790     -5.348785
  H      -1.095531     -2.487771     -3.805189
  H      -6.460692      0.275620      5.583719
  H      -6.848419      0.534033      7.294036
  H      -4.639436     -1.425059      6.505347
  H      -5.594550     -1.403160      7.996523
  H      -7.655654     -2.000509      6.504963
  H      -6.393529     -3.262052      6.701274
  H     -10.365909     -0.792068      3.916341
  H      -8.868498     -2.062167     -0.285554
  H      -6.660109     -2.996174     -1.089340
  H      -4.844667     -3.402315      0.573650
  N      -4.835659      1.233037      3.813247
  N      -5.516371      0.754762      2.822383
  H      -6.374492      1.262064      2.496193
  H      -4.975445      0.226905      2.107916
99
Coordinates from ORCA-job orca E -6533.010075258531
  N      -3.999059      3.786666      4.929760
  Mo     -3.860276      1.827369      5.176206
  N      -4.899655      1.119135      6.686408
  C      -4.359648      1.284809      8.036479
  C      -3.508095      2.544451      8.102282
  N      -2.602527      2.600001      6.924177
  C      -2.204563      3.985062      6.568945
  C      -3.368205      4.687366      5.896255
  C      -1.417144      1.713603      7.071003
  C      -0.983444      1.251404      5.684750
  N      -2.178713      0.825587      4.960069
  H      -2.997881      5.591443      5.380434
  H      -4.099428      5.040527      6.648120
  H      -1.368608      3.906997      5.860222
  H      -1.852107      4.534311      7.458501
  H      -0.275365      0.413016      5.783814
  H      -0.448570      2.055346      5.147621
  H      -1.726128      0.836767      7.655393
  H      -0.612534      2.232364      7.619574
  H      -5.185651      1.374664      8.764887
  H      -3.771237      0.397633      8.338786
  H      -4.165285      3.423391      8.054276
  H      -2.930202      2.599274      9.040199
  C      -4.970043      4.468988      4.069531
  C      -6.287602      4.843096      4.767621
  C      -7.114608      3.653604      5.221694
  O      -7.488412      2.856055      4.059301
  C      -8.750938      2.914071      3.619640
  N      -9.696703      3.520763      4.307439
  C     -10.950003      3.517240      3.779473
  N     -11.342403      2.995563      2.635490
  C     -10.364524      2.382600      1.900124
  C     -10.667456      1.822817      0.636411
  C      -9.656036      1.226874     -0.082925
  C      -8.355514      1.177042      0.463002
  N      -8.029598      1.688161      1.643545
  C      -9.018839      2.290427      2.352295
  C      -2.132764     -0.457556      4.254436
  C      -1.920374     -0.349255      2.736903
  C      -2.480633     -1.600538      2.075836
  O      -2.294490     -1.624963      0.635620
  C      -3.095185     -0.883646     -0.122793
  N      -4.020432     -0.090599      0.400485
  C      -4.762561      0.653273     -0.466141
  N      -4.713708      0.661330     -1.778266
  C      -3.785563     -0.179900     -2.337654
  C      -3.654374     -0.266195     -3.743287
  C      -2.702459     -1.114776     -4.266486
  C      -1.889744     -1.869179     -3.387536
  N      -1.981277     -1.817714     -2.065770
  C      -2.916739     -0.985480     -1.549560
  C      -6.024291      0.194908      6.598449
  C      -5.625202     -1.260308      6.898850
  C      -6.586985     -2.272452      6.306370
  O      -6.359311     -2.361237      4.868089
  C      -7.335592     -2.025177      4.022463
  N      -8.465695     -1.491584      4.446391
  C      -9.418781     -1.227301      3.514130
  N      -9.367419     -1.454270      2.217678
  C      -8.192164     -1.989421      1.760681
  C      -8.021078     -2.263141      0.382455
  C      -6.819622     -2.784028     -0.048373
  C      -5.796714     -3.027869      0.896738
  N      -5.917545     -2.792391      2.196520
  C      -7.099985     -2.285636      2.623885
  H      -4.504970      5.393103      3.680949
  H      -5.185273      3.824972      3.207128
  H      -6.089973      5.471649      5.650813
  H      -6.887098      5.459397      4.078720
  H      -8.022319      3.970133      5.747517
  H      -6.535430      2.972311      5.860566
  H     -11.712116      4.015282      4.386115
  H     -11.692566      1.881059      0.268378
  H      -9.843113      0.785734     -1.062239
  H      -7.556127      0.686495     -0.096691
  H      -1.343016     -1.081416      4.706232
  H      -3.081706     -0.989169      4.433476
  H      -0.856007     -0.224269      2.488664
  H      -2.458352      0.535153      2.369703
  H      -3.550978     -1.721892      2.300043
  H      -1.951459     -2.501264      2.414000
  H      -5.476479      1.333772      0.008111
  H      -4.306371      0.341951     -4.371657
  H      -2.565202     -1.212299     -5.344118
  H      -1.131474     -2.544668     -3.794218
  H      -6.440651      0.262140      5.585615
  H      -6.822140      0.507543      7.299121
  H      -4.618841     -1.449778      6.490595
  H      -5.568833     -1.433521      7.984747
  H      -7.636972     -2.014683      6.493374
  H      -6.380108     -3.282288      6.685489
  H     -10.337860     -0.777265      3.902364
  H      -8.846267     -2.054297     -0.300150
  H      -6.645599     -3.008884     -1.101552
  H      -4.836582     -3.434703      0.564007
  N      -4.830092      1.240290      3.818765
  N      -5.510528      0.759782      2.828955
  H      -6.374903      1.260556      2.508819
  H      -4.971094      0.232051      2.113256
99
Coordinates from ORCA-job orca E -6533.010112493103
  N      -4.033671      3.798349      4.961913
  Mo     -3.856003      1.838257      5.178279
  N      -4.872577      1.094862      6.686561
  C      -4.324203      1.248633      8.034726
  C      -3.492164      2.520571      8.113558
  N      -2.598344      2.610044      6.928961
  C      -2.231773      4.008184      6.590786
  C      -3.415706      4.696194      5.939414
  C      -1.392886      1.747671      7.053664
  C      -0.965769      1.309306      5.657416
  N      -2.160274      0.865433      4.942333
  H      -3.069393      5.617172      5.437090
  H      -4.149136      5.019130      6.702584
  H      -1.401370      3.957747      5.873091
  H      -1.882283      4.551376      7.485206
  H      -0.238286      0.485780      5.738621
  H      -0.455491      2.130263      5.122452
  H      -1.674407      0.858323      7.633361
  H      -0.593370      2.279016      7.597726
  H      -5.145619      1.314197      8.770860
  H      -3.719327      0.366420      8.318628
  H      -4.163606      3.389451      8.085486
  H      -2.906890      2.569539      9.047186
  C      -5.025174      4.474336      4.120173
  C      -6.345747      4.808011      4.832879
  C      -7.144225      3.591853      5.267457
  O      -7.512821      2.807747      4.094465
  C      -8.754993      2.928035      3.610879
  N      -9.692249      3.580781      4.267539
  C     -10.928940      3.628312      3.703823
  N     -11.311895      3.113495      2.553590
  C     -10.340187      2.457067      1.848190
  C     -10.633030      1.899475      0.581040
  C      -9.626582      1.262892     -0.109965
  C      -8.341166      1.174541      0.465939
  N      -8.025497      1.680166      1.651561
  C      -9.010802      2.316988      2.335219
  C      -2.107275     -0.424067      4.248877
  C      -1.914993     -0.328586      2.727700
  C      -2.479739     -1.587837      2.085553
  O      -2.302052     -1.631088      0.644820
  C      -3.106691     -0.898755     -0.118121
  N      -4.024195     -0.093787      0.400756
  C      -4.768817      0.640969     -0.471190
  N      -4.729301      0.630673     -1.783708
  C      -3.808071     -0.221528     -2.337838
  C      -3.685570     -0.326651     -3.743090
  C      -2.739985     -1.185598     -4.260763
  C      -1.924677     -1.931445     -3.376796
  N      -2.008034     -1.862311     -2.055312
  C      -2.937508     -1.020061     -1.544476
  C      -5.997144      0.171051      6.596384
  C      -5.599475     -1.286058      6.887143
  C      -6.568135     -2.291969      6.295511
  O      -6.345994     -2.377801      4.856415
  C      -7.322350     -2.033437      4.014302
  N      -8.447448     -1.491851      4.441509
  C      -9.400571     -1.219769      3.511396
  N      -9.353765     -1.445845      2.214488
  C      -8.183560     -1.989342      1.754241
  C      -8.017429     -2.264374      0.375623
  C      -6.820860     -2.794602     -0.057617
  C      -5.797547     -3.045762      0.885124
  N      -5.913683     -2.808700      2.185091
  C      -7.091547     -2.293449      2.614886
  H      -4.582630      5.414833      3.744721
  H      -5.232306      3.840911      3.247902
  H      -6.156420      5.424010      5.726684
  H      -6.962573      5.424507      4.159527
  H      -8.052676      3.879406      5.808439
  H      -6.545064      2.907985      5.884043
  H     -11.684628      4.165822      4.284210
  H     -11.646181      1.992528      0.187951
  H      -9.805532      0.821059     -1.090472
  H      -7.545880      0.655768     -0.073668
  H      -1.305233     -1.034191      4.697675
  H      -3.047762     -0.965129      4.444256
  H      -0.854299     -0.203511      2.464118
  H      -2.459485      0.551337      2.359500
  H      -3.549042     -1.706674      2.316534
  H      -1.948709     -2.484087      2.432670
  H      -5.476003      1.331854     -0.001930
  H      -4.338656      0.276335     -4.375472
  H      -2.609334     -1.297550     -5.337825
  H      -1.170935     -2.614706     -3.778912
  H      -6.417792      0.245589      5.585862
  H      -6.792116      0.479577      7.302347
  H      -4.595986     -1.477060      6.472687
  H      -5.537637     -1.464480      7.971923
  H      -7.616228     -2.029718      6.487037
  H      -6.364584     -3.303785      6.671106
  H     -10.314828     -0.761527      3.901615
  H      -8.842688     -2.049868     -0.305110
  H      -6.650969     -3.021448     -1.110993
  H      -4.841468     -3.460865      0.550966
  N      -4.825634      1.248063      3.821704
  N      -5.505424      0.764192      2.833709
  H      -6.379436      1.253890      2.521847
  H      -4.967779      0.235655      2.117565
99
Coordinates from ORCA-job orca E -6533.010138411462
  N      -4.042975      3.805831      4.969736
  Mo     -3.857362      1.844743      5.170053
  N      -4.866809      1.085368      6.674245
  C      -4.320021      1.236818      8.023618
  C      -3.494255      2.512358      8.109066
  N      -2.599751      2.610744      6.925953
  C      -2.239263      4.012689      6.596162
  C      -3.427650      4.699708      5.952450
  C      -1.390527      1.752998      7.045837
  C      -0.964175      1.324669      5.645821
  N      -2.158131      0.879707      4.931083
  H      -3.087139      5.626189      5.456607
  H      -4.161511      5.012224      6.719316
  H      -1.410215      3.970620      5.876446
  H      -1.890621      4.551357      7.493613
  H      -0.231076      0.505232      5.717895
  H      -0.461349      2.152759      5.115010
  H      -1.666561      0.859818      7.622562
  H      -0.592625      2.286337      7.590488
  H      -5.142180      1.294097      8.759876
  H      -3.709848      0.356746      8.303427
  H      -4.168710      3.378879      8.083190
  H      -2.910320      2.559384      9.043674
  C      -5.038268      4.484484      4.134138
  C      -6.358352      4.810755      4.851394
  C      -7.150891      3.588846      5.280053
  O      -7.519943      2.810253      4.103967
  C      -8.757946      2.946435      3.613880
  N      -9.689258      3.612665      4.265394
  C     -10.923052      3.674150      3.696578
  N     -11.308201      3.160265      2.546726
  C     -10.342168      2.489638      1.846888
  C     -10.637888      1.930236      0.580962
  C      -9.636822      1.278836     -0.104299
  C      -8.353793      1.179675      0.475149
  N      -8.035840      1.686465      1.659767
  C      -9.016237      2.335760      2.338828
  C      -2.110410     -0.415220      4.247282
  C      -1.917996     -0.329016      2.725582
  C      -2.484059     -1.589578      2.087258
  O      -2.303152     -1.635305      0.646875
  C      -3.107390     -0.905928     -0.119339
  N      -4.026828     -0.101015      0.395892
  C      -4.770423      0.630606     -0.479267
  N      -4.728230      0.617719     -1.791798
  C      -3.804443     -0.234135     -2.342178
  C      -3.677593     -0.340850     -3.747052
  C      -2.729953     -1.199822     -4.260784
  C      -1.916684     -1.944169     -3.373325
  N      -2.003936     -1.873250     -2.052154
  C      -2.935511     -1.030795     -1.545115
  C      -5.989769      0.159729      6.583011
  C      -5.591811     -1.294930      6.883533
  C      -6.559277     -2.304074      6.296138
  O      -6.337999     -2.392840      4.857261
  C      -7.313666     -2.046700      4.015233
  N      -8.436967     -1.500906      4.442026
  C      -9.389016     -1.226294      3.511528
  N      -9.343132     -1.454496      2.214922
  C      -8.174459     -2.001849      1.755109
  C      -8.009418     -2.279801      0.376935
  C      -6.813724     -2.812194     -0.055849
  C      -5.790056     -3.062409      0.886606
  N      -5.905096     -2.822868      2.186257
  C      -7.082666     -2.306592      2.615819
  H      -4.598629      5.428208      3.763150
  H      -5.245811      3.855707      3.258462
  H      -6.169782      5.422995      5.747904
  H      -6.979165      5.428187      4.182528
  H      -8.058473      3.869131      5.826329
  H      -6.546276      2.903863      5.889486
  H     -11.673795      4.223415      4.272246
  H     -11.648792      2.033845      0.184891
  H      -9.817452      0.834472     -1.083382
  H      -7.562540      0.651013     -0.061190
  H      -1.310932     -1.025434      4.700617
  H      -3.052774     -0.951769      4.445861
  H      -0.857094     -0.206810      2.461337
  H      -2.460443      0.550472      2.352913
  H      -3.554102     -1.705715      2.316339
  H      -1.955085     -2.485649      2.437802
  H      -5.480622      1.320808     -0.013370
  H      -4.329028      0.261419     -4.382121
  H      -2.596187     -1.313107     -5.337407
  H      -1.161279     -2.627548     -3.772289
  H      -6.404611      0.228101      5.569771
  H      -6.789119      0.471126      7.282728
  H      -4.587513     -1.487842      6.472043
  H      -5.532398     -1.467114      7.969520
  H      -7.607574     -2.042884      6.487737
  H      -6.353716     -3.314388      6.674691
  H     -10.301149     -0.763005      3.900840
  H      -8.834606     -2.064796     -0.303537
  H      -6.644689     -3.041555     -1.108758
  H      -4.834623     -3.479220      0.552914
  N      -4.826915      1.254235      3.812431
  N      -5.506050      0.770693      2.825151
  H      -6.389748      1.249120      2.521965
  H      -4.971815      0.235624      2.112258
99
Coordinates from ORCA-job orca E -6533.010178432103
  N      -4.058518      3.807819      4.980198
  Mo     -3.861601      1.846545      5.170671
  N      -4.863253      1.073743      6.672812
  C      -4.315058      1.222706      8.021970
  C      -3.497102      2.502993      8.111970
  N      -2.604493      2.611469      6.928169
  C      -2.252453      4.016909      6.603687
  C      -3.446370      4.700239      5.966353
  C      -1.390393      1.760089      7.042113
  C      -0.964785      1.341542      5.638748
  N      -2.157383      0.891899      4.924943
  H      -3.113191      5.631846      5.475236
  H      -4.180601      5.002853      6.736775
  H      -1.425317      3.982704      5.881321
  H      -1.904293      4.553387      7.502680
  H      -0.224835      0.527782      5.703626
  H      -0.470470      2.176780      5.111297
  H      -1.660433      0.862981      7.615360
  H      -0.594569      2.295582      7.587626
  H      -5.135890      1.270593      8.760289
  H      -3.698065      0.345708      8.296143
  H      -4.176314      3.365765      8.090187
  H      -2.912369      2.549329      9.046131
  C      -5.057266      4.486529      4.148296
  C      -6.375859      4.813364      4.868138
  C      -7.165809      3.591793      5.302270
  O      -7.537977      2.806977      4.131464
  C      -8.759692      2.981135      3.613587
  N      -9.677393      3.694444      4.233903
  C     -10.897536      3.788897      3.640435
  N     -11.281245      3.262535      2.495634
  C     -10.327574      2.543996      1.827113
  C     -10.620918      1.967068      0.568307
  C      -9.630526      1.269797     -0.086867
  C      -8.359775      1.144465      0.514388
  N      -8.045458      1.665339      1.693636
  C      -9.015814      2.357116      2.344641
  C      -2.106196     -0.404808      4.244436
  C      -1.920140     -0.321132      2.721730
  C      -2.482769     -1.585178      2.087496
  O      -2.304778     -1.633106      0.646693
  C      -3.113626     -0.908281     -0.119018
  N      -4.039099     -0.111021      0.397108
  C      -4.790104      0.614809     -0.476845
  N      -4.750376      0.600993     -1.789415
  C      -3.822224     -0.245455     -2.340809
  C      -3.699727     -0.354726     -3.745770
  C      -2.748351     -1.208766     -4.260879
  C      -1.927616     -1.946291     -3.374723
  N      -2.010700     -1.872932     -2.053421
  C      -2.945336     -1.034699     -1.545021
  C      -5.981200      0.142101      6.579808
  C      -5.575834     -1.311128      6.877961
  C      -6.539365     -2.323977      6.289703
  O      -6.318044     -2.410378      4.850515
  C      -7.295152     -2.067011      4.009085
  N      -8.420039     -1.525748      4.436997
  C      -9.373443     -1.253455      3.507398
  N      -9.328547     -1.481843      2.210939
  C      -8.158686     -2.025364      1.749946
  C      -7.994266     -2.302255      0.371586
  C      -6.796500     -2.828404     -0.063065
  C      -5.770464     -3.074162      0.877956
  N      -5.885286     -2.836224      2.177943
  C      -7.064680     -2.325841      2.609255
  H      -4.618706      5.430456      3.776428
  H      -5.266518      3.857728      3.273049
  H      -6.185614      5.428345      5.762385
  H      -6.999069      5.428516      4.199430
  H      -8.071516      3.872948      5.851317
  H      -6.557381      2.909016      5.910196
  H     -11.638225      4.376650      4.190561
  H     -11.621404      2.094779      0.153254
  H      -9.809865      0.810374     -1.059190
  H      -7.575894      0.582579      0.001436
  H      -1.301618     -1.009446      4.696140
  H      -3.044596     -0.946304      4.448313
  H      -0.860789     -0.194963      2.453113
  H      -2.467685      0.555518      2.349762
  H      -3.551507     -1.705619      2.319375
  H      -1.949396     -2.478327      2.438736
  H      -5.505395      1.299012     -0.009832
  H      -4.357642      0.241224     -4.379877
  H      -2.617822     -1.323831     -5.337687
  H      -1.169863     -2.626318     -3.774940
  H      -6.395566      0.209450      5.566265
  H      -6.783080      0.448007      7.279140
  H      -4.571149     -1.498933      6.465060
  H      -5.514377     -1.484517      7.963660
  H      -7.588684     -2.067331      6.481926
  H      -6.329744     -3.333827      6.667301
  H     -10.286663     -0.794012      3.897849
  H      -8.821151     -2.090240     -0.307945
  H      -6.627663     -3.055943     -1.116467
  H      -4.812875     -3.484548      0.542567
  N      -4.833062      1.254580      3.814462
  N      -5.514181      0.768233      2.830441
  H      -6.404772      1.239476      2.532604
  H      -4.981567      0.233185      2.116145
99
Coordinates from ORCA-job orca E -6533.010224530443
  N      -4.052872      3.806349      4.974485
  Mo     -3.864522      1.844921      5.172180
  N      -4.871269      1.076467      6.672898
  C      -4.325646      1.228191      8.022785
  C      -3.505945      2.507453      8.110699
  N      -2.608159      2.609152      6.929728
  C      -2.248847      4.012000      6.601890
  C      -3.438452      4.698867      5.959413
  C      -1.399496      1.750982      7.049125
  C      -0.970625      1.330546      5.647346
  N      -2.162187      0.885898      4.929222
  H      -3.101154      5.628128      5.466587
  H      -4.173031      5.005716      6.727887
  H      -1.419824      3.972305      5.881924
  H      -1.900598      4.549495      7.500322
  H      -0.232821      0.515079      5.713387
  H      -0.472597      2.165581      5.122911
  H      -1.679006      0.856032      7.620724
  H      -0.602967      2.281282      7.598621
  H      -5.147139      1.278244      8.759953
  H      -3.709546      0.351662      8.299776
  H      -4.183182      3.371463      8.082011
  H      -2.925071      2.556708      9.047155
  C      -5.046428      4.487633      4.138430
  C      -6.362589      4.827948      4.856388
  C      -7.158126      3.612795      5.298941
  O      -7.536034      2.821053      4.134466
  C      -8.749738      3.013216      3.604297
  N      -9.657102      3.756192      4.204937
  C     -10.872017      3.861678      3.602326
  N     -11.260361      3.317760      2.467198
  C     -10.317564      2.566979      1.819364
  C     -10.615351      1.966395      0.572503
  C      -9.634660      1.237856     -0.062946
  C      -8.367949      1.105650      0.545542
  N      -8.050943      1.647265      1.714281
  C      -9.011634      2.368513      2.346939
  C      -2.112803     -0.409360      4.245624
  C      -1.926890     -0.321701      2.723162
  C      -2.486911     -1.584419      2.084117
  O      -2.310192     -1.624490      0.642604
  C      -3.119458     -0.896009     -0.119426
  N      -4.051028     -0.108246      0.400407
  C      -4.803907      0.621992     -0.468830
  N      -4.760651      0.618755     -1.781217
  C      -3.829212     -0.221203     -2.337036
  C      -3.706963     -0.322171     -3.742396
  C      -2.753235     -1.170479     -4.262709
  C      -1.930488     -1.910927     -3.381219
  N      -2.013362     -1.845405     -2.059493
  C      -2.949756     -1.012339     -1.546055
  C      -5.984283      0.138786      6.578984
  C      -5.571466     -1.312196      6.879555
  C      -6.529289     -2.330889      6.291145
  O      -6.307648     -2.416562      4.851580
  C      -7.290594     -2.089550      4.010354
  N      -8.423591     -1.566043      4.438943
  C      -9.383571     -1.312501      3.510917
  N      -9.339208     -1.547001      2.215722
  C      -8.161860     -2.073463      1.753983
  C      -7.997142     -2.353064      0.376274
  C      -6.790212     -2.855381     -0.061070
  C      -5.755691     -3.075669      0.877132
  N      -5.871403     -2.837114      2.176957
  C      -7.059539     -2.349931      2.610754
  H      -4.600553      5.425957      3.761431
  H      -5.259708      3.854992      3.267110
  H      -6.168168      5.447069      5.746774
  H      -6.982279      5.443065      4.184619
  H      -8.061223      3.900816      5.848657
  H      -6.550100      2.930701      5.908577
  H     -11.604448      4.474931      4.135510
  H     -11.611725      2.101996      0.149893
  H      -9.818485      0.760103     -1.025526
  H      -7.589672      0.521558      0.049435
  H      -1.308012     -1.015680      4.694878
  H      -3.051034     -0.951060      4.449318
  H      -0.867711     -0.192098      2.455599
  H      -2.476845      0.554570      2.353916
  H      -3.554540     -1.709825      2.317683
  H      -1.950010     -2.477794      2.429372
  H      -5.523155      1.298973      0.002495
  H      -4.367657      0.274119     -4.372975
  H      -2.623107     -1.279286     -5.340168
  H      -1.172212     -2.587524     -3.785932
  H      -6.395335      0.201053      5.563791
  H      -6.790571      0.441220      7.274650
  H      -4.565606     -1.495093      6.467081
  H      -5.509615     -1.484146      7.965355
  H      -7.580009     -2.080353      6.483692
  H      -6.313984     -3.339539      6.668700
  H     -10.303120     -0.867097      3.902394
  H      -8.830230     -2.159387     -0.301426
  H      -6.620350     -3.082235     -1.114591
  H      -4.789832     -3.463269      0.538541
  N      -4.838116      1.252066      3.817229
  N      -5.521012      0.762833      2.836603
  H      -6.415512      1.229486      2.539140
  H      -4.988448      0.228356      2.121536
99
Coordinates from ORCA-job orca E -6533.010259989841
  N      -4.064486      3.807931      4.985939
  Mo     -3.865331      1.846711      5.177198
  N      -4.865565      1.067151      6.676457
  C      -4.317659      1.215810      8.025747
  C      -3.504835      2.499133      8.117326
  N      -2.609774      2.611006      6.935181
  C      -2.259659      4.017260      6.612514
  C      -3.454449      4.699523      5.974686
  C      -1.395726      1.759678      7.048398
  C      -0.967652      1.348114      5.643817
  N      -2.157936      0.898380      4.926711
  H      -3.124010      5.633535      5.486193
  H      -4.190084      4.997402      6.745750
  H      -1.431560      3.985709      5.891111
  H      -1.913216      4.553214      7.512561
  H      -0.223663      0.537918      5.704197
  H      -0.477021      2.189227      5.122094
  H      -1.668754      0.860538      7.616597
  H      -0.601189      2.292233      7.598580
  H      -5.137423      1.257961      8.765234
  H      -3.695954      0.341559      8.297266
  H      -4.187033      3.359360      8.092976
  H      -2.922769      2.548122      9.053043
  C      -5.062436      4.487845      4.154224
  C      -6.378550      4.820209      4.875679
  C      -7.168112      3.598884      5.311942
  O      -7.547600      2.812037      4.144698
  C      -8.742625      3.044402      3.589015
  N      -9.631979      3.827900      4.164763
  C     -10.833681      3.966095      3.542514
  N     -11.225404      3.416163      2.411391
  C     -10.299698      2.624219      1.788444
  C     -10.601953      2.010668      0.548987
  C      -9.637181      1.241604     -0.062592
  C      -8.380819      1.084193      0.561242
  N      -8.061080      1.635364      1.724632
  C      -9.007038      2.393701      2.335465
  C      -2.103513     -0.396443      4.242679
  C      -1.927503     -0.307438      2.719218
  C      -2.482100     -1.574520      2.084159
  O      -2.312203     -1.615212      0.641900
  C      -3.129824     -0.893697     -0.117878
  N      -4.064184     -0.110462      0.404023
  C      -4.826053      0.612159     -0.463889
  N      -4.788328      0.605665     -1.776423
  C      -3.853389     -0.229092     -2.334090
  C      -3.736290     -0.332534     -3.739723
  C      -2.778680     -1.175228     -4.262061
  C      -1.946797     -1.907308     -3.382265
  N      -2.024640     -1.839205     -2.060360
  C      -2.964992     -1.011899     -1.544943
  C      -5.975717      0.126337      6.580953
  C      -5.558943     -1.324293      6.877929
  C      -6.515615     -2.343709      6.288887
  O      -6.293394     -2.428908      4.849397
  C      -7.279066     -2.111200      4.007854
  N      -8.415782     -1.595112      4.435540
  C      -9.377995     -1.350932      3.507335
  N      -9.332503     -1.588341      2.212653
  C      -8.151547     -2.107591      1.751915
  C      -7.985504     -2.389765      0.374891
  C      -6.775226     -2.884766     -0.061733
  C      -5.738480     -3.094447      0.876552
  N      -5.855345     -2.853046      2.175758
  C      -7.046740     -2.373456      2.608855
  H      -4.620910      5.429250      3.779962
  H      -5.274533      3.857245      3.281086
  H      -6.185284      5.434964      5.769313
  H      -7.001419      5.437050      4.208576
  H      -8.069913      3.879965      5.867426
  H      -6.554976      2.913755      5.912828
  H     -11.551220      4.614230      4.054289
  H     -11.589048      2.168888      0.112585
  H      -9.825381      0.752377     -1.018537
  H      -7.613376      0.471627      0.083310
  H      -1.291581     -0.996984      4.686769
  H      -3.036468     -0.945160      4.452093
  H      -0.870869     -0.170365      2.445496
  H      -2.486085      0.564674      2.353149
  H      -3.547635     -1.707971      2.323134
  H      -1.936858     -2.463732      2.427285
  H      -5.547934      1.285388      0.008581
  H      -4.404055      0.257278     -4.368989
  H      -2.652233     -1.285614     -5.339785
  H      -1.185327     -2.579284     -3.788591
  H      -6.387737      0.189646      5.566200
  H      -6.782474      0.424521      7.277912
  H      -4.553237     -1.504483      6.463851
  H      -5.495251     -1.498263      7.963258
  H      -7.566641     -2.094316      6.481363
  H      -6.299444     -3.352355      6.665933
  H     -10.300749     -0.911695      3.898354
  H      -8.820423     -2.204068     -0.302828
  H      -6.604359     -3.113424     -1.114679
  H      -4.769987     -3.475858      0.538399
  N      -4.839731      1.251516      3.823535
  N      -5.523626      0.758241      2.845821
  H      -6.423985      1.216640      2.553079
  H      -4.991182      0.226355      2.128521
99
Coordinates from ORCA-job orca E -6533.010297283589
  N      -4.057567      3.803952      4.985111
  Mo     -3.868938      1.842827      5.184790
  N      -4.874727      1.067299      6.682982
  C      -4.329841      1.217961      8.033334
  C      -3.514076      2.499255      8.123078
  N      -2.615407      2.605832      6.943186
  C      -2.258623      4.009763      6.619554
  C      -3.447520      4.695269      5.974389
  C      -1.405666      1.748789      7.060234
  C      -0.973253      1.337397      5.657283
  N      -2.162118      0.892886      4.934195
  H      -3.110759      5.626301      5.484629
  H      -4.184678      4.999281      6.741664
  H      -1.427062      3.973642      5.902470
  H      -1.914439      4.546331      7.520040
  H      -0.232804      0.524190      5.720456
  H      -0.476291      2.177112      5.138949
  H      -1.686690      0.849515      7.624572
  H      -0.610960      2.275627      7.615641
  H      -5.151260      1.264906      8.770867
  H      -3.711582      0.342435      8.309132
  H      -4.194806      3.360706      8.093406
  H      -2.935028      2.550573      9.060531
  C      -5.047699      4.487012      4.147347
  C      -6.362512      4.830662      4.865583
  C      -7.162318      3.615344      5.300070
  O      -7.546877      2.831041      4.132731
  C      -8.733765      3.084558      3.569900
  N      -9.604546      3.898603      4.131690
  C     -10.801943      4.055632      3.505801
  N     -11.206263      3.496026      2.384033
  C     -10.299637      2.671261      1.775790
  C     -10.618103      2.039129      0.550031
  C      -9.673412      1.234113     -0.046083
  C      -8.419447      1.061338      0.578504
  N      -8.085033      1.628617      1.730195
  C      -9.012180      2.420672      2.326599
  C      -2.103986     -0.395467      4.238462
  C      -1.930045     -0.293053      2.716012
  C      -2.466937     -1.564126      2.074545
  O      -2.304075     -1.592388      0.631439
  C      -3.137537     -0.881513     -0.120823
  N      -4.080085     -0.113121      0.408092
  C      -4.859740      0.596904     -0.454500
  N      -4.830386      0.591962     -1.767233
  C      -3.883941     -0.224858     -2.331850
  C      -3.771897     -0.322313     -3.738402
  C      -2.801978     -1.146359     -4.267836
  C      -1.952189     -1.864890     -3.393977
  N      -2.024953     -1.801702     -2.071489
  C      -2.978007     -0.993524     -1.549134
  C      -5.981684      0.122934      6.585584
  C      -5.560530     -1.325994      6.885046
  C      -6.511216     -2.349737      6.294717
  O      -6.280736     -2.439895      4.856963
  C      -7.266380     -2.140329      4.008670
  N      -8.411092     -1.633952      4.426898
  C      -9.370589     -1.404410      3.492125
  N      -9.313670     -1.645120      2.198237
  C      -8.124416     -2.154317      1.747288
  C      -7.946695     -2.439721      0.372211
  C      -6.730213     -2.928335     -0.054458
  C      -5.698640     -3.127218      0.891844
  N      -5.825726     -2.880464      2.189018
  C      -7.023096     -2.407412      2.612539
  H      -4.598574      5.423719      3.770419
  H      -5.262068      3.854087      3.276258
  H      -6.166313      5.444070      5.759510
  H      -6.978851      5.452191      4.197056
  H      -8.063084      3.903158      5.854038
  H      -6.556023      2.924775      5.901643
  H     -11.503269      4.730817      4.004899
  H     -11.602207      2.210437      0.111769
  H      -9.875685      0.728919     -0.990839
  H      -7.665230      0.424993      0.111067
  H      -1.288781     -0.996649      4.675545
  H      -3.034566     -0.949664      4.444394
  H      -0.875456     -0.138870      2.443722
  H      -2.501620      0.572994      2.355351
  H      -3.529029     -1.716799      2.318483
  H      -1.905492     -2.447142      2.407749
  H      -5.590419      1.256531      0.023006
  H      -4.453407      0.257279     -4.362790
  H      -2.678893     -1.251456     -5.346515
  H      -1.180037     -2.521058     -3.805904
  H      -6.391581      0.183503      5.569839
  H      -6.790690      0.418875      7.280722
  H      -4.552737     -1.502765      6.474591
  H      -5.499724     -1.498857      7.970669
  H      -7.563906     -2.102539      6.480572
  H      -6.294439     -3.356446      6.676468
  H     -10.300730     -0.973769      3.876251
  H      -8.778507     -2.262942     -0.311606
  H      -6.550922     -3.160144     -1.105228
  H      -4.725969     -3.505097      0.561756
  N      -4.844888      1.246416      3.832670
  N      -5.532842      0.748440      2.859562
  H      -6.432502      1.205403      2.566689
  H      -5.001477      0.216508      2.141329
99
Coordinates from ORCA-job orca E -6533.010332008456
  N      -4.062068      3.803370      4.990881
  Mo     -3.874228      1.841936      5.188753
  N      -4.877743      1.062170      6.686423
  C      -4.333048      1.212698      8.036954
  C      -3.518519      2.494659      8.127432
  N      -2.620122      2.602757      6.947582
  C      -2.263442      4.007172      6.626064
  C      -3.452007      4.693348      5.981538
  C      -1.410251      1.745679      7.062663
  C      -0.977471      1.338851      5.658474
  N      -2.165957      0.895756      4.933847
  H      -3.114961      5.624934      5.493072
  H      -4.189165      4.996557      6.748982
  H      -1.431564      3.972265      5.909335
  H      -1.919823      4.542583      7.527433
  H      -0.236456      0.525914      5.719141
  H      -0.480953      2.180359      5.142618
  H      -1.691213      0.844523      7.624113
  H      -0.615803      2.271061      7.619835
  H      -5.154577      1.258558      8.774599
  H      -3.714062      0.337478      8.312352
  H      -4.200085      3.355504      8.097881
  H      -2.939564      2.546116      9.064937
  C      -5.050567      4.488852      4.153209
  C      -6.364100      4.837814      4.871044
  C      -7.166838      3.625406      5.307859
  O      -7.553513      2.837294      4.143897
  C      -8.723414      3.117955      3.559094
  N      -9.574121      3.971674      4.092270
  C     -10.757272      4.154744      3.446573
  N     -11.165501      3.584058      2.331799
  C     -10.278270      2.718019      1.752840
  C     -10.602639      2.068108      0.537907
  C      -9.676915      1.220654     -0.028709
  C      -8.434644      1.026180      0.612609
  N      -8.095209      1.609445      1.754916
  C      -9.005544      2.440074      2.324397
  C      -2.106444     -0.389993      4.233473
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  O      -2.306345     -1.575510      0.623085
  C      -3.151612     -0.874131     -0.124868
  N      -4.102289     -0.118926      0.408311
  C      -4.894790      0.580672     -0.451225
  N      -4.869622      0.577758     -1.764096
  C      -3.912789     -0.223866     -2.332903
  C      -3.802649     -0.316591     -3.740022
  C      -2.822230     -1.125410     -4.273521
  C      -1.960277     -1.833747     -3.403090
  N      -2.030995     -1.774593     -2.080300
  C      -2.994328     -0.981276     -1.553915
  C      -5.981848      0.114550      6.588564
  C      -5.556035     -1.332769      6.889275
  C      -6.502174     -2.360158      6.298328
  O      -6.266891     -2.451287      4.861412
  C      -7.253614     -2.165063      4.009835
  N      -8.404268     -1.668772      4.423580
  C      -9.363567     -1.451537      3.485829
  N      -9.300791     -1.694756      2.192630
  C      -8.105848     -2.194361      1.746339
  C      -7.922242     -2.482430      0.372564
  C      -6.700746     -2.962337     -0.049519
  C      -5.670303     -3.150251      0.900120
  N      -5.802482     -2.899671      2.196025
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  H      -4.598537      5.423626      3.774694
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  H      -6.166330      5.452814      5.763484
  H      -6.978986      5.459370      4.201277
  H      -8.066813      3.917430      5.861125
  H      -6.562751      2.934312      5.910833
  H     -11.442100      4.863407      3.921526
  H     -11.576240      2.259110      0.084636
  H      -9.885082      0.699005     -0.963150
  H      -7.694387      0.358038      0.167529
  H      -1.289007     -0.990976      4.666576
  H      -3.035402     -0.947125      4.438891
  H      -0.882859     -0.118526      2.437775
  H      -2.514042      0.582227      2.354157
  H      -3.524870     -1.715266      2.313500
  H      -1.895536     -2.433579      2.395191
  H      -5.633634      1.229323      0.028952
  H      -4.493478      0.255112     -4.361483
  H      -2.700017     -1.226164     -5.352739
  H      -1.179246     -2.477411     -3.818188
  H      -6.391148      0.173128      5.572449
  H      -6.792152      0.408320      7.283130
  H      -4.546961     -1.506131      6.480541
  H      -5.496264     -1.505029      7.975107
  H      -7.556104     -2.115640      6.480529
  H      -6.283836     -3.365615      6.682756
  H     -10.298447     -1.028346      3.866315
  H      -8.753957     -2.314867     -0.313641
  H      -6.516976     -3.196212     -1.098998
  H      -4.694105     -3.522425      0.573942
  N      -4.852314      1.243814      3.838707
  N      -5.543790      0.741919      2.870105
  H      -6.448543      1.193008      2.582974
  H      -5.014748      0.210009      2.150550
99
Coordinates from ORCA-job orca E -6533.010366137920
  N      -4.060625      3.805346      4.996914
  Mo     -3.881567      1.843114      5.192793
  N      -4.886262      1.059990      6.688562
  C      -4.344434      1.209395      8.040400
  C      -3.527577      2.489708      8.133207
  N      -2.627841      2.597162      6.954594
  C      -2.265817      4.001270      6.637069
  C      -3.450325      4.692052      5.990474
  C      -1.420763      1.736157      7.068892
  C      -0.985870      1.334164      5.663982
  N      -2.173986      0.897074      4.935038
  H      -3.108704      5.623026      5.503943
  H      -4.188438      4.996970      6.756076
  H      -1.431752      3.965643      5.922980
  H      -1.923645      4.533777      7.540697
  H      -0.247788      0.518385      5.723540
  H      -0.485382      2.175511      5.151820
  H      -1.705367      0.833033      7.625307
  H      -0.626172      2.256797      7.630364
  H      -5.167822      1.257048      8.775983
  H      -3.728432      0.332630      8.317427
  H      -4.207561      3.351836      8.103718
  H      -2.949571      2.539260      9.071405
  C      -5.041356      4.496475      4.154549
  C      -6.353727      4.858626      4.867593
  C      -7.166675      3.654921      5.309276
  O      -7.556550      2.858892      4.151747
  C      -8.714419      3.157189      3.551338
  N      -9.545597      4.044640      4.060108
  C     -10.717512      4.247532      3.399970
  N     -11.132532      3.664810      2.294016
  C     -10.265865      2.761342      1.741728
  C     -10.600492      2.092859      0.539647
  C      -9.696187      1.204796      0.001044
  C      -8.464343      0.990686      0.655828
  N      -8.114475      1.592108      1.785714
  C      -9.005473      2.460804      2.329117
  C      -2.115413     -0.385341      4.228703
  C      -1.943203     -0.268763      2.707413
  C      -2.459402     -1.543878      2.058030
  O      -2.303463     -1.556616      0.614263
  C      -3.163548     -0.867701     -0.128302
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  C      -3.946747     -0.229329     -2.332270
  C      -3.841297     -0.318290     -3.740023
  C      -2.848368     -1.107960     -4.278909
  C      -1.969765     -1.801622     -3.413103
  N      -2.035734     -1.745528     -2.089966
  C      -3.011021     -0.970476     -1.558296
  C      -5.986192      0.107697      6.587765
  C      -5.554001     -1.337378      6.890179
  C      -6.492275     -2.370631      6.296872
  O      -6.248765     -2.462805      4.861288
  C      -7.234017     -2.190393      4.003491
  N      -8.392194     -1.705319      4.409308
  C      -9.347645     -1.499364      3.465262
  N      -9.274205     -1.743628      2.172817
  C      -8.072660     -2.234101      1.734905
  C      -7.878508     -2.523951      0.362899
  C      -6.651412     -2.997024     -0.050207
  C      -5.626273     -3.176918      0.906500
  N      -5.767597     -2.922580      2.200665
  C      -6.974999     -2.463786      2.611244
  H      -4.580876      5.426324      3.773852
  H      -5.261045      3.861942      3.285997
  H      -6.153716      5.477254      5.756930
  H      -6.962645      5.480816      4.193058
  H      -8.066163      3.958546      5.857333
  H      -6.570930      2.963591      5.920302
  H     -11.385973      4.984828      3.854157
  H     -11.564658      2.301456      0.074202
  H      -9.913602      0.665483     -0.921093
  H      -7.741800      0.289905      0.232088
  H      -1.299203     -0.989766      4.659372
  H      -3.045515     -0.941992      4.430049
  H      -0.891101     -0.095350      2.436817
  H      -2.528355      0.590592      2.351978
  H      -3.517555     -1.715588      2.305729
  H      -1.881324     -2.419361      2.382267
  H      -5.683422      1.188973      0.038863
  H      -4.544834      0.241965     -4.357498
  H      -2.729161     -1.205233     -5.358789
  H      -1.178515     -2.430116     -3.832345
  H      -6.393187      0.164029      5.570599
  H      -6.799427      0.397959      7.280432
  H      -4.542554     -1.505469      6.485086
  H      -5.496881     -1.509031      7.976343
  H      -7.548379     -2.131039      6.472821
  H      -6.271150     -3.374038      6.685469
  H     -10.289265     -1.085852      3.839156
  H      -8.707078     -2.363839     -0.328823
  H      -6.459590     -3.232488     -1.097868
  H      -4.646009     -3.544845      0.587729
  N      -4.861467      1.245497      3.843960
  N      -5.558612      0.738942      2.881418
  H      -6.467006      1.187415      2.600674
  H      -5.033392      0.207060      2.159686
99
Coordinates from ORCA-job orca E -6533.010381894344
  N      -4.063359      3.806943      5.005407
  Mo     -3.886262      1.844257      5.199153
  N      -4.890323      1.055656      6.692916
  C      -4.350171      1.203513      8.045554
  C      -3.534273      2.484251      8.141173
  N      -2.634009      2.594497      6.963243
  C      -2.271361      3.999367      6.649467
  C      -3.454595      4.691578      6.001890
  C      -1.427148      1.733053      7.075767
  C      -0.990340      1.336570      5.669875
  N      -2.177418      0.901866      4.937814
  H      -3.111955      5.623434      5.517749
  H      -4.194167      4.995032      6.766658
  H      -1.435699      3.965562      5.937190
  H      -1.931200      4.529760      7.555107
  H      -0.252374      0.520581      5.727544
  H      -0.489252      2.179687      5.161242
  H      -1.712668      0.827641      7.627857
  H      -0.633358      2.251279      7.640628
  H      -5.174401      1.249505      8.780261
  H      -3.734022      0.326769      8.322072
  H      -4.214860      3.345939      8.112909
  H      -2.956811      2.532566      9.079771
  C      -5.039037      4.501473      4.159961
  C      -6.350677      4.872455      4.869532
  C      -7.170551      3.673917      5.312000
  O      -7.562127      2.875147      4.157017
  C      -8.702996      3.196932      3.536046
  N      -9.513782      4.117520      4.018462
  C     -10.672108      4.341003      3.341019
  N     -11.092810      3.747078      2.243124
  C     -10.247138      2.807764      1.718903
  C     -10.590228      2.121501      0.529131
  C      -9.706395      1.196832      0.018603
  C      -8.485898      0.964715      0.688329
  N      -8.129153      1.581665      1.807596
  C      -9.000863      2.485511      2.324374
  C      -2.117190     -0.377662      4.226290
  C      -1.948330     -0.254743      2.705266
  C      -2.455578     -1.531999      2.053002
  O      -2.305083     -1.537852      0.608662
  C      -3.177569     -0.858650     -0.128598
  N      -4.144770     -0.133209      0.416143
  C      -4.969306      0.539623     -0.434947
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  C      -2.882375     -1.094363     -4.280878
  C      -1.989854     -1.776319     -3.420078
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  C      -5.985275      0.097732      6.588849
  C      -5.545943     -1.345732      6.889434
  C      -6.478211     -2.383293      6.293762
  O      -6.229697     -2.475875      4.858916
  C      -7.215855     -2.218222      3.997700
  N      -8.379456     -1.742273      4.398738
  C      -9.334049     -1.547839      3.451556
  N      -9.254971     -1.795543      2.160132
  C      -8.048712     -2.278670      1.727297
  C      -7.849151     -2.572334      0.356925
  C      -6.617708     -3.038203     -0.051299
  C      -5.593661     -3.206723      0.908614
  N      -5.739775     -2.947895      2.201388
  C      -6.951438     -2.496188      2.607265
  H      -4.572796      5.427972      3.778197
  H      -5.260385      3.866239      3.292354
  H      -6.149336      5.491970      5.757915
  H      -6.955048      5.496386      4.192654
  H      -8.069508      3.983933      5.857541
  H      -6.579814      2.980697      5.925856
  H     -11.323406      5.106740      3.772545
  H     -11.544041      2.346434      0.050121
  H      -9.930987      0.642812     -0.893008
  H      -7.778413      0.236846      0.285602
  H      -1.298634     -0.981942      4.652716
  H      -3.045558     -0.937329      4.427136
  H      -0.898074     -0.071748      2.433706
  H      -2.541116      0.600852      2.353335
  H      -3.511167     -1.713533      2.304265
  H      -1.868626     -2.403466      2.371993
  H      -5.725335      1.162796      0.052250
  H      -4.597372      0.232437     -4.349803
  H      -2.768071     -1.190258     -5.361393
  H      -1.193059     -2.394690     -3.843760
  H      -6.391176      0.153260      5.571174
  H      -6.801030      0.382435      7.280850
  H      -4.533138     -1.508179      6.485397
  H      -5.489133     -1.518638      7.975389
  H      -7.535875     -2.147963      6.466109
  H      -6.254581     -3.385397      6.684288
  H     -10.280123     -1.141196      3.821477
  H      -8.677220     -2.420808     -0.337407
  H      -6.421536     -3.276109     -1.097625
  H      -4.609870     -3.568373      0.593565
  N      -4.866265      1.245195      3.851216
  N      -5.566081      0.732946      2.893534
  H      -6.479274      1.175570      2.617710
  H      -5.041355      0.204177      2.168914
99
Coordinates from ORCA-job orca E -6533.010386768230
  N      -4.060779      3.814480      5.013097
  Mo     -3.889842      1.851123      5.202701
  N      -4.896865      1.058899      6.693280
  C      -4.360127      1.203270      8.047570
  C      -3.541573      2.482059      8.147938
  N      -2.639906      2.593813      6.971348
  C      -2.273198      3.999070      6.662815
  C      -3.453419      4.695382      6.013616
  C      -1.435211      1.729257      7.082935
  C      -0.995772      1.336596      5.676765
  N      -2.182259      0.907526      4.940320
  H      -3.107743      5.627850      5.532780
  H      -4.194807      4.998021      6.776961
  H      -1.435198      3.966001      5.953246
  H      -1.935094      4.525817      7.571361
  H      -0.261109      0.517648      5.734433
  H      -0.490441      2.179137      5.171515
  H      -1.723837      0.822178      7.630541
  H      -0.641669      2.243458      7.651879
  H      -5.186457      1.249909      8.779809
  H      -3.747076      0.324613      8.324501
  H      -4.220190      3.345347      8.122098
  H      -2.964793      2.526170      9.087152
  C      -5.029407      4.513396      4.163133
  C      -6.340112      4.892195      4.870419
  C      -7.165960      3.698411      5.314902
  O      -7.557024      2.894648      4.163391
  C      -8.697075      3.214900      3.539228
  N      -9.506313      4.140264      4.014968
  C     -10.662938      4.362522      3.334189
  N     -11.083646      3.762719      2.239536
  C     -10.240353      2.817131      1.723308
  C     -10.584480      2.122851      0.538365
  C      -9.703223      1.191082      0.036448
  C      -8.484955      0.959263      0.710339
  N      -8.127180      1.584122      1.824760
  C      -8.996088      2.495548      2.332760
  C      -2.123828     -0.370007      4.224904
  C      -1.953038     -0.244999      2.704419
  C      -2.458572     -1.522700      2.051318
  O      -2.309179     -1.528021      0.606958
  C      -3.184781     -0.851781     -0.129524
  N      -4.149227     -0.123332      0.416260
  C      -4.976868      0.546322     -0.434399
  N      -4.971704      0.538838     -1.747412
  C      -3.997920     -0.233321     -2.328237
  C      -3.906291     -0.328435     -3.736352
  C      -2.909661     -1.109002     -4.281629
  C      -2.013922     -1.787703     -3.421664
  N      -2.066305     -1.725085     -2.098241
  C      -3.044900     -0.958444     -1.560421
  C      -5.987787      0.096524      6.583786
  C      -5.543260     -1.346254      6.880058
  C      -6.470825     -2.386618      6.281392
  O      -6.219744     -2.478925      4.846801
  C      -7.205932     -2.230897      3.982710
  N      -8.372874     -1.758830      4.379177
  C      -9.325451     -1.570742      3.428593
  N      -9.241292     -1.821410      2.137977
  C      -8.032586     -2.303103      1.710089
  C      -7.828419     -2.601520      0.341300
  C      -6.594868     -3.066526     -0.061395
  C      -5.573230     -3.229060      0.902043
  N      -5.723306     -2.965195      2.193409
  C      -6.937141     -2.514268      2.594022
  H      -4.557222      5.436718      3.781139
  H      -5.251944      3.878488      3.295682
  H      -6.136854      5.512639      5.757716
  H      -6.941129      5.517360      4.191782
  H      -8.065694      4.014089      5.856039
  H      -6.579784      3.006186      5.934467
  H     -11.312718      5.132915      3.759699
  H     -11.536430      2.348157      0.055834
  H      -9.927933      0.630806     -0.871269
  H      -7.780338      0.225347      0.313930
  H      -1.307214     -0.977571      4.650530
  H      -3.053892     -0.927571      4.423301
  H      -0.902733     -0.059800      2.434416
  H      -2.546844      0.609739      2.352111
  H      -3.513906     -1.704549      2.303421
  H      -1.870739     -2.393648      2.369949
  H      -5.730167      1.172662      0.052648
  H      -4.623583      0.219257     -4.349079
  H      -2.800870     -1.211002     -5.362128
  H      -1.220479     -2.409921     -3.845862
  H      -6.392502      0.153799      5.565702
  H      -6.805772      0.375233      7.275589
  H      -4.529551     -1.503867      6.476307
  H      -5.486431     -1.521800      7.965540
  H      -7.529666     -2.155068      6.451696
  H      -6.244785     -3.387904      6.672569
  H     -10.274296     -1.166113      3.794191
  H      -8.654655     -2.454783     -0.356312
  H      -6.395126     -3.308028     -1.106306
  H      -4.587743     -3.589696      0.591260
  N      -4.867324      1.254284      3.852830
  N      -5.567978      0.739301      2.896902
  H      -6.480939      1.183322      2.621476
  H      -5.041918      0.215194      2.169693
99
Coordinates from ORCA-job orca E -6533.010390910424
  N      -4.061683      3.812751      5.012317
  Mo     -3.889252      1.849523      5.203282
  N      -4.896017      1.058941      6.694756
  C      -4.358675      1.204104      8.048659
  C      -3.540158      2.483009      8.147725
  N      -2.638750      2.593901      6.970797
  C      -2.272753      3.998908      6.660635
  C      -3.453547      4.694495      6.011639
  C      -1.433757      1.729811      7.082838
  C      -0.995042      1.335506      5.676895
  N      -2.181699      0.905505      4.941256
  H      -3.108298      5.626656      5.529866
  H      -4.194378      4.997611      6.775394
  H      -1.435174      3.965295      5.950585
  H      -1.934143      4.526571      7.568454
  H      -0.260051      0.516881      5.734958
  H      -0.490205      2.177862      5.170813
  H      -1.721754      0.823529      7.632132
  H      -0.639970      2.245151      7.650366
  H      -5.184602      1.250981      8.781329
  H      -3.745119      0.325774      8.325657
  H      -4.218640      3.346390      8.121267
  H      -2.963145      2.527792      9.086757
  C      -5.031266      4.510676      4.162825
  C      -6.342155      4.888546      4.870188
  C      -7.166945      3.693817      5.314143
  O      -7.558619      2.891788      4.161713
  C      -8.697910      3.214651      3.537943
  N      -9.504926      4.141768      4.013975
  C     -10.661722      4.366119      3.334147
  N     -11.084530      3.766781      2.239974
  C     -10.243173      2.819834      1.722841
  C     -10.589288      2.126160      0.538129
  C      -9.709697      1.193584      0.034878
  C      -8.490710      0.960455      0.707118
  N      -8.131553      1.584499      1.821494
  C      -8.998787      2.496490      2.331124
  C      -2.122628     -0.372023      4.225947
  C      -1.952418     -0.246782      2.705398
  C      -2.458913     -1.524089      2.052199
  O      -2.309678     -1.529381      0.607826
  C      -3.185244     -0.853163     -0.128670
  N      -4.149881     -0.124878      0.417096
  C      -4.977017      0.545568     -0.433354
  N      -4.971169      0.538937     -1.746407
  C      -3.997652     -0.233455     -2.327262
  C      -3.905571     -0.327724     -3.735458
  C      -2.909104     -1.108386     -4.280891
  C      -2.013872     -1.787876     -3.421042
  N      -2.066683     -1.726095     -2.097572
  C      -3.045210     -0.959489     -1.559572
  C      -5.987680      0.097422      6.585913
  C      -5.544400     -1.345813      6.882127
  C      -6.472071     -2.384711      6.281387
  O      -6.218458     -2.476012      4.847283
  C      -7.204281     -2.229241      3.982568
  N      -8.372126     -1.759326      4.378773
  C      -9.324974     -1.573391      3.428107
  N      -9.240382     -1.824181      2.137550
  C      -8.030438     -2.303070      1.709873
  C      -7.825341     -2.600588      0.341076
  C      -6.590688     -3.062948     -0.061471
  C      -5.568900     -3.223630      0.902185
  N      -5.719882     -2.960467      2.193619
  C      -6.934680     -2.512043      2.593974
  H      -4.559904      5.434301      3.780554
  H      -5.253844      3.875342      3.295673
  H      -6.139112      5.508538      5.757844
  H      -6.943676      5.513698      4.192006
  H      -8.066258      4.008297      5.856677
  H      -6.579555      3.000979      5.931833
  H     -11.309541      5.138043      3.759884
  H     -11.541849      2.352271      0.057152
  H      -9.936047      0.633871     -0.872794
  H      -7.786776      0.226348      0.309877
  H      -1.305282     -0.978720      4.651384
  H      -3.051989     -0.930632      4.424720
  H      -0.902215     -0.062351      2.434674
  H      -2.545936      0.608411      2.353708
  H      -3.514203     -1.706065      2.304410
  H      -1.871074     -2.395280      2.370326
  H      -5.730450      1.171716      0.053804
  H      -4.622506      0.220591     -4.348118
  H      -2.799835     -1.209541     -5.361427
  H      -1.220489     -2.410073     -3.845377
  H      -6.392576      0.154899      5.567892
  H      -6.805266      0.376877      7.277854
  H      -4.530251     -1.503978      6.479685
  H      -5.489284     -1.522127      7.967545
  H      -7.530925     -2.151934      6.450083
  H      -6.247852     -3.386682      6.671864
  H     -10.274795     -1.171219      3.793667
  H      -8.651875     -2.455612     -0.356501
  H      -6.390185     -3.304107     -1.106288
  H      -4.582685     -3.582446      0.591566
  N      -4.866931      1.252518      3.853741
  N      -5.566598      0.738417      2.896702
  H      -6.480814      1.180915      2.622566
  H      -5.040177      0.215808      2.168554
99
Coordinates from ORCA-job orca E -6533.010391568348
  N      -4.062616      3.812446      5.013048
  Mo     -3.888695      1.849300      5.203579
  N      -4.894962      1.058890      6.695436
  C      -4.357347      1.203985      8.049202
  C      -3.539024      2.483008      8.148195
  N      -2.638060      2.594243      6.970946
  C      -2.273075      3.999444      6.660516
  C      -3.454687      4.694353      6.012302
  C      -1.432566      1.730803      7.082744
  C      -0.994301      1.336175      5.676725
  N      -2.181021      0.905412      4.941596
  H      -3.110368      5.626926      5.530717
  H      -4.195356      4.996571      6.776561
  H      -1.435954      3.966254      5.949906
  H      -1.934211      4.527297      7.568129
  H      -0.258817      0.517977      5.734645
  H      -0.490189      2.178778      5.170318
  H      -1.719748      0.824672      7.632765
  H      -0.638739      2.246915      7.649514
  H      -5.183142      1.250603      8.782083
  H      -3.743408      0.325779      8.325941
  H      -4.217493      3.346419      8.122226
  H      -2.961613      2.527534      9.087001
  C      -5.032662      4.509809      4.163700
  C      -6.343883      4.886470      4.871120
  C      -7.167659      3.690776      5.314520
  O      -7.558671      2.889435      4.161396
  C      -8.698025      3.211808      3.537687
  N      -9.506629      4.136928      4.014845
  C     -10.663763      4.360229      3.335262
  N     -11.085460      3.761705      2.240229
  C     -10.242404      2.816963      1.721781
  C     -10.587218      2.124313      0.536088
  C      -9.706173      1.193750      0.031745
  C      -8.486765      0.961768      0.703746
  N      -8.128846      1.585049      1.818911
  C      -8.997587      2.494869      2.329803
  C      -2.121449     -0.372057      4.226252
  C      -1.951618     -0.246716      2.705627
  C      -2.459540     -1.523540      2.052563
  O      -2.310264     -1.529530      0.608188
  C      -3.185228     -0.852943     -0.128624
  N      -4.148926     -0.123228      0.416854
  C      -4.975026      0.548315     -0.433673
  N      -4.969322      0.541103     -1.746756
  C      -3.997263     -0.233294     -2.327359
  C      -3.905644     -0.328513     -3.735558
  C      -2.910657     -1.111217     -4.280779
  C      -2.016388     -1.791766     -3.420756
  N      -2.068817     -1.729171     -2.097293
  C      -3.045895     -0.960568     -1.559483
  C      -5.987034      0.097866      6.586742
  C      -5.544446     -1.345698      6.882331
  C      -6.472862     -2.383650      6.281292
  O      -6.219392     -2.474489      4.847163
  C      -7.205244     -2.226919      3.982688
  N      -8.372519     -1.755765      4.379154
  C      -9.325388     -1.568864      3.428709
  N      -9.241284     -1.819467      2.138074
  C      -8.031748     -2.299202      1.710062
  C      -7.827000     -2.596338      0.341134
  C      -6.592842     -3.059847     -0.061639
  C      -5.571215     -3.222159      0.901902
  N      -5.721847     -2.959186      2.193437
  C      -6.936127     -2.509585      2.593985
  H      -4.561951      5.433890      3.781655
  H      -5.254804      3.874501      3.296396
  H      -6.141262      5.506166      5.759086
  H      -6.945932      5.511458      4.193235
  H      -8.067176      4.004087      5.857322
  H      -6.579428      2.998174      5.931623
  H     -11.312877      5.130520      3.761961
  H     -11.540260      2.349354      0.055564
  H      -9.931519      0.634725     -0.876621
  H      -7.781555      0.229203      0.305769
  H      -1.303652     -0.978189      4.651613
  H      -3.050384     -0.931324      4.425207
  H      -0.901383     -0.063337      2.434379
  H      -2.544429      0.609122      2.354318
  H      -3.515020     -1.704657      2.304696
  H      -1.872568     -2.395266      2.370897
  H      -5.727519      1.175672      0.053445
  H      -4.621797      0.220725     -4.348384
  H      -2.801795     -1.213146     -5.361297
  H      -1.224184     -2.415571     -3.844936
  H      -6.392334      0.155909      5.568932
  H      -6.804201      0.377446      7.279127
  H      -4.530448     -1.504334      6.479713
  H      -5.489343     -1.522557      7.967665
  H      -7.531488     -2.150041      6.450145
  H      -6.249408     -3.385990      6.671264
  H     -10.274793     -1.165879      3.794486
  H      -8.653328     -2.450170     -0.356415
  H      -6.392622     -3.300834     -1.106536
  H      -4.585457     -3.582080      0.591162
  N      -4.866217      1.252194      3.854170
  N      -5.565274      0.738340      2.896527
  H      -6.479144      1.181220      2.621980
  H      -5.038512      0.215797      2.168505
99
Coordinates from ORCA-job orca E -6533.010392263507
  N      -4.063263      3.812985      5.014505
  Mo     -3.889109      1.849797      5.204217
  N      -4.895435      1.059201      6.695961
  C      -4.358109      1.203772      8.049837
  C      -3.539518      2.482582      8.149401
  N      -2.638607      2.594178      6.972130
  C      -2.273786      3.999512      6.662050
  C      -3.455575      4.694476      6.014233
  C      -1.433093      1.730761      7.083720
  C      -0.994857      1.336384      5.677625
  N      -2.181513      0.905722      4.942302
  H      -3.111554      5.627465      5.533269
  H      -4.196302      4.995873      6.778751
  H      -1.436763      3.966608      5.951312
  H      -1.934906      4.527105      7.569810
  H      -0.259303      0.518237      5.735313
  H      -0.490878      2.179252      5.171512
  H      -1.720172      0.824623      7.633800
  H      -0.639206      2.246915      7.650374
  H      -5.184085      1.250284      8.782538
  H      -3.744275      0.325419      8.326442
  H      -4.217600      3.346307      8.124051
  H      -2.961955      2.526309      9.088156
  C      -5.032641      4.510693      4.164771
  C      -6.343709      4.888302      4.871960
  C      -7.167919      3.693013      5.315805
  O      -7.558779      2.891283      4.162937
  C      -8.697725      3.213691      3.538626
  N      -9.506051      4.139664      4.014605
  C     -10.662612      4.363217      3.334128
  N     -11.084036      3.764125      2.239309
  C     -10.241266      2.818444      1.722076
  C     -10.585857      2.124963      0.536790
  C      -9.705303      1.193226      0.033856
  C      -8.486368      0.960996      0.706773
  N      -8.128678      1.585220      1.821440
  C      -8.997035      2.496089      2.331096
  C      -2.121490     -0.371309      4.226273
  C      -1.951695     -0.245178      2.705694
  C      -2.459469     -1.521897      2.052360
  O      -2.310237     -1.527832      0.607985
  C      -3.185988     -0.852323     -0.128830
  N      -4.149099     -0.121875      0.416687
  C      -4.975764      0.549070     -0.433712
  N      -4.971128      0.540610     -1.746817
  C      -3.999950     -0.234838     -2.327454
  C      -3.909743     -0.331713     -3.735654
  C      -2.915750     -1.115622     -4.280949
  C      -2.021076     -1.795775     -3.421024
  N      -2.072143     -1.731594     -2.097580
  C      -3.048195     -0.961736     -1.559684
  C      -5.987197      0.097906      6.586567
  C      -5.544294     -1.345751      6.881257
  C      -6.472263     -2.383382      6.279066
  O      -6.217758     -2.473401      4.845053
  C      -7.203536     -2.227307      3.980047
  N      -8.371389     -1.756966      4.375826
  C      -9.323959     -1.571160      3.424899
  N      -9.238979     -1.821753      2.134310
  C      -8.028880     -2.300726      1.706996
  C      -7.823160     -2.597781      0.338207
  C      -6.588618     -3.060994     -0.063735
  C      -5.567606     -3.223142      0.900459
  N      -5.719056     -2.959857      2.191860
  C      -6.933662     -2.510433      2.591575
  H      -4.561264      5.434376      3.782554
  H      -5.255069      3.875295      3.297612
  H      -6.140765      5.508145      5.759752
  H      -6.945547      5.513295      4.193912
  H      -8.067506      4.006778      5.858208
  H      -6.579865      3.000732      5.933428
  H     -11.311554      5.134148      3.759925
  H     -11.538516      2.350292      0.055639
  H      -9.930473      0.633367     -0.874044
  H      -7.781438      0.227488      0.310013
  H      -1.303395     -0.977237      4.651360
  H      -3.050108     -0.931199      4.424955
  H      -0.901532     -0.061602      2.434347
  H      -2.544637      0.610743      2.354760
  H      -3.514893     -1.703377      2.304436
  H      -1.872343     -2.393569      2.370616
  H      -5.727619      1.177135      0.053482
  H      -4.626190      0.217256     -4.348401
  H      -2.807999     -1.218852     -5.361461
  H      -1.229701     -2.420589     -3.845272
  H      -6.392439      0.156452      5.568772
  H      -6.804508      0.376741      7.279087
  H      -4.530083     -1.503895      6.478986
  H      -5.489648     -1.523506      7.966473
  H      -7.530970     -2.149728      6.447285
  H      -6.249181     -3.385957      6.668677
  H     -10.273900     -1.168898      3.790073
  H      -8.648990     -2.451836     -0.359968
  H      -6.387638     -3.302003     -1.108478
  H      -4.581643     -3.583108      0.590446
  N      -4.866383      1.252841      3.854857
  N      -5.565139      0.738621      2.897075
  H      -6.479240      1.181175      2.622924
  H      -5.038084      0.216896      2.168621
99
Coordinates from ORCA-job orca E -6533.010392694059
  N      -4.063095      3.813490      5.015503
  Mo     -3.888986      1.850287      5.204736
  N      -4.895621      1.059530      6.696200
  C      -4.358475      1.203539      8.050178
  C      -3.539717      2.482203      8.150340
  N      -2.638722      2.594188      6.973157
  C      -2.273987      3.999644      6.663474
  C      -3.455821      4.694654      6.015768
  C      -1.433215      1.730744      7.084610
  C      -0.994884      1.336658      5.678472
  N      -2.181456      0.906016      4.942983
  H      -3.111981      5.627992      5.535354
  H      -4.196755      4.995409      6.780335
  H      -1.436944      3.967011      5.952744
  H      -1.935203      4.527044      7.571386
  H      -0.259212      0.518614      5.735988
  H      -0.491015      2.179750      5.172613
  H      -1.720368      0.824539      7.634527
  H      -0.639323      2.246763      7.651379
  H      -5.184546      1.249866      8.782775
  H      -3.744757      0.325041      8.326562
  H      -4.217613      3.346075      8.125422
  H      -2.962164      2.525369      9.089127
  C      -5.031916      4.511443      4.165316
  C      -6.343145      4.889372      4.872040
  C      -7.167681      3.694202      5.315724
  O      -7.558190      2.892236      4.162883
  C      -8.697122      3.214389      3.538417
  N      -9.505464      4.140517      4.014104
  C     -10.661919      4.364011      3.333444
  N     -11.083269      3.764723      2.238715
  C     -10.240612      2.818728      1.721905
  C     -10.585226      2.124921      0.536809
  C      -9.704855      1.192829      0.034261
  C      -8.486033      0.960559      0.707398
  N      -8.128296      1.585097      1.821868
  C      -8.996487      2.496357      2.331143
  C      -2.121193     -0.370758      4.226535
  C      -1.951710     -0.244202      2.705936
  C      -2.459592     -1.520799      2.052486
  O      -2.310542     -1.526692      0.608075
  C      -3.186710     -0.851641     -0.128642
  N      -4.149447     -0.120788      0.416981
  C      -4.976532      0.549782     -0.433300
  N      -4.972674      0.540560     -1.746402
  C      -4.002004     -0.235436     -2.327139
  C      -3.912724     -0.333267     -3.735330
  C      -2.919283     -1.117786     -4.280749
  C      -2.024253     -1.797637     -3.420957
  N      -2.074418     -1.732524     -2.097530
  C      -3.049885     -0.962013     -1.559511
  C      -5.987214      0.098096      6.586239
  C      -5.544160     -1.345611      6.880452
  C      -6.472000     -2.383105      6.277783
  O      -6.217109     -2.472752      4.843787
  C      -7.202904     -2.227568      3.978525
  N      -8.371123     -1.757813      4.373926
  C      -9.323554     -1.572709      3.422726
  N      -9.238110     -1.823508      2.132202
  C      -8.027708     -2.302058      1.705295
  C      -7.821509     -2.599335      0.336628
  C      -6.586691     -3.062192     -0.064878
  C      -5.565885     -3.223785      0.899620
  N      -5.717755     -2.960166      2.190906
  C      -6.932616     -2.511048      2.590199
  H      -4.560120      5.434978      3.783250
  H      -5.254149      3.876086      3.298083
  H      -6.140357      5.509215      5.759869
  H      -6.944671      5.514429      4.193787
  H      -8.067479      4.008118      5.857699
  H      -6.579893      3.002059      5.933755
  H     -11.310852      5.135095      3.758983
  H     -11.537741      2.350425      0.055450
  H      -9.930013      0.632696     -0.873466
  H      -7.781180      0.226823      0.310971
  H      -1.302864     -0.976605      4.651283
  H      -3.049619     -0.930965      4.425238
  H      -0.901593     -0.060566      2.434440
  H      -2.544707      0.611799      2.355307
  H      -3.514993     -1.702309      2.304625
  H      -1.872499     -2.392530      2.370650
  H      -5.727974      1.178226      0.054022
  H      -4.629411      0.215481     -4.347967
  H      -2.812282     -1.221790     -5.361258
  H      -1.233367     -2.422998     -3.845314
  H      -6.392316      0.156915      5.568400
  H      -6.804692      0.376499      7.278746
  H      -4.529882     -1.503525      6.478260
  H      -5.489615     -1.523798      7.965607
  H      -7.530741     -2.149419      6.445774
  H      -6.249088     -3.385777      6.667252
  H     -10.273864     -1.171021      3.787591
  H      -8.647139     -2.453797     -0.361878
  H      -6.385343     -3.303326     -1.109527
  H      -4.579743     -3.583585      0.589974
  N      -4.866073      1.253586      3.855271
  N      -5.564608      0.739134      2.897420
  H      -6.478711      1.181682      2.623258
  H      -5.037233      0.218064      2.168736
