99
Coordinates from ORCA-job orca E -6478.830406819761
  N      -4.638728      3.599312      5.119316
  Mo     -3.956368      1.810935      4.680588
  N      -4.489662      0.931504      6.344889
  C      -3.605303      1.069143      7.487190
  C      -3.012992      2.484055      7.483944
  N      -2.475424      2.797070      6.148700
  C      -2.473082      4.246038      5.908935
  C      -3.915206      4.721017      5.657494
  C      -1.126465      2.236958      5.969538
  C      -1.085589      1.587778      4.573774
  N      -2.290432      0.795913      4.463017
  H      -3.910940      5.563334      4.947102
  H      -4.379133      5.081912      6.588582
  H      -1.879690      4.434100      5.009715
  H      -2.021671      4.783462      6.752270
  H      -0.174969      0.992414      4.457307
  H      -1.089594      2.368849      3.803603
  H      -0.955953      1.457155      6.715819
  H      -0.353354      3.002401      6.080389
  H      -4.142281      0.916261      8.431608
  H      -2.802646      0.317944      7.437638
  H      -3.823786      3.183326      7.700849
  H      -2.238340      2.589825      8.251754
  C      -5.729830      3.856586      4.244856
  C      -7.032482      4.272914      4.950313
  C      -7.604621      3.062088      5.692735
  O      -7.660695      1.955017      4.790409
  C      -8.730322      1.957469      3.944903
  N      -9.907345      2.273386      4.471678
  C     -10.944164      2.331325      3.652544
  N     -10.934481      2.168540      2.359383
  C      -9.740129      1.901460      1.787959
  C      -9.652144      1.807458      0.395308
  C      -8.403827      1.575502     -0.158853
  C      -7.299918      1.484801      0.672966
  N      -7.335207      1.592579      2.002165
  C      -8.558233      1.772770      2.559407
  C      -2.054322     -0.615237      4.663857
  C      -1.470180     -1.294011      3.394395
  C      -2.454967     -2.229664      2.677048
  O      -2.350508     -2.159232      1.252208
  C      -2.882678     -1.109158      0.648884
  N      -3.378880     -0.112517      1.346043
  C      -4.002499      0.872026      0.683960
  N      -4.163505      0.975400     -0.598441
  C      -3.610572     -0.003662     -1.367068
  C      -3.706351      0.031648     -2.772205
  C      -3.133450     -0.986335     -3.491225
  C      -2.477445     -2.023321     -2.804456
  N      -2.376001     -2.083149     -1.500971
  C      -2.926368     -1.095194     -0.783660
  C      -5.731400      0.276412      6.655216
  C      -5.664114     -1.270275      6.755426
  C      -6.832241     -1.916173      6.010252
  O      -6.609857     -1.787843      4.598719
  C      -7.569685     -1.270128      3.791615
  N      -8.710683     -0.843874      4.292466
  C      -9.667242     -0.547039      3.421556
  N      -9.671345     -0.769739      2.136726
  C      -8.486779     -1.136563      1.593890
  C      -8.374867     -1.373168      0.216522
  C      -7.155974     -1.821508     -0.273745
  C      -6.091165     -1.958127      0.598738
  N      -6.147529     -1.703858      1.904399
  C      -7.342187     -1.330689      2.393817
  H      -5.470165      4.621167      3.479906
  H      -5.904782      2.887218      3.748612
  H      -6.859558      5.088178      5.653289
  H      -7.754289      4.608279      4.199511
  H      -8.600308      3.263796      6.095829
  H      -6.926721      2.755329      6.492614
  H     -11.895600      2.568424      4.111638
  H     -10.542501      1.899169     -0.204987
  H      -8.270753      1.484256     -1.225362
  H      -6.319711      1.319980      0.252976
  H      -1.351068     -0.774876      5.494274
  H      -3.006427     -1.092097      4.923871
  H      -0.570143     -1.853502      3.643809
  H      -1.189837     -0.503215      2.695072
  H      -3.492417     -2.001647      2.953227
  H      -2.243621     -3.276845      2.900795
  H      -4.407299      1.656272      1.295793
  H      -4.218377      0.858976     -3.239208
  H      -3.176732     -0.998046     -4.568419
  H      -2.013666     -2.838443     -3.342159
  H      -6.440189      0.520001      5.861403
  H      -6.145452      0.660837      7.601218
  H      -4.734900     -1.625813      6.303016
  H      -5.688461     -1.601436      7.792073
  H      -7.785740     -1.448350      6.267561
  H      -6.883364     -2.989426      6.222958
  H     -10.592875     -0.198171      3.851901
  H      -9.235963     -1.246297     -0.420243
  H      -7.031491     -2.054486     -1.319444
  H      -5.129173     -2.306833      0.242688
  N      -5.288559      1.059993      3.197937
  H      -4.888117      0.292218      2.660790
  H      -5.559705      1.767795      2.516867
  H      -6.157366      0.703113      3.593123
99
Coordinates from ORCA-job orca E -6478.859864850425
  N      -4.581957      3.605735      5.153295
  Mo     -3.902933      1.804078      4.718540
  N      -4.472182      0.926273      6.371614
  C      -3.604085      1.061813      7.535210
  C      -3.005792      2.477200      7.543632
  N      -2.443084      2.792859      6.212021
  C      -2.427004      4.244969      5.973490
  C      -3.857923      4.724884      5.702162
  C      -1.088659      2.227352      6.042387
  C      -1.035505      1.586194      4.637470
  N      -2.242341      0.786944      4.508945
  H      -3.842172      5.569121      4.992650
  H      -4.331202      5.087405      6.630205
  H      -1.818017      4.429543      5.082044
  H      -1.982825      4.780188      6.825096
  H      -0.121813      0.990469      4.522921
  H      -1.031635      2.375711      3.873557
  H      -0.924930      1.442739      6.787768
  H      -0.314967      2.993875      6.165343
  H      -4.158818      0.911639      8.471871
  H      -2.802166      0.305822      7.500833
  H      -3.818277      3.181044      7.747058
  H      -2.242834      2.579533      8.327174
  C      -5.672502      3.888012      4.267702
  C      -6.978994      4.324300      4.979181
  C      -7.588640      3.136034      5.722830
  O      -7.736382      2.043778      4.812144
  C      -8.888364      2.100409      4.065022
  N     -10.000319      2.392265      4.737087
  C     -11.134288      2.470470      4.047632
  N     -11.285144      2.347163      2.750976
  C     -10.161465      2.105871      2.032680
  C     -10.235643      2.033461      0.633475
  C      -9.059865      1.812456     -0.072310
  C      -7.859317      1.720783      0.622477
  N      -7.749152      1.806873      1.947612
  C      -8.890438      1.966331      2.658086
  C      -1.981649     -0.623490      4.698031
  C      -1.383285     -1.247107      3.407053
  C      -2.300271     -2.226673      2.646964
  O      -2.188521     -2.126988      1.215936
  C      -2.838689     -1.166307      0.562324
  N      -3.558993     -0.253696      1.188891
  C      -4.295107      0.593532      0.437643
  N      -4.365532      0.638970     -0.863437
  C      -3.585967     -0.245572     -1.548197
  C      -3.572371     -0.260214     -2.959093
  C      -2.776146     -1.181716     -3.599350
  C      -2.008956     -2.076510     -2.829038
  N      -2.003304     -2.089519     -1.512752
  C      -2.772902     -1.190518     -0.872505
  C      -5.739795      0.278835      6.638664
  C      -5.737181     -1.273738      6.746429
  C      -6.906490     -1.890282      5.966776
  O      -6.639762     -1.810223      4.554041
  C      -7.532700     -1.272758      3.680207
  N      -8.672598     -0.746244      4.093508
  C      -9.562034     -0.413207      3.148243
  N      -9.501048     -0.679413      1.863272
  C      -8.309010     -1.152046      1.410176
  C      -8.119068     -1.430704      0.043960
  C      -6.907708     -1.983352     -0.353432
  C      -5.912745     -2.177386      0.594038
  N      -6.033252     -1.879553      1.890346
  C      -7.229692     -1.404567      2.294424
  H      -5.398407      4.653725      3.509910
  H      -5.865845      2.933114      3.761063
  H      -6.762378      5.130778      5.684861
  H      -7.706405      4.687880      4.244139
  H      -8.567258      3.358541      6.158895
  H      -6.892500      2.808059      6.500306
  H     -12.026943      2.686834      4.628977
  H     -11.195567      2.125639      0.144225
  H      -9.059631      1.727665     -1.149403
  H      -6.920351      1.568211      0.095408
  H      -1.271919     -0.771104      5.527346
  H      -2.915800     -1.138756      4.955272
  H      -0.456260     -1.773892      3.641949
  H      -1.140470     -0.419010      2.735112
  H      -3.360276     -2.101717      2.907026
  H      -1.994410     -3.254392      2.858733
  H      -4.908581      1.300868      0.986781
  H      -4.182135      0.456816     -3.494371
  H      -2.731050     -1.224555     -4.679687
  H      -1.370424     -2.812971     -3.306247
  H      -6.414864      0.541060      5.820163
  H      -6.175498      0.674870      7.571990
  H      -4.805541     -1.672675      6.331360
  H      -5.812151     -1.591135      7.788645
  H      -7.849036     -1.379631      6.188084
  H      -7.007368     -2.958554      6.195056
  H     -10.483876      0.038280      3.506151
  H      -8.921756     -1.247448     -0.657860
  H      -6.731410     -2.251453     -1.387213
  H      -4.958327     -2.607731      0.306591
  N      -5.213803      1.029275      3.236057
  H      -4.797853      0.250961      2.716677
  H      -5.484388      1.718014      2.531266
  H      -6.084234      0.674421      3.626426
99
Coordinates from ORCA-job orca E -6478.881316459145
  N      -4.577212      3.585493      5.107980
  Mo     -3.898298      1.768459      4.704877
  N      -4.469067      0.899651      6.368154
  C      -3.598647      1.063600      7.532039
  C      -3.019066      2.483616      7.535373
  N      -2.452815      2.787528      6.199566
  C      -2.434035      4.238812      5.937813
  C      -3.856489      4.713243      5.646971
  C      -1.091859      2.219397      6.039495
  C      -1.028679      1.565066      4.639679
  N      -2.236673      0.757146      4.511316
  H      -3.834903      5.547767      4.924302
  H      -4.337430      5.091868      6.567617
  H      -1.816707      4.407480      5.046462
  H      -1.992206      4.787549      6.785824
  H      -0.110335      0.968917      4.534887
  H      -1.020142      2.349575      3.867902
  H      -0.930768      1.442730      6.797005
  H      -0.318646      2.991204      6.159237
  H      -4.154854      0.913464      8.470560
  H      -2.783007      0.318182      7.507662
  H      -3.837608      3.185655      7.730990
  H      -2.257407      2.599094      8.322838
  C      -5.669241      3.876107      4.208563
  C      -6.979461      4.332060      4.899926
  C      -7.595199      3.143365      5.620742
  O      -7.715892      2.092177      4.653253
  C      -8.864297      2.114443      3.890144
  N     -10.014196      2.254084      4.551673
  C     -11.143173      2.240433      3.834163
  N     -11.262434      2.158417      2.521623
  C     -10.100525      2.071555      1.818277
  C     -10.133253      2.017016      0.412657
  C      -8.925548      1.926550     -0.273114
  C      -7.732230      1.956150      0.446053
  N      -7.660665      2.027956      1.778731
  C      -8.828374      2.048618      2.472675
  C      -2.001068     -0.659227      4.714378
  C      -1.406913     -1.288463      3.423891
  C      -2.345929     -2.237157      2.651914
  O      -2.208964     -2.128381      1.217097
  C      -2.818533     -1.147632      0.545874
  N      -3.534658     -0.211676      1.149028
  C      -4.223483      0.656150      0.367026
  N      -4.251553      0.702754     -0.942737
  C      -3.471693     -0.210243     -1.595315
  C      -3.411409     -0.231172     -3.007085
  C      -2.618813     -1.179065     -3.622029
  C      -1.900187     -2.094993     -2.825870
  N      -1.936617     -2.106108     -1.502323
  C      -2.705917     -1.179056     -0.888645
  C      -5.718995      0.225128      6.682210
  C      -5.630609     -1.327986      6.814451
  C      -6.789728     -2.022591      6.098497
  O      -6.582701     -1.910106      4.681699
  C      -7.579562     -1.407286      3.917090
  N      -8.713998     -1.011035      4.472384
  C      -9.711385     -0.661215      3.639229
  N      -9.729334     -0.782658      2.324713
  C      -8.545706     -1.113239      1.731795
  C      -8.440881     -1.198042      0.327823
  C      -7.225957     -1.600859     -0.221713
  C      -6.142908     -1.836902      0.625437
  N      -6.183523     -1.711115      1.957403
  C      -7.380044     -1.384945      2.501995
  H      -5.381004      4.630770      3.446890
  H      -5.882357      2.929421      3.704597
  H      -6.762176      5.141130      5.608606
  H      -7.698865      4.703109      4.156987
  H      -8.579876      3.344365      6.057469
  H      -6.902450      2.798122      6.396831
  H     -12.068369      2.332357      4.407216
  H     -11.092024      2.009016     -0.097060
  H      -8.895049      1.842808     -1.354013
  H      -6.769767      1.909636     -0.067838
  H      -1.303117     -0.821434      5.553349
  H      -2.949548     -1.154978      4.965060
  H      -0.489732     -1.837187      3.665177
  H      -1.138924     -0.463284      2.754220
  H      -3.405400     -2.083440      2.904864
  H      -2.072471     -3.277055      2.857872
  H      -4.846094      1.380901      0.902039
  H      -3.985588      0.503710     -3.565892
  H      -2.540329     -1.226110     -4.705213
  H      -1.265867     -2.852066     -3.287880
  H      -6.433482      0.447131      5.883067
  H      -6.139843      0.626785      7.622264
  H      -4.690548     -1.674924      6.364978
  H      -5.645349     -1.640780      7.865176
  H      -7.752460     -1.565349      6.358855
  H      -6.820719     -3.095786      6.333453
  H     -10.629321     -0.293001      4.116014
  H      -9.308999     -0.972087     -0.288202
  H      -7.109897     -1.715678     -1.296610
  H      -5.178901     -2.144996      0.216458
  N      -5.210001      0.933700      3.228866
  H      -4.770992      0.139325      2.738752
  H      -5.489133      1.587272      2.488581
  H      -6.092071      0.574433      3.609622
99
Coordinates from ORCA-job orca E -6478.893621959754
  N      -4.501422      3.665829      5.089551
  Mo     -3.927012      1.806692      4.691472
  N      -4.533888      0.965451      6.353004
  C      -3.650501      1.100412      7.516825
  C      -3.002646      2.486339      7.518481
  N      -2.423815      2.757775      6.175988
  C      -2.324830      4.207614      5.906764
  C      -3.717486      4.755804      5.620032
  C      -1.092326      2.114901      6.001736
  C      -1.070089      1.467559      4.600072
  N      -2.320565      0.721444      4.476243
  H      -3.656167      5.586800      4.893909
  H      -4.172287      5.165187      6.543730
  H      -1.700752      4.334372      5.010978
  H      -1.845062      4.734811      6.751165
  H      -0.182407      0.823571      4.485057
  H      -1.022675      2.255831      3.831546
  H      -0.968326      1.329136      6.759630
  H      -0.277714      2.847061      6.119958
  H      -4.212099      0.976462      8.458399
  H      -2.865849      0.319141      7.495358
  H      -3.782591      3.233735      7.713240
  H      -2.232660      2.565085      8.306314
  C      -5.594182      4.017150      4.200693
  C      -6.860272      4.537051      4.917911
  C      -7.499946      3.378863      5.673021
  O      -7.673118      2.287106      4.750512
  C      -8.824855      2.244163      4.003128
  N      -9.984446      2.378693      4.651030
  C     -11.107099      2.250905      3.924404
  N     -11.210302      2.056120      2.614920
  C     -10.030991      1.968946      1.929382
  C     -10.033834      1.768280      0.534652
  C      -8.812502      1.656147     -0.124722
  C      -7.625828      1.815002      0.598421
  N      -7.574614      2.027752      1.920885
  C      -8.762057      2.067702      2.595095
  C      -2.201335     -0.715077      4.669437
  C      -1.660136     -1.376283      3.371234
  C      -2.700641     -2.192380      2.584998
  O      -2.525993     -2.061847      1.153054
  C      -2.988845     -0.978997      0.520209
  N      -3.567140      0.020563      1.169626
  C      -4.113203      1.017206      0.428272
  N      -4.121961      1.137895     -0.883540
  C      -3.475206      0.146959     -1.575810
  C      -3.403037      0.185055     -2.987999
  C      -2.748629     -0.840613     -3.649824
  C      -2.177954     -1.890305     -2.899656
  N      -2.227845     -1.964379     -1.570923
  C      -2.864657     -0.961282     -0.914976
  C      -5.815985      0.340400      6.662041
  C      -5.768068     -1.209672      6.858616
  C      -6.909642     -1.952595      6.166905
  O      -6.645609     -1.973798      4.749937
  C      -7.581221     -1.555702      3.868191
  N      -8.744868     -1.066877      4.270969
  C      -9.660071     -0.790149      3.309880
  N      -9.560968     -1.055758      2.014846
  C      -8.341040     -1.489791      1.576416
  C      -8.102581     -1.722482      0.201074
  C      -6.856293     -2.213032     -0.181870
  C      -5.861828     -2.392484      0.790544
  N      -6.026965     -2.128080      2.092332
  C      -7.258893     -1.710927      2.480349
  H      -5.277572      4.750298      3.431964
  H      -5.879862      3.091530      3.698157
  H      -6.596625      5.343641      5.619677
  H      -7.572813      4.939338      4.181455
  H      -8.464887      3.619747      6.137117
  H      -6.795905      3.025339      6.438190
  H     -12.045626      2.341260      4.483447
  H     -10.986950      1.659201      0.017535
  H      -8.763657      1.449187     -1.192656
  H      -6.657233      1.752412      0.092356
  H      -1.528271     -0.952788      5.512652
  H      -3.195471     -1.121683      4.909491
  H      -0.799995     -2.018204      3.608459
  H      -1.303426     -0.575029      2.710412
  H      -3.733361     -1.909745      2.843407
  H      -2.565783     -3.266004      2.761381
  H      -4.632733      1.796127      1.007066
  H      -3.859822      1.024975     -3.513257
  H      -2.666939     -0.845481     -4.737986
  H      -1.655090     -2.708550     -3.404867
  H      -6.512968      0.570441      5.846115
  H      -6.239657      0.780798      7.584881
  H      -4.820750     -1.597726      6.453941
  H      -5.811183     -1.458072      7.929684
  H      -7.882576     -1.481240      6.361950
  H      -6.946182     -3.004881      6.487474
  H     -10.595849     -0.314616      3.649782
  H      -8.899108     -1.525206     -0.520178
  H      -6.639864     -2.436767     -1.227603
  H      -4.868896     -2.762752      0.509026
  N      -5.311394      0.991504      3.236477
  H      -4.901473      0.164049      2.760563
  H      -5.583706      1.627076      2.470824
  H      -6.209671      0.674504      3.626637
99
Coordinates from ORCA-job orca E -6478.903263918178
  N      -4.524296      3.656653      5.094027
  Mo     -3.918197      1.806390      4.701955
  N      -4.502203      0.938511      6.351425
  C      -3.616563      1.079114      7.512854
  C      -3.000202      2.475918      7.528128
  N      -2.430286      2.775571      6.187690
  C      -2.357615      4.228620      5.925284
  C      -3.760065      4.754234      5.637186
  C      -1.087538      2.162606      5.998298
  C      -1.054268      1.550781      4.589476
  N      -2.281174      0.775249      4.457353
  H      -3.709482      5.592634      4.918610
  H      -4.226420      5.151639      6.561133
  H      -1.732859      4.365094      5.031360
  H      -1.883092      4.758427      6.771076
  H      -0.151776      0.930110      4.459228
  H      -1.025567      2.352926      3.834971
  H      -0.945893      1.367710      6.743388
  H      -0.290294      2.911308      6.131936
  H      -4.172566      0.931979      8.454759
  H      -2.815044      0.315349      7.483959
  H      -3.793440      3.207568      7.729598
  H      -2.229877      2.565066      8.314521
  C      -5.630144      4.003991      4.215822
  C      -6.897890      4.492390      4.943614
  C      -7.567733      3.327133      5.676416
  O      -7.784362      2.247406      4.741058
  C      -8.937670      2.262953      4.011822
  N     -10.094404      2.406392      4.659601
  C     -11.212128      2.323901      3.917855
  N     -11.306552      2.167575      2.602255
  C     -10.121318      2.073044      1.925221
  C     -10.109986      1.905866      0.526325
  C      -8.885217      1.779932     -0.122588
  C      -7.701021      1.882185      0.618481
  N      -7.657456      2.062551      1.945796
  C      -8.857607      2.122618      2.602885
  C      -2.122784     -0.662861      4.641055
  C      -1.548168     -1.338675      3.362419
  C      -2.558693     -2.204562      2.594969
  O      -2.360360     -2.134574      1.162173
  C      -2.870536     -1.093879      0.501099
  N      -3.511922     -0.127707      1.138947
  C      -4.100101      0.831687      0.388128
  N      -4.100031      0.949945     -0.923926
  C      -3.393818     -0.012344     -1.602257
  C      -3.310629      0.020159     -3.012744
  C      -2.596589     -0.975084     -3.661036
  C      -1.979530     -1.986645     -2.899631
  N      -2.036170     -2.057702     -1.570231
  C      -2.731654     -1.084328     -0.930478
  C      -5.771148      0.290308      6.649196
  C      -5.698894     -1.253185      6.821525
  C      -6.846045     -1.986737      6.139806
  O      -6.630898     -1.979788      4.709031
  C      -7.604973     -1.553807      3.875099
  N      -8.747548     -1.069097      4.332530
  C      -9.696245     -0.763487      3.415003
  N      -9.647717     -0.978466      2.111247
  C      -8.448788     -1.408497      1.618558
  C      -8.257933     -1.583471      0.228064
  C      -7.025419     -2.043964     -0.218968
  C      -5.995734     -2.263681      0.708378
  N      -6.118439     -2.070491      2.025117
  C      -7.335980     -1.673290      2.472309
  H      -5.322476      4.749176      3.456878
  H      -5.919799      3.087357      3.689837
  H      -6.638656      5.286084      5.662272
  H      -7.600258      4.912468      4.207290
  H      -8.525902      3.597367      6.140459
  H      -6.886532      2.926906      6.439775
  H     -12.153930      2.416551      4.469231
  H     -11.059899      1.835814     -0.003308
  H      -8.830789      1.600852     -1.197159
  H      -6.731254      1.803306      0.117366
  H      -1.451173     -0.873760      5.492459
  H      -3.106535     -1.091596      4.882991
  H      -0.674557     -1.950999      3.628608
  H      -1.198195     -0.549507      2.683462
  H      -3.600494     -1.938429      2.829580
  H      -2.406660     -3.268439      2.811515
  H      -4.670709      1.576848      0.959824
  H      -3.807038      0.830189     -3.548499
  H      -2.505358     -0.984118     -4.748238
  H      -1.411324     -2.778073     -3.397524
  H      -6.475710      0.526316      5.840353
  H      -6.197369      0.714658      7.578085
  H      -4.752556     -1.624222      6.399281
  H      -5.719947     -1.520116      7.889437
  H      -7.817350     -1.529269      6.370814
  H      -6.865970     -3.045431      6.439583
  H     -10.601969     -0.280239      3.800592
  H      -9.077799     -1.354418     -0.453806
  H      -6.841858     -2.211120     -1.281159
  H      -5.009564     -2.600214      0.371643
  N      -5.312714      0.922395      3.275927
  H      -4.879604      0.104947      2.807281
  H      -5.626925      1.528664      2.500304
  H      -6.193311      0.586020      3.683374
99
Coordinates from ORCA-job orca E -6478.184271174803
  N      -4.411144      3.519037      4.865982
  Mo     -3.922786      1.652651      4.668448
  N      -4.571824      0.918549      6.346491
  C      -3.782175      1.133570      7.515054
  C      -3.145664      2.521997      7.486335
  N      -2.490919      2.706102      6.167279
  C      -1.998460      3.909467      5.621160
  C      -3.431716      4.565722      5.286628
  C      -1.146509      2.054945      5.985324
  C      -1.103967      1.401357      4.570005
  N      -2.309265      0.624507      4.452347
  H      -3.331748      5.272413      4.441954
  H      -3.771569      5.152354      6.164756
  H      -1.327556      3.759453      4.763367
  H      -1.425825      4.492950      6.365267
  H      -0.200016      0.778000      4.455101
  H      -1.070077      2.186009      3.797316
  H      -1.007757      1.299100      6.770956
  H      -0.343311      2.804871      6.078050
  H      -4.392973      1.054187      8.431802
  H      -2.991849      0.360308      7.584079
  H      -3.886497      3.325160      7.597911
  H      -2.423635      2.595413      8.319449
  C      -5.526342      3.895940      3.979820
  C      -6.774359      4.519082      4.624504
  C      -7.550977      3.463332      5.407566
  O      -7.770942      2.345075      4.516595
  C      -8.851329      2.388519      3.693342
  N     -10.058075      2.653517      4.191248
  C     -11.083478      2.580535      3.316773
  N     -11.032975      2.321463      2.010498
  C      -9.783000      2.099311      1.493765
  C      -9.601231      1.815799      0.122714
  C      -8.313093      1.563734     -0.347813
  C      -7.228691      1.643055      0.541290
  N      -7.348280      1.928207      1.840894
  C      -8.615041      2.126877      2.321230
  C      -2.092375     -0.799629      4.672498
  C      -1.580774     -1.355224      3.328780
  C      -2.620765     -2.235371      2.618322
  O      -2.607025     -2.039181      1.188982
  C      -3.375534     -0.991639      0.854019
  N      -4.030820     -0.344180      1.816216
  C      -4.903654      0.622048      1.450925
  N      -5.179553      1.036500      0.227884
  C      -4.475909      0.408766     -0.779284
  C      -4.686506      0.775579     -2.127266
  C      -3.973694      0.115259     -3.118168
  C      -3.067010     -0.898801     -2.756673
  N      -2.836320     -1.284271     -1.499808
  C      -3.529530     -0.637618     -0.528070
  C      -5.858642      0.317402      6.621607
  C      -5.855051     -1.195384      6.970229
  C      -6.982659     -1.904299      6.268925
  O      -6.572415     -2.037451      4.890089
  C      -7.322436     -1.594794      3.878349
  N      -8.422393     -0.894601      4.080116
  C      -9.125886     -0.553917      2.979125
  N      -8.874670     -0.910542      1.733705
  C      -7.711548     -1.580654      1.508243
  C      -7.316373     -1.932823      0.196557
  C      -6.123488     -2.619296      0.026093
  C      -5.324390     -2.897626      1.146338
  N      -5.642584     -2.554844      2.399223
  C      -6.834479     -1.925558      2.571192
  H      -5.149875      4.549926      3.170831
  H      -5.890926      2.973238      3.504850
  H      -6.495684      5.352261      5.290177
  H      -7.417155      4.921796      3.825612
  H      -8.510396      3.835958      5.793640
  H      -6.954184      3.064200      6.239318
  H     -12.077157      2.770784      3.737338
  H     -10.478745      1.765360     -0.523236
  H      -8.134217      1.301969     -1.392531
  H      -6.204849      1.462173      0.188129
  H      -1.384421     -0.974827      5.503275
  H      -3.030775     -1.299985      4.953628
  H      -0.650707     -1.929349      3.453322
  H      -1.339798     -0.491709      2.693411
  H      -3.650833     -2.071527      2.966607
  H      -2.368038     -3.294308      2.754280
  H      -5.471332      1.078525      2.289204
  H      -5.402197      1.568869     -2.349389
  H      -4.106772      0.370899     -4.171090
  H      -2.500377     -1.424549     -3.531919
  H      -6.495454      0.497042      5.744626
  H      -6.339953      0.838628      7.472078
  H      -4.905120     -1.667910      6.675318
  H      -5.962405     -1.334733      8.058048
  H      -7.925989     -1.348158      6.359789
  H      -7.138887     -2.928625      6.640632
  H      -9.988929      0.101413      3.142159
  H      -7.955803     -1.655087     -0.640885
  H      -5.787345     -2.924470     -0.966625
  H      -4.370762     -3.417031      1.021544
  N      -5.324667      0.561541      3.346259
  H      -5.700144      1.214485      2.635286
  H      -6.170740      0.165755      3.781257
  H      -4.956951     -0.249831      2.826107
99
Coordinates from ORCA-job orca E -6478.709838299969
  N      -4.453192      3.595749      4.963335
  Mo     -3.968160      1.738087      4.696272
  N      -4.598501      0.944866      6.356252
  C      -3.794693      1.116279      7.523256
  C      -3.155023      2.501138      7.536195
  N      -2.513755      2.730917      6.217986
  C      -2.026791      3.954066      5.709363
  C      -3.465211      4.624569      5.411994
  C      -1.173077      2.089236      6.003641
  C      -1.144324      1.490595      4.571122
  N      -2.342880      0.708322      4.430358
  H      -3.371540      5.360578      4.592010
  H      -3.795344      5.180091      6.313634
  H      -1.365250      3.834436      4.839866
  H      -1.446405      4.510744      6.467867
  H      -0.239060      0.875909      4.424614
  H      -1.120841      2.305136      3.829643
  H      -1.023419      1.306128      6.760099
  H      -0.371620      2.838250      6.115660
  H      -4.395714      1.005714      8.443213
  H      -3.005536      0.339460      7.556316
  H      -3.893493      3.300576      7.683991
  H      -2.423604      2.544640      8.363171
  C      -5.579209      4.000636      4.100613
  C      -6.820457      4.598048      4.784156
  C      -7.585593      3.517799      5.549412
  O      -7.838983      2.409883      4.652722
  C      -8.949456      2.469105      3.869944
  N     -10.131522      2.734774      4.423427
  C     -11.195932      2.677658      3.597180
  N     -11.207539      2.433494      2.288539
  C      -9.984539      2.209818      1.713194
  C      -9.871185      1.939667      0.332631
  C      -8.609685      1.683683     -0.200110
  C      -7.485308      1.746589      0.638070
  N      -7.538417      2.018962      1.944454
  C      -8.778099      2.221149      2.485828
  C      -2.044652     -0.723410      4.596666
  C      -1.462713     -1.297014      3.277171
  C      -2.333746     -2.308088      2.503734
  O      -2.207280     -2.145450      1.074118
  C      -3.092382     -1.250312      0.651274
  N      -3.931383     -0.768429      1.548076
  C      -4.926315      0.017251      1.116658
  N      -5.167539      0.410116     -0.121368
  C      -4.272341     -0.044490     -1.067402
  C      -4.425172      0.311658     -2.425701
  C      -3.515148     -0.181514     -3.350422
  C      -2.473229     -1.021202     -2.913247
  N      -2.290277     -1.389138     -1.643192
  C      -3.176668     -0.903641     -0.737384
  C      -5.883699      0.336875      6.627746
  C      -5.899291     -1.185966      6.934366
  C      -7.045486     -1.861299      6.228561
  O      -6.659117     -1.979299      4.841669
  C      -7.402362     -1.506871      3.838735
  N      -8.478302     -0.771688      4.046596
  C      -9.172799     -0.404519      2.947691
  N      -8.936165     -0.766532      1.700430
  C      -7.796999     -1.475376      1.470597
  C      -7.417095     -1.840061      0.157846
  C      -6.248546     -2.568494     -0.015565
  C      -5.456623     -2.875624      1.103129
  N      -5.760649     -2.521271      2.355771
  C      -6.929496     -1.850992      2.530226
  H      -5.212828      4.682361      3.310136
  H      -5.946994      3.093441      3.598727
  H      -6.531408      5.408044      5.473543
  H      -7.475317      5.026911      4.009077
  H      -8.536167      3.880980      5.965183
  H      -6.968194      3.100515      6.356832
  H     -12.167806      2.868934      4.065340
  H     -10.778871      1.901741     -0.271073
  H      -8.481193      1.430815     -1.254704
  H      -6.480629      1.561396      0.235250
  H      -1.320267     -0.845519      5.422709
  H      -2.951063     -1.278383      4.880154
  H      -0.501328     -1.795603      3.470146
  H      -1.261755     -0.428499      2.634803
  H      -3.404997     -2.280194      2.749799
  H      -1.954084     -3.318797      2.698791
  H      -5.636263      0.307515      1.915236
  H      -5.252917      0.964476     -2.707533
  H      -3.597145      0.071324     -4.409158
  H      -1.751317     -1.414778     -3.635937
  H      -6.528133      0.550132      5.764003
  H      -6.349856      0.834035      7.500763
  H      -4.960325     -1.666871      6.618732
  H      -5.998614     -1.349114      8.019592
  H      -7.976960     -1.290119      6.344638
  H      -7.215099     -2.891036      6.578745
  H     -10.012736      0.280161      3.114235
  H      -8.049323     -1.539472     -0.677773
  H      -5.925814     -2.885170     -1.009056
  H      -4.521309     -3.429788      0.978105
  N      -5.380778      0.714362      3.345813
  H      -5.752780      1.412008      2.681886
  H      -6.219681      0.309289      3.735282
  H      -5.022348     -0.073923      2.787704
99
Coordinates from ORCA-job orca E -6478.785260291262
  N      -4.449659      3.610078      5.001305
  Mo     -3.936265      1.754056      4.714734
  N      -4.593569      0.920541      6.356500
  C      -3.805731      1.092572      7.544175
  C      -3.191772      2.484924      7.590823
  N      -2.538654      2.736827      6.289926
  C      -2.073166      4.000901      5.807947
  C      -3.503485      4.652497      5.487487
  C      -1.179963      2.094687      6.097695
  C      -1.112074      1.519632      4.654645
  N      -2.306963      0.737824      4.472742
  H      -3.403552      5.405168      4.683427
  H      -3.868661      5.185877      6.387710
  H      -1.397893      3.913361      4.948609
  H      -1.522537      4.557459      6.589067
  H      -0.201989      0.909486      4.521547
  H      -1.070381      2.345862      3.927034
  H      -1.046600      1.299106      6.845638
  H      -0.382167      2.840891      6.241501
  H      -4.418429      0.958329      8.453352
  H      -3.002064      0.330478      7.579426
  H      -3.945763      3.269534      7.738632
  H      -2.473009      2.530768      8.428916
  C      -5.553020      4.018699      4.120237
  C      -6.814234      4.588764      4.794758
  C      -7.580816      3.488831      5.525583
  O      -7.825385      2.398883      4.606040
  C      -8.952432      2.487924      3.842857
  N     -10.111256      2.735188      4.450885
  C     -11.211058      2.705778      3.672103
  N     -11.283229      2.502830      2.361386
  C     -10.089124      2.296426      1.724967
  C     -10.049699      2.061147      0.335079
  C      -8.820602      1.813940     -0.265577
  C      -7.658201      1.855499      0.515209
  N      -7.638124      2.094285      1.830616
  C      -8.844822      2.284454      2.441114
  C      -2.008164     -0.693895      4.624822
  C      -1.430464     -1.240848      3.296397
  C      -2.302911     -2.259506      2.524686
  O      -2.213969     -2.087374      1.087977
  C      -3.138640     -1.248764      0.586188
  N      -4.083863     -0.768366      1.388758
  C      -5.103986     -0.075021      0.839843
  N      -5.262059      0.227392     -0.437946
  C      -4.266770     -0.216341     -1.281826
  C      -4.336750      0.053033     -2.666521
  C      -3.330362     -0.428368     -3.491819
  C      -2.275337     -1.171926     -2.930932
  N      -2.167400     -1.456252     -1.631882
  C      -3.147773     -0.980953     -0.821514
  C      -5.863651      0.279942      6.635296
  C      -5.838931     -1.245385      6.959610
  C      -6.975445     -1.941766      6.262546
  O      -6.576744     -2.054438      4.883796
  C      -7.328515     -1.549087      3.911976
  N      -8.374345     -0.794592      4.188691
  C      -9.085741     -0.356481      3.132461
  N      -8.885642     -0.661132      1.866332
  C      -7.784574     -1.393010      1.564348
  C      -7.463647     -1.692976      0.222983
  C      -6.328266     -2.450314     -0.027757
  C      -5.514757     -2.844841      1.048091
  N      -5.764625     -2.549928      2.329202
  C      -6.902283     -1.851868      2.575605
  H      -5.175871      4.719960      3.352540
  H      -5.900725      3.118760      3.590431
  H      -6.537981      5.384877      5.505023
  H      -7.463971      5.029963      4.022507
  H      -8.538945      3.830926      5.941626
  H      -6.963587      3.063839      6.328979
  H     -12.160142      2.882582      4.189582
  H     -10.987786      2.038846     -0.220957
  H      -8.743567      1.580903     -1.329811
  H      -6.683705      1.674437      0.053476
  H      -1.291679     -0.815186      5.457321
  H      -2.909212     -1.265961      4.891623
  H      -0.462161     -1.734101      3.466415
  H      -1.246031     -0.358506      2.667997
  H      -3.369336     -2.266176      2.785470
  H      -1.886386     -3.257598      2.711906
  H      -5.911860      0.212168      1.589299
  H      -5.179830      0.631957     -3.046759
  H      -3.347198     -0.240469     -4.566775
  H      -1.477784     -1.556323     -3.574428
  H      -6.518562      0.473130      5.775244
  H      -6.337181      0.769257      7.509188
  H      -4.891221     -1.710800      6.647010
  H      -5.930711     -1.399910      8.046606
  H      -7.908841     -1.373151      6.377185
  H      -7.143859     -2.972402      6.610251
  H      -9.901566      0.341597      3.356190
  H      -8.113806     -1.318145     -0.570921
  H      -6.045989     -2.721003     -1.046610
  H      -4.601987     -3.418207      0.861343
  N      -5.291156      0.752515      3.293122
  H      -5.632764      1.471124      2.633258
  H      -6.136098      0.314435      3.547295
  H      -4.889670     -0.010640      2.744553
99
Coordinates from ORCA-job orca E -6478.827846612735
  N      -4.451065      3.681451      5.034174
  Mo     -3.960774      1.812210      4.718142
  N      -4.625182      0.936626      6.345184
  C      -3.817231      1.089106      7.539921
  C      -3.195830      2.475990      7.613289
  N      -2.555469      2.739009      6.314977
  C      -2.110914      4.047512      5.857376
  C      -3.518388      4.715368      5.539635
  C      -1.200184      2.060400      6.126602
  C      -1.129485      1.517407      4.679144
  N      -2.342648      0.769103      4.468791
  H      -3.407699      5.484985      4.753192
  H      -3.893492      5.231424      6.443985
  H      -1.445266      3.983781      4.992862
  H      -1.566108      4.591478      6.651790
  H      -0.232451      0.889267      4.545070
  H      -1.057447      2.356385      3.968847
  H      -1.093407      1.247000      6.860810
  H      -0.384645      2.780527      6.293171
  H      -4.422375      0.936492      8.451130
  H      -3.011178      0.328492      7.555236
  H      -3.946585      3.259278      7.782080
  H      -2.468417      2.508009      8.444776
  C      -5.537773      4.119401      4.153890
  C      -6.791962      4.691846      4.835037
  C      -7.544617      3.568623      5.532751
  O      -7.762755      2.506304      4.577882
  C      -8.887747      2.537918      3.807896
  N     -10.061470      2.687233      4.418257
  C     -11.156638      2.570535      3.642343
  N     -11.216015      2.355739      2.334785
  C     -10.011856      2.249000      1.692843
  C      -9.962225      1.995124      0.306815
  C      -8.721059      1.846632     -0.299188
  C      -7.563319      2.012914      0.465923
  N      -7.553731      2.265465      1.780793
  C      -8.767522      2.351063      2.401570
  C      -2.083464     -0.674602      4.600095
  C      -1.493576     -1.246402      3.283639
  C      -2.391260     -2.239980      2.515732
  O      -2.284412     -2.096969      1.073422
  C      -3.159444     -1.230452      0.528006
  N      -4.087592     -0.672906      1.291171
  C      -5.062363      0.052685      0.712666
  N      -5.186538      0.328724     -0.573391
  C      -4.202339     -0.190674     -1.385339
  C      -4.234536      0.043133     -2.777053
  C      -3.242408     -0.514822     -3.571203
  C      -2.239094     -1.298369     -2.971963
  N      -2.167317     -1.552346     -1.665109
  C      -3.133469     -1.002909     -0.884212
  C      -5.886461      0.277778      6.642935
  C      -5.789425     -1.252004      6.976027
  C      -6.895227     -2.037491      6.313325
  O      -6.507233     -2.166960      4.931825
  C      -7.313191     -1.701221      3.984777
  N      -8.365892     -0.980909      4.322052
  C      -9.130996     -0.538858      3.309523
  N      -8.966248     -0.799289      2.032497
  C      -7.874859     -1.499575      1.661800
  C      -7.620378     -1.738880      0.296626
  C      -6.482778     -2.460484     -0.032049
  C      -5.610969     -2.870950      0.992888
  N      -5.803934     -2.632750      2.297669
  C      -6.940947     -1.972128      2.620798
  H      -5.146832      4.830365      3.402369
  H      -5.894941      3.234852      3.603463
  H      -6.519611      5.470883      5.565035
  H      -7.436122      5.155361      4.071672
  H      -8.506097      3.879191      5.964768
  H      -6.916008      3.129835      6.319641
  H     -12.115109      2.667532      4.162687
  H     -10.898620      1.877746     -0.239367
  H      -8.624953      1.594091     -1.356028
  H      -6.585401      1.921339     -0.011863
  H      -1.382792     -0.821616      5.440843
  H      -3.007039     -1.217835      4.850298
  H      -0.544485     -1.767272      3.476056
  H      -1.267742     -0.379775      2.647223
  H      -3.456487     -2.194643      2.774906
  H      -2.021399     -3.253895      2.715650
  H      -5.856146      0.380866      1.463273
  H      -5.038204      0.655467     -3.187960
  H      -3.231463     -0.356444     -4.650494
  H      -1.453751     -1.742824     -3.590630
  H      -6.563620      0.454768      5.797074
  H      -6.359837      0.752420      7.525275
  H      -4.824705     -1.672197      6.652705
  H      -5.855096     -1.390974      8.066761
  H      -7.857741     -1.520566      6.426912
  H      -6.999564     -3.066915      6.687972
  H      -9.957515      0.124288      3.583389
  H      -8.317547     -1.333597     -0.448285
  H      -6.236369     -2.680104     -1.071610
  H      -4.684069     -3.392379      0.738529
  N      -5.324477      0.871065      3.256494
  H      -5.637477      1.616367      2.615246
  H      -6.201043      0.431015      3.454843
  H      -4.939588      0.117237      2.690914
99
Coordinates from ORCA-job orca E -6478.855205542755
  N      -4.460235      3.730059      5.086514
  Mo     -3.950683      1.859011      4.733621
  N      -4.613797      0.934713      6.336109
  C      -3.797827      1.073215      7.544788
  C      -3.196835      2.467320      7.647364
  N      -2.568960      2.759063      6.353653
  C      -2.188316      4.122118      5.938761
  C      -3.575046      4.773369      5.620046
  C      -1.205739      2.078033      6.173362
  C      -1.110068      1.570086      4.721442
  N      -2.324706      0.823383      4.475622
  H      -3.466299      5.568304      4.858855
  H      -3.979899      5.255828      6.529200
  H      -1.525689      4.101557      5.071745
  H      -1.668575      4.660751      6.753495
  H      -0.209265      0.946579      4.590893
  H      -1.023429      2.423880      4.030284
  H      -1.111055      1.248028      6.890093
  H      -0.392975      2.793397      6.372329
  H      -4.398690      0.891539      8.453467
  H      -2.978842      0.326275      7.545469
  H      -3.964904      3.230785      7.831746
  H      -2.466093      2.503617      8.476453
  C      -5.536457      4.176475      4.207937
  C      -6.794487      4.712965      4.909938
  C      -7.535644      3.563035      5.581481
  O      -7.768155      2.513678      4.616566
  C      -8.909939      2.554619      3.876325
  N     -10.065956      2.692155      4.524428
  C     -11.185886      2.584321      3.783512
  N     -11.283957      2.383465      2.476732
  C     -10.098881      2.289790      1.796448
  C     -10.095937      2.050535      0.407627
  C      -8.876734      1.917768     -0.242188
  C      -7.691708      2.085572      0.481863
  N      -7.635710      2.319803      1.802177
  C      -8.830637      2.389375      2.464029
  C      -2.092753     -0.628368      4.588520
  C      -1.494363     -1.235242      3.288570
  C      -2.420515     -2.218479      2.548611
  O      -2.310721     -2.134844      1.099606
  C      -3.145349     -1.268425      0.497230
  N      -4.051038     -0.624202      1.211038
  C      -4.989363      0.100543      0.580056
  N      -5.096725      0.308329     -0.719056
  C      -4.129507     -0.300325     -1.486098
  C      -4.140028     -0.149326     -2.889377
  C      -3.166796     -0.796669     -3.639556
  C      -2.203754     -1.585851     -2.984467
  N      -2.152774     -1.764485     -1.663570
  C      -3.100304     -1.127432     -0.924843
  C      -5.870120      0.252330      6.610847
  C      -5.747089     -1.278606      6.922472
  C      -6.842991     -2.080794      6.250880
  O      -6.480727     -2.202800      4.854827
  C      -7.291847     -1.715857      3.909007
  N      -8.327303     -0.960633      4.243198
  C      -9.078019     -0.480772      3.227970
  N      -8.910600     -0.726983      1.946470
  C      -7.841971     -1.470113      1.577584
  C      -7.583484     -1.705409      0.209170
  C      -6.467219     -2.461162     -0.114162
  C      -5.619206     -2.912209      0.915217
  N      -5.817281     -2.688670      2.220012
  C      -6.931204     -1.991750      2.541660
  H      -5.149125      4.911914      3.478412
  H      -5.882985      3.306788      3.629733
  H      -6.527990      5.470983      5.664429
  H      -7.443184      5.195951      4.162446
  H      -8.494341      3.857716      6.030664
  H      -6.894833      3.109327      6.350616
  H     -12.128063      2.671886      4.335558
  H     -11.050780      1.932964     -0.106311
  H      -8.816003      1.675149     -1.303731
  H      -6.735814      2.007887     -0.039172
  H      -1.406112     -0.791860      5.437330
  H      -3.034814     -1.145368      4.827285
  H      -0.561324     -1.774650      3.507511
  H      -1.234478     -0.394901      2.629209
  H      -3.480520     -2.119215      2.816057
  H      -2.093513     -3.241784      2.774348
  H      -5.754135      0.494722      1.310180
  H      -4.913186      0.471376     -3.344723
  H      -3.140775     -0.703940     -4.726581
  H      -1.434040     -2.100459     -3.568427
  H      -6.547610      0.432402      5.765381
  H      -6.355092      0.704654      7.498815
  H      -4.773742     -1.676090      6.595625
  H      -5.812173     -1.428435      8.012228
  H      -7.810224     -1.577346      6.374201
  H      -6.929210     -3.114700      6.617504
  H      -9.890397      0.199600      3.507018
  H      -8.254971     -1.262409     -0.536522
  H      -6.211969     -2.671774     -1.153742
  H      -4.696590     -3.443516      0.659748
  N      -5.292693      0.954156      3.220773
  H      -5.592001      1.719064      2.594401
  H      -6.195875      0.489366      3.350201
  H      -4.863504      0.217423      2.642224
99
Coordinates from ORCA-job orca E -6478.873127547134
  N      -4.452457      3.750154      5.093525
  Mo     -3.948973      1.865072      4.747549
  N      -4.611672      0.933700      6.345080
  C      -3.786988      1.072091      7.558375
  C      -3.183657      2.469056      7.652505
  N      -2.563113      2.753718      6.353683
  C      -2.238260      4.145549      5.958611
  C      -3.593850      4.795385      5.630364
  C      -1.207527      2.063797      6.189026
  C      -1.104468      1.563828      4.742144
  N      -2.327318      0.822622      4.484512
  H      -3.473618      5.598406      4.879682
  H      -4.018919      5.269629      6.535101
  H      -1.580016      4.136440      5.086751
  H      -1.730931      4.683233      6.780711
  H      -0.205613      0.936741      4.616107
  H      -1.005554      2.419170      4.054888
  H      -1.126830      1.231584      6.901674
  H      -0.395015      2.775829      6.404569
  H      -4.385099      0.889292      8.468133
  H      -2.968485      0.326401      7.559617
  H      -3.958850      3.226303      7.834936
  H      -2.448441      2.520092      8.476250
  C      -5.518771      4.202925      4.213490
  C      -6.775000      4.729592      4.920653
  C      -7.507112      3.563286      5.570138
  O      -7.717978      2.532827      4.578254
  C      -8.861922      2.575535      3.842967
  N     -10.015000      2.684030      4.502471
  C     -11.140952      2.558736      3.774410
  N     -11.247129      2.355740      2.469517
  C     -10.067936      2.289072      1.776366
  C     -10.080185      2.037803      0.390035
  C      -8.868231      1.928763     -0.276737
  C      -7.676844      2.135179      0.427570
  N      -7.606599      2.376474      1.747088
  C      -8.793687      2.420769      2.426312
  C      -2.132841     -0.631270      4.591502
  C      -1.545155     -1.244627      3.291265
  C      -2.502663     -2.200343      2.557471
  O      -2.396749     -2.121532      1.108144
  C      -3.211267     -1.247088      0.489709
  N      -4.124135     -0.580121      1.179415
  C      -5.039174      0.149767      0.515323
  N      -5.115703      0.355155     -0.783718
  C      -4.140348     -0.272463     -1.522051
  C      -4.115955     -0.129399     -2.925806
  C      -3.137769     -0.797049     -3.650382
  C      -2.204090     -1.598661     -2.969392
  N      -2.185831     -1.770890     -1.647824
  C      -3.138026     -1.114622     -0.932159
  C      -5.865817      0.245814      6.612077
  C      -5.712590     -1.274742      6.936362
  C      -6.786488     -2.112954      6.266511
  O      -6.431746     -2.254349      4.866766
  C      -7.264268     -1.773957      3.929930
  N      -8.296580     -1.019178      4.277964
  C      -9.061920     -0.527140      3.275327
  N      -8.907104     -0.745975      1.986428
  C      -7.844612     -1.501661      1.604440
  C      -7.595489     -1.728362      0.231550
  C      -6.488408     -2.491607     -0.104670
  C      -5.637940     -2.961124      0.913619
  N      -5.826313     -2.753671      2.219059
  C      -6.929690     -2.047424      2.556826
  H      -5.129209      4.942412      3.488295
  H      -5.871917      3.341386      3.626084
  H      -6.514281      5.478903      5.685087
  H      -7.426041      5.218178      4.178862
  H      -8.470224      3.840976      6.020547
  H      -6.866218      3.099692      6.333394
  H     -12.078237      2.625156      4.336841
  H     -11.039352      1.891500     -0.107152
  H      -8.816754      1.672737     -1.335458
  H      -6.731096      2.083467     -0.115986
  H      -1.454092     -0.817563      5.442050
  H      -3.090065     -1.121516      4.825130
  H      -0.624419     -1.802953      3.511702
  H      -1.261767     -0.413305      2.629545
  H      -3.555861     -2.064950      2.835376
  H      -2.209957     -3.235197      2.776160
  H      -5.807311      0.542706      1.213374
  H      -4.867829      0.500886     -3.402020
  H      -3.085829     -0.711137     -4.736548
  H      -1.430706     -2.129577     -3.532818
  H      -6.540692      0.404971      5.761006
  H      -6.363410      0.703160      7.490368
  H      -4.725818     -1.646198      6.620375
  H      -5.780994     -1.419187      8.026051
  H      -7.766508     -1.630757      6.372680
  H      -6.846751     -3.140869      6.652265
  H      -9.874222      0.140380      3.577000
  H      -8.262078     -1.266492     -0.503377
  H      -6.237165     -2.689999     -1.147156
  H      -4.714630     -3.484814      0.644636
  N      -5.294471      0.983166      3.225156
  H      -5.581730      1.749464      2.597921
  H      -6.209112      0.518609      3.320524
  H      -4.832715      0.250555      2.656760
99
Coordinates from ORCA-job orca E -6478.886988929518
  N      -4.457955      3.777037      5.135563
  Mo     -3.944893      1.893512      4.774318
  N      -4.599613      0.933030      6.355106
  C      -3.774711      1.054921      7.571119
  C      -3.171199      2.452560      7.677193
  N      -2.550325      2.754939      6.379325
  C      -2.274478      4.166287      6.033616
  C      -3.620034      4.813609      5.705923
  C      -1.202609      2.071877      6.215453
  C      -1.094373      1.594852      4.765244
  N      -2.319465      0.856231      4.488418
  H      -3.489279      5.638928      4.980828
  H      -4.067918      5.260812      6.613598
  H      -1.615643      4.187638      5.161844
  H      -1.777835      4.686007      6.872781
  H      -0.194994      0.969632      4.633807
  H      -0.991313      2.459686      4.090580
  H      -1.130505      1.226096      6.911366
  H      -0.393976      2.782133      6.456796
  H      -4.372851      0.857062      8.477578
  H      -2.956450      0.310562      7.563257
  H      -3.954169      3.200939      7.865864
  H      -2.435454      2.503409      8.499915
  C      -5.518984      4.245859      4.253296
  C      -6.788042      4.741677      4.962946
  C      -7.529767      3.553174      5.572447
  O      -7.738423      2.543298      4.557066
  C      -8.883976      2.606807      3.825390
  N     -10.032615      2.727920      4.485412
  C     -11.161626      2.617269      3.761079
  N     -11.273612      2.406369      2.459211
  C     -10.100002      2.326714      1.765317
  C     -10.122318      2.066760      0.379269
  C      -8.914642      1.954781     -0.291194
  C      -7.717653      2.167126      0.408911
  N      -7.639835      2.405979      1.728567
  C      -8.823089      2.454111      2.409960
  C      -2.149573     -0.600403      4.577402
  C      -1.562932     -1.226206      3.283420
  C      -2.528148     -2.171547      2.544301
  O      -2.387971     -2.104481      1.099361
  C      -3.178421     -1.226766      0.461295
  N      -4.088932     -0.523646      1.134928
  C      -5.003702      0.195220      0.446297
  N      -5.085391      0.360106     -0.854575
  C      -4.112776     -0.306307     -1.575701
  C      -4.102034     -0.217664     -2.980236
  C      -3.133552     -0.928122     -3.685875
  C      -2.197411     -1.719827     -2.982203
  N      -2.169171     -1.842325     -1.658896
  C      -3.108928     -1.141990     -0.962741
  C      -5.846209      0.228681      6.605309
  C      -5.661940     -1.289393      6.922878
  C      -6.717353     -2.154329      6.249720
  O      -6.381743     -2.298739      4.841336
  C      -7.224747     -1.808919      3.918344
  N      -8.236751     -1.040215      4.280794
  C      -9.007219     -0.530197      3.296549
  N      -8.875493     -0.727482      2.006245
  C      -7.834542     -1.512974      1.610040
  C      -7.605595     -1.739866      0.237459
  C      -6.528160     -2.541014     -0.113214
  C      -5.683582     -3.056568      0.890623
  N      -5.846485     -2.846287      2.192965
  C      -6.922679     -2.095321      2.544233
  H      -5.125276      5.011264      3.554780
  H      -5.857992      3.401580      3.631715
  H      -6.540811      5.468565      5.753524
  H      -7.433506      5.250327      4.226982
  H      -8.496004      3.823976      6.018404
  H      -6.898484      3.066589      6.331950
  H     -12.094150      2.695155      4.324381
  H     -11.084156      1.920327     -0.114547
  H      -8.869991      1.692009     -1.349880
  H      -6.776849      2.124926     -0.143446
  H      -1.477252     -0.809320      5.429173
  H      -3.120027     -1.068259      4.804947
  H      -0.652808     -1.795597      3.522228
  H      -1.256105     -0.405761      2.615571
  H      -3.591182     -2.015240      2.804200
  H      -2.263254     -3.214869      2.767941
  H      -5.757696      0.620899      1.121046
  H      -4.861283      0.402415     -3.470204
  H      -3.093431     -0.884957     -4.772529
  H      -1.433834     -2.286132     -3.528203
  H      -6.518003      0.377089      5.749045
  H      -6.357275      0.677891      7.481389
  H      -4.664477     -1.633709      6.608588
  H      -5.728536     -1.442381      8.011157
  H      -7.708246     -1.693116      6.353822
  H      -6.749551     -3.182846      6.640954
  H      -9.806733      0.129923      3.620991
  H      -8.262230     -1.247338     -0.485359
  H      -6.293764     -2.735890     -1.157234
  H      -4.786012     -3.621494      0.610405
  N      -5.275860      1.062303      3.216448
  H      -5.570297      1.851533      2.574056
  H      -6.186666      0.610860      3.341996
  H      -4.785319      0.349398      2.625171
99
Coordinates from ORCA-job orca E -6478.895859591865
  N      -4.470601      3.791997      5.148141
  Mo     -3.935870      1.904849      4.790570
  N      -4.576868      0.927948      6.360038
  C      -3.747501      1.047235      7.577027
  C      -3.150412      2.447863      7.681000
  N      -2.532628      2.760059      6.377094
  C      -2.320437      4.195735      6.065596
  C      -3.657828      4.830522      5.738131
  C      -1.191749      2.087126      6.213477
  C      -1.078009      1.623081      4.765540
  N      -2.303250      0.882567      4.484428
  H      -3.522037      5.672410      5.032045
  H      -4.129947      5.258460      6.647644
  H      -1.664315      4.242574      5.187026
  H      -1.832718      4.709005      6.916108
  H      -0.176143      1.000403      4.630676
  H      -0.975205      2.489327      4.094977
  H      -1.123605      1.234283      6.899086
  H      -0.389793      2.798899      6.473811
  H      -4.343275      0.840333      8.483248
  H      -2.925353      0.306256      7.566122
  H      -3.944435      3.185366      7.870470
  H      -2.411753      2.511029      8.499955
  C      -5.537143      4.270474      4.269410
  C      -6.811654      4.724315      5.001128
  C      -7.541572      3.512155      5.579415
  O      -7.748216      2.525054      4.538754
  C      -8.902626      2.597528      3.823257
  N     -10.051804      2.699582      4.491681
  C     -11.186465      2.593617      3.771467
  N     -11.300140      2.395100      2.466204
  C     -10.123870      2.336261      1.766440
  C     -10.142638      2.092107      0.378528
  C      -8.932148      2.009711     -0.295601
  C      -7.733424      2.234095      0.402213
  N      -7.658664      2.450553      1.722445
  C      -8.844430      2.470300      2.405861
  C      -2.167408     -0.574017      4.572817
  C      -1.599950     -1.226823      3.286664
  C      -2.594975     -2.149795      2.563333
  O      -2.439037     -2.096998      1.119663
  C      -3.175429     -1.202274      0.456484
  N      -4.036800     -0.434168      1.105551
  C      -4.892393      0.296390      0.375582
  N      -4.958615      0.419596     -0.934716
  C      -4.033706     -0.318481     -1.623670
  C      -4.011902     -0.286858     -3.032138
  C      -3.095497     -1.069812     -3.707782
  C      -2.223217     -1.877123     -2.968092
  N      -2.207748     -1.948797     -1.636026
  C      -3.096679     -1.174964     -0.970876
  C      -5.819204      0.209546      6.599753
  C      -5.616257     -1.304981      6.906247
  C      -6.659823     -2.187883      6.240656
  O      -6.356416     -2.329008      4.823186
  C      -7.221616     -1.834945      3.923232
  N      -8.222633     -1.071588      4.302672
  C      -9.005163     -0.548223      3.332957
  N      -8.888047     -0.711982      2.033004
  C      -7.857611     -1.500250      1.622170
  C      -7.632668     -1.703082      0.241545
  C      -6.574469     -2.502343     -0.129546
  C      -5.738262     -3.052371      0.862600
  N      -5.890446     -2.864856      2.171714
  C      -6.949323     -2.107792      2.542448
  H      -5.151864      5.059319      3.594878
  H      -5.867942      3.448162      3.617822
  H      -6.572324      5.428255      5.815277
  H      -7.465500      5.247335      4.284310
  H      -8.507839      3.763818      6.036206
  H      -6.905752      3.009025      6.322555
  H     -12.119961      2.656524      4.341670
  H     -11.104364      1.938012     -0.113462
  H      -8.886473      1.759516     -1.355053
  H      -6.793651      2.222406     -0.157923
  H      -1.500591     -0.802329      5.424630
  H      -3.151737     -1.007715      4.805274
  H      -0.703558     -1.813765      3.538022
  H      -1.270141     -0.429361      2.602694
  H      -3.655029     -1.956351      2.818863
  H      -2.374216     -3.201410      2.792015
  H      -5.618586      0.779634      1.020851
  H      -4.725759      0.346221     -3.545590
  H      -3.049161     -1.071716     -4.798882
  H      -1.500020     -2.502004     -3.489641
  H      -6.490842      0.351247      5.742516
  H      -6.337200      0.654661      7.474548
  H      -4.612775     -1.624106      6.585610
  H      -5.676136     -1.472159      7.993076
  H      -7.658829     -1.749573      6.353950
  H      -6.661523     -3.215416      6.633231
  H      -9.799529      0.103526      3.681346
  H      -8.277159     -1.188371     -0.471383
  H      -6.344675     -2.673591     -1.183527
  H      -4.858749     -3.627941      0.564689
  N      -5.244519      1.086026      3.201945
  H      -5.525382      1.842533      2.588674
  H      -6.164797      0.624448      3.320912
  H      -4.732726      0.413988      2.613745
99
Coordinates from ORCA-job orca E -6478.901182193286
  N      -4.505267      3.800902      5.157117
  Mo     -3.962393      1.914050      4.801470
  N      -4.574672      0.927153      6.367206
  C      -3.730338      1.037515      7.573459
  C      -3.125312      2.435205      7.670537
  N      -2.519139      2.757053      6.354832
  C      -2.338741      4.199071      6.067992
  C      -3.685002      4.829870      5.758140
  C      -1.190309      2.093710      6.169636
  C      -1.097052      1.643466      4.718101
  N      -2.322988      0.904239      4.452953
  H      -3.551798      5.682616      5.067753
  H      -4.155371      5.242603      6.676040
  H      -1.695507      4.263344      5.180555
  H      -1.839433      4.700991      6.919758
  H      -0.197145      1.020569      4.563746
  H      -1.005300      2.512122      4.049436
  H      -1.115749      1.231721      6.843644
  H      -0.387658      2.802827      6.433818
  H      -4.316141      0.828264      8.485953
  H      -2.911527      0.291515      7.550412
  H      -3.917180      3.170575      7.868955
  H      -2.375688      2.498853      8.480135
  C      -5.591409      4.303736      4.301063
  C      -6.849319      4.731580      5.072804
  C      -7.551262      3.500903      5.621841
  O      -7.757740      2.558047      4.536033
  C      -8.917578      2.629804      3.826343
  N     -10.073117      2.708068      4.487762
  C     -11.199639      2.597687      3.756479
  N     -11.296252      2.404326      2.447014
  C     -10.110144      2.368374      1.757044
  C     -10.098230      2.125269      0.371146
  C      -8.876235      2.070596     -0.286372
  C      -7.696468      2.323071      0.423895
  N      -7.649638      2.532911      1.739925
  C      -8.844066      2.522971      2.408487
  C      -2.187914     -0.550557      4.545752
  C      -1.619324     -1.213224      3.263328
  C      -2.593520     -2.156398      2.546202
  O      -2.406239     -2.104784      1.105928
  C      -3.150136     -1.211890      0.430474
  N      -4.027111     -0.431571      1.070923
  C      -4.886986      0.291057      0.325693
  N      -4.945379      0.395951     -0.984880
  C      -3.999683     -0.356617     -1.661094
  C      -3.965108     -0.350155     -3.067446
  C      -3.023004     -1.147385     -3.730851
  C      -2.140026     -1.944051     -2.979861
  N      -2.139008     -1.994854     -1.646651
  C      -3.054368     -1.204378     -0.994444
  C      -5.817060      0.202630      6.609355
  C      -5.608647     -1.309132      6.909899
  C      -6.643043     -2.208005      6.262894
  O      -6.348805     -2.353355      4.844604
  C      -7.223944     -1.856143      3.951449
  N      -8.228162     -1.078075      4.334929
  C      -9.022470     -0.545755      3.364910
  N      -8.908685     -0.703904      2.056381
  C      -7.876532     -1.507515      1.642577
  C      -7.653127     -1.703832      0.255837
  C      -6.604235     -2.519312     -0.126428
  C      -5.770283     -3.094315      0.861590
  N      -5.915929     -2.908370      2.178391
  C      -6.967132     -2.133542      2.561075
  H      -5.220592      5.110810      3.646512
  H      -5.934917      3.507152      3.628375
  H      -6.600483      5.410344      5.906092
  H      -7.521397      5.272307      4.388879
  H      -8.510932      3.725749      6.106821
  H      -6.898493      2.977485      6.333498
  H     -12.139522      2.645084      4.320488
  H     -11.046370      1.950773     -0.132060
  H      -8.807829      1.818931     -1.341241
  H      -6.749616      2.341634     -0.124915
  H      -1.513280     -0.778113      5.391461
  H      -3.170557     -0.978726      4.794154
  H      -0.715345     -1.784995      3.526730
  H      -1.297717     -0.424843      2.566992
  H      -3.657586     -1.975546      2.784148
  H      -2.370433     -3.207324      2.784604
  H      -5.643781      0.791406      0.952050
  H      -4.691086      0.274595     -3.587897
  H      -2.966381     -1.167909     -4.821141
  H      -1.395723     -2.580892     -3.491468
  H      -6.490393      0.340013      5.754576
  H      -6.335078      0.649185      7.482754
  H      -4.603291     -1.613488      6.580969
  H      -5.661155     -1.484205      7.996317
  H      -7.651330     -1.790055      6.378613
  H      -6.618520     -3.229776      6.666343
  H      -9.826713      0.125082      3.721235
  H      -8.295320     -1.167207     -0.454917
  H      -6.378626     -2.685872     -1.186672
  H      -4.904166     -3.689833      0.554906
  N      -5.280980      1.106444      3.210623
  H      -5.574451      1.877912      2.598189
  H      -6.217157      0.637262      3.431868
  H      -4.747242      0.431659      2.584154
99
Coordinates from ORCA-job orca E -6478.906213014421
  N      -4.521669      3.799932      5.184403
  Mo     -3.959898      1.922317      4.831145
  N      -4.566154      0.920601      6.388010
  C      -3.731236      1.018666      7.596779
  C      -3.122925      2.412173      7.699507
  N      -2.508076      2.747083      6.390423
  C      -2.355332      4.201050      6.143198
  C      -3.714231      4.819540      5.825266
  C      -1.181025      2.089843      6.206727
  C      -1.083434      1.658035      4.744463
  N      -2.309779      0.925874      4.464694
  H      -3.574497      5.690083      5.159541
  H      -4.204283      5.204062      6.741546
  H      -1.707960      4.298074      5.265457
  H      -1.866666      4.688833      7.006937
  H      -0.185473      1.035467      4.585198
  H      -0.987684      2.535770      4.083833
  H      -1.116396      1.212625      6.866210
  H      -0.376073      2.790213      6.492458
  H      -4.321772      0.806371      8.505435
  H      -2.917025      0.268606      7.573029
  H      -3.916638      3.144935      7.894132
  H      -2.377342      2.473591      8.512592
  C      -5.600223      4.316449      4.333368
  C      -6.867837      4.717086      5.097788
  C      -7.583219      3.472894      5.604411
  O      -7.782198      2.558034      4.493429
  C      -8.933098      2.664203      3.776147
  N     -10.081482      2.786215      4.426100
  C     -11.203933      2.708035      3.686497
  N     -11.303921      2.497268      2.380846
  C     -10.125080      2.414150      1.698408
  C     -10.124497      2.146834      0.309023
  C      -8.908825      2.057112     -0.347459
  C      -7.727730      2.298678      0.367606
  N      -7.667898      2.521231      1.689495
  C      -8.859998      2.545368      2.356244
  C      -2.172065     -0.528678      4.547731
  C      -1.606844     -1.185157      3.260115
  C      -2.583589     -2.127149      2.547692
  O      -2.407470     -2.079530      1.108348
  C      -3.150046     -1.191278      0.421775
  N      -4.002284     -0.392938      1.053676
  C      -4.872487      0.323325      0.298735
  N      -4.953442      0.399063     -1.012966
  C      -4.036064     -0.370926     -1.685451
  C      -4.038656     -0.395918     -3.095249
  C      -3.132403     -1.217864     -3.745525
  C      -2.244225     -2.004299     -2.979503
  N      -2.207759     -2.021929     -1.647958
  C      -3.087725     -1.209694     -1.006916
  C      -5.798680      0.182099      6.617888
  C      -5.566588     -1.323872      6.918008
  C      -6.583326     -2.229954      6.258958
  O      -6.277327     -2.360948      4.843104
  C      -7.148251     -1.847380      3.951042
  N      -8.148021     -1.062672      4.348826
  C      -8.945589     -0.529541      3.388913
  N      -8.838113     -0.691519      2.080122
  C      -7.818364     -1.504281      1.650169
  C      -7.614770     -1.718484      0.263308
  C      -6.582718     -2.566042     -0.132161
  C      -5.751862     -3.146676      0.843237
  N      -5.880924     -2.938101      2.158568
  C      -6.911305     -2.136319      2.554252
  H      -5.224749      5.150599      3.710898
  H      -5.925469      3.536044      3.630135
  H      -6.634895      5.373126      5.951674
  H      -7.531829      5.276822      4.418025
  H      -8.548438      3.699571      6.077713
  H      -6.948979      2.922002      6.314119
  H     -12.137983      2.798052      4.241270
  H     -11.075938      1.986792     -0.197347
  H      -8.846220      1.788077     -1.406939
  H      -6.787805      2.302754     -0.183959
  H      -1.497325     -0.763740      5.391521
  H      -3.153647     -0.960692      4.793364
  H      -0.702248     -1.753975      3.516806
  H      -1.292215     -0.396487      2.564496
  H      -3.635216     -1.942557      2.790352
  H      -2.365177     -3.175195      2.786868
  H      -5.607562      0.853445      0.908046
  H      -4.769173      0.221250     -3.628720
  H      -3.106335     -1.267587     -4.833543
  H      -1.530406     -2.661426     -3.479136
  H      -6.462906      0.306312      5.753037
  H      -6.333799      0.622499      7.483663
  H      -4.553688     -1.611589      6.595981
  H      -5.620486     -1.507189      8.002361
  H      -7.599977     -1.829060      6.369316
  H      -6.543328     -3.251483      6.657588
  H      -9.751481      0.122430      3.757776
  H      -8.256885     -1.180066     -0.438442
  H      -6.375134     -2.754294     -1.187223
  H      -4.907143     -3.774631      0.531880
  N      -5.267838      1.147088      3.217284
  H      -5.586859      1.927489      2.575588
  H      -6.140402      0.706765      3.449884
  H      -4.735193      0.501353      2.580727
99
Coordinates from ORCA-job orca E -6478.910196430671
  N      -4.516075      3.799516      5.170913
  Mo     -3.947921      1.919326      4.845421
  N      -4.543042      0.926801      6.406063
  C      -3.706915      1.028083      7.613423
  C      -3.096686      2.420475      7.700416
  N      -2.483887      2.750656      6.386962
  C      -2.355161      4.207970      6.149217
  C      -3.717997      4.814293      5.829535
  C      -1.156577      2.095605      6.197618
  C      -1.064500      1.664923      4.732993
  N      -2.293980      0.932505      4.455260
  H      -3.577004      5.693631      5.173790
  H      -4.216859      5.187305      6.745160
  H      -1.707246      4.316373      5.270898
  H      -1.869867      4.696283      7.012617
  H      -0.167758      1.042216      4.568196
  H      -0.971096      2.543685      4.074142
  H      -1.093975      1.214867      6.851690
  H      -0.349032      2.791800      6.488127
  H      -4.296307      0.827227      8.525077
  H      -2.897457      0.272586      7.595935
  H      -3.891232      3.156160      7.888092
  H      -2.350025      2.490270      8.511484
  C      -5.598064      4.318290      4.331389
  C      -6.876191      4.687206      5.094737
  C      -7.596291      3.427415      5.577484
  O      -7.788571      2.520389      4.462142
  C      -8.937943      2.631447      3.749686
  N     -10.083511      2.771294      4.396896
  C     -11.206848      2.709128      3.653946
  N     -11.308636      2.498384      2.350171
  C     -10.131210      2.401107      1.670810
  C     -10.132285      2.146540      0.280079
  C      -8.916394      2.062169     -0.376569
  C      -7.730530      2.288893      0.342940
  N      -7.671489      2.493074      1.666947
  C      -8.865002      2.516873      2.330199
  C      -2.168276     -0.522504      4.549030
  C      -1.613238     -1.187361      3.262703
  C      -2.605037     -2.120650      2.558265
  O      -2.431761     -2.085344      1.118872
  C      -3.168180     -1.197930      0.433952
  N      -4.022766     -0.390421      1.066014
  C      -4.873910      0.333727      0.306621
  N      -4.934074      0.408536     -1.005956
  C      -4.013442     -0.372020     -1.677803
  C      -3.991751     -0.398386     -3.089613
  C      -3.079406     -1.229892     -3.734560
  C      -2.210516     -2.023667     -2.962945
  N      -2.197593     -2.040311     -1.630975
  C      -3.083283     -1.219700     -0.995234
  C      -5.775622      0.186991      6.623534
  C      -5.534842     -1.316479      6.910155
  C      -6.546539     -2.230491      6.242572
  O      -6.271390     -2.347041      4.815527
  C      -7.159220     -1.833793      3.946136
  N      -8.151393     -1.083379      4.364756
  C      -8.967449     -0.564817      3.429376
  N      -8.884647     -0.706361      2.125059
  C      -7.871084     -1.484466      1.674116
  C      -7.686448     -1.681388      0.289263
  C      -6.658737     -2.494905     -0.126787
  C      -5.817356     -3.069097      0.828081
  N      -5.929402     -2.880807      2.139163
  C      -6.950596     -2.105067      2.552701
  H      -5.223537      5.172274      3.731895
  H      -5.907857      3.554216      3.604617
  H      -6.655710      5.328598      5.962377
  H      -7.539818      5.255004      4.419544
  H      -8.565217      3.645886      6.042727
  H      -6.969629      2.866364      6.285606
  H     -12.140085      2.816233      4.205407
  H     -11.086349      2.001095     -0.228718
  H      -8.856568      1.812966     -1.438437
  H      -6.786508      2.301810     -0.206031
  H      -1.498042     -0.766021      5.395351
  H      -3.156449     -0.941711      4.794327
  H      -0.708832     -1.759145      3.517180
  H      -1.298019     -0.403248      2.559475
  H      -3.654451     -1.913235      2.805448
  H      -2.404320     -3.171918      2.801710
  H      -5.607420      0.876156      0.901723
  H      -4.707661      0.225198     -3.628797
  H      -3.032197     -1.282067     -4.822888
  H      -1.490508     -2.687143     -3.459387
  H      -6.430755      0.309446      5.749655
  H      -6.323341      0.625435      7.483817
  H      -4.521184     -1.590599      6.581735
  H      -5.579718     -1.512720      7.992959
  H      -7.567641     -1.851946      6.368650
  H      -6.481893     -3.255653      6.630910
  H      -9.761451      0.051878      3.816119
  H      -8.335761     -1.159836     -0.396516
  H      -6.465187     -2.668152     -1.180767
  H      -4.979853     -3.684599      0.501015
  N      -5.267736      1.106971      3.254715
  H      -5.597139      1.865652      2.632612
  H      -6.150771      0.648978      3.499020
  H      -4.730000      0.479229      2.643732
99
Coordinates from ORCA-job orca E -6478.912062088450
  N      -4.511525      3.805824      5.162704
  Mo     -3.944829      1.922603      4.863060
  N      -4.541881      0.934169      6.422689
  C      -3.706983      1.035420      7.630265
  C      -3.087000      2.424963      7.708018
  N      -2.469737      2.755386      6.390704
  C      -2.345829      4.206968      6.162082
  C      -3.712098      4.807228      5.842325
  C      -1.144294      2.108525      6.189227
  C      -1.060438      1.686244      4.717324
  N      -2.289167      0.948615      4.441885
  H      -3.568486      5.694602      5.197161
  H      -4.213315      5.170416      6.761072
  H      -1.693375      4.323787      5.285229
  H      -1.859137      4.690906      7.026916
  H      -0.162808      1.066980      4.541035
  H      -0.974912      2.569454      4.063749
  H      -1.079306      1.222690      6.834923
  H      -0.336085      2.803122      6.483922
  H      -4.299606      0.848069      8.544137
  H      -2.905447      0.270131      7.619496
  H      -3.877816      3.167442      7.888434
  H      -2.341268      2.495994      8.521576
  C      -5.600925      4.343267      4.337433
  C      -6.879871      4.683645      5.114603
  C      -7.585394      3.406412      5.570458
  O      -7.761874      2.527752      4.431497
  C      -8.911673      2.633465      3.723508
  N     -10.066632      2.752777      4.371078
  C     -11.191209      2.681151      3.625247
  N     -11.283856      2.475659      2.320641
  C     -10.095499      2.398725      1.643927
  C     -10.079861      2.152160      0.257490
  C      -8.854744      2.098587     -0.392104
  C      -7.672724      2.340876      0.332270
  N      -7.631520      2.532291      1.650740
  C      -8.831045      2.529644      2.305651
  C      -2.161484     -0.506203      4.539783
  C      -1.623198     -1.160063      3.240609
  C      -2.618314     -2.098890      2.546009
  O      -2.465179     -2.059338      1.102335
  C      -3.211327     -1.173146      0.429053
  N      -4.045375     -0.363887      1.065130
  C      -4.887917      0.364899      0.308682
  N      -4.961914      0.442280     -0.999352
  C      -4.068591     -0.345972     -1.669892
  C      -4.067746     -0.373552     -3.073777
  C      -3.187877     -1.215001     -3.717085
  C      -2.326954     -2.014734     -2.953249
  N      -2.290842     -2.029353     -1.626766
  C      -3.147383     -1.198804     -0.994093
  C      -5.783962      0.196403      6.628028
  C      -5.567169     -1.309370      6.927793
  C      -6.582050     -2.232533      6.269604
  O      -6.305132     -2.386467      4.836845
  C      -7.171786     -1.875628      3.944065
  N      -8.169714     -1.096221      4.325066
  C      -8.962078     -0.563775      3.356489
  N      -8.846942     -0.696191      2.050873
  C      -7.820687     -1.508827      1.640857
  C      -7.593163     -1.703646      0.260502
  C      -6.569883     -2.565256     -0.113688
  C      -5.770328     -3.198014      0.881298
  N      -5.912934     -3.005116      2.188516
  C      -6.930985     -2.174297      2.559215
  H      -5.229697      5.214188      3.762416
  H      -5.909431      3.602052      3.588073
  H      -6.661226      5.306485      5.997940
  H      -7.552483      5.260739      4.456427
  H      -8.556128      3.595934      6.040422
  H      -6.950967      2.838322      6.264655
  H     -12.133882      2.774475      4.176633
  H     -11.030338      1.993684     -0.255504
  H      -8.786581      1.861966     -1.449283
  H      -6.717377      2.380643     -0.205584
  H      -1.484375     -0.753142      5.379912
  H      -3.145403     -0.928819      4.795484
  H      -0.706373     -1.724474      3.476164
  H      -1.330600     -0.367002      2.535465
  H      -3.670786     -1.897194      2.807521
  H      -2.408312     -3.150422      2.788404
  H      -5.614154      0.914762      0.892989
  H      -4.773394      0.256007     -3.608549
  H      -3.158564     -1.270001     -4.801472
  H      -1.631924     -2.685986     -3.451119
  H      -6.424458      0.317151      5.742873
  H      -6.342976      0.649615      7.475660
  H      -4.553607     -1.599144      6.606798
  H      -5.619226     -1.494957      8.016384
  H      -7.604936     -1.849887      6.387446
  H      -6.515950     -3.252862      6.683131
  H      -9.769562      0.071166      3.713130
  H      -8.212615     -1.142836     -0.460279
  H      -6.350344     -2.743914     -1.165865
  H      -4.947939     -3.864673      0.586522
  N      -5.272462      1.075431      3.291568
  H      -5.597892      1.810757      2.690012
  H      -6.163031      0.601946      3.581470
  H      -4.743057      0.437885      2.673622
99
Coordinates from ORCA-job orca E -6478.916308463480
  N      -4.519671      3.815466      5.156769
  Mo     -3.951103      1.929564      4.868730
  N      -4.546065      0.928773      6.423942
  C      -3.708212      1.021456      7.630072
  C      -3.084671      2.407335      7.710015
  N      -2.473162      2.746913      6.393535
  C      -2.369340      4.213129      6.189932
  C      -3.735840      4.805358      5.871877
  C      -1.149182      2.105288      6.186641
  C      -1.062674      1.698815      4.711213
  N      -2.290465      0.968167      4.422112
  H      -3.590041      5.709821      5.251372
  H      -4.250284      5.143695      6.795420
  H      -1.714872      4.354529      5.316101
  H      -1.890461      4.692459      7.064299
  H      -0.164519      1.082568      4.531163
  H      -0.975594      2.587545      4.066700
  H      -1.090314      1.209955      6.819670
  H      -0.340203      2.791539      6.493488
  H      -4.299479      0.836137      8.545211
  H      -2.911457      0.251743      7.615144
  H      -3.874739      3.147725      7.895027
  H      -2.336535      2.477485      8.520747
  C      -5.608224      4.370818      4.349550
  C      -6.877164      4.684879      5.150523
  C      -7.557139      3.392936      5.580337
  O      -7.743134      2.546139      4.413976
  C      -8.907824      2.649373      3.725578
  N     -10.055305      2.783134      4.391154
  C     -11.191026      2.717426      3.659701
  N     -11.299800      2.500591      2.353363
  C     -10.119216      2.405468      1.656397
  C     -10.119949      2.150725      0.266609
  C      -8.902112      2.090333     -0.403375
  C      -7.714668      2.326776      0.303242
  N      -7.652933      2.522686      1.626016
  C      -8.846362      2.531876      2.300972
  C      -2.169931     -0.484559      4.519639
  C      -1.625841     -1.144384      3.228440
  C      -2.630023     -2.079559      2.550510
  O      -2.474911     -2.057457      1.108280
  C      -3.202333     -1.173591      0.415125
  N      -4.031561     -0.337363      1.034923
  C      -4.846462      0.394449      0.253120
  N      -4.898827      0.442082     -1.067348
  C      -4.013057     -0.374905     -1.719811
  C      -3.991937     -0.431384     -3.132973
  C      -3.104444     -1.295478     -3.761308
  C      -2.261718     -2.091391     -2.971656
  N      -2.254273     -2.081440     -1.634233
  C      -3.115719     -1.226896     -1.016282
  C      -5.780686      0.176493      6.632499
  C      -5.556541     -1.329827      6.920686
  C      -6.574042     -2.254560      6.280527
  O      -6.310846     -2.380722      4.855882
  C      -7.184658     -1.861632      3.977690
  N      -8.188046     -1.089084      4.372714
  C      -8.990735     -0.562682      3.404702
  N      -8.871919     -0.700988      2.092236
  C      -7.845132     -1.505654      1.668494
  C      -7.620887     -1.703894      0.279159
  C      -6.592454     -2.543711     -0.111126
  C      -5.792432     -3.164835      0.881092
  N      -5.939101     -2.976716      2.199155
  C      -6.954143     -2.156379      2.584083
  H      -5.244050      5.261702      3.805071
  H      -5.909945      3.650879      3.577044
  H      -6.657929      5.283922      6.050333
  H      -7.560876      5.275542      4.519893
  H      -8.522159      3.564930      6.076707
  H      -6.903297      2.811731      6.244146
  H     -12.126625      2.829343      4.226136
  H     -11.074722      1.997397     -0.233307
  H      -8.844206      1.852258     -1.464998
  H      -6.771020      2.360529     -0.254110
  H      -1.504180     -0.735218      5.366117
  H      -3.156547     -0.903867      4.765912
  H      -0.711314     -1.707385      3.463279
  H      -1.333420     -0.359719      2.518070
  H      -3.672528     -1.853483      2.810440
  H      -2.440120     -3.127881      2.805613
  H      -5.572226      0.984766      0.822839
  H      -4.682893      0.194981     -3.687390
  H      -3.055658     -1.370868     -4.853599
  H      -1.561341     -2.781221     -3.456731
  H      -6.422828      0.297200      5.752287
  H      -6.340266      0.617629      7.481697
  H      -4.548799     -1.611106      6.582376
  H      -5.590367     -1.524506      8.004265
  H      -7.598261     -1.893309      6.422865
  H      -6.486648     -3.274836      6.672516
  H      -9.811753      0.072697      3.768803
  H      -8.245079     -1.158367     -0.438099
  H      -6.369554     -2.715014     -1.174051
  H      -4.968940     -3.820380      0.576690
  N      -5.275735      1.107910      3.270423
  H      -5.625045      1.872111      2.649197
  H      -6.140262      0.627877      3.567901
  H      -4.718138      0.474340      2.620912
99
Coordinates from ORCA-job orca E -6478.914891889790
  N      -4.527083      3.827492      5.162218
  Mo     -3.958241      1.936087      4.892462
  N      -4.547195      0.927524      6.446133
  C      -3.706837      1.015187      7.654024
  C      -3.081895      2.400164      7.732434
  N      -2.476471      2.744670      6.414096
  C      -2.391244      4.221187      6.220520
  C      -3.756228      4.810065      5.899789
  C      -1.151068      2.103554      6.204320
  C      -1.063277      1.713585      4.726501
  N      -2.289152      0.983574      4.420461
  H      -3.608578      5.726034      5.295576
  H      -4.281592      5.131905      6.822600
  H      -1.735503      4.376869      5.350253
  H      -1.920792      4.699833      7.099232
  H      -0.163084      1.102057      4.540195
  H      -0.976700      2.612495      4.094424
  H      -1.095153      1.199838      6.827900
  H      -0.341096      2.784347      6.520305
  H      -4.297075      0.832361      8.570807
  H      -2.912247      0.243122      7.638271
  H      -3.873069      3.138187      7.921266
  H      -2.331108      2.472115      8.540413
  C      -5.615467      4.396644      4.367966
  C      -6.889289      4.699429      5.169959
  C      -7.581766      3.408795      5.586157
  O      -7.771237      2.573523      4.413816
  C      -8.925895      2.693104      3.712652
  N     -10.065883      2.870985      4.355644
  C     -11.189283      2.827348      3.609631
  N     -11.294969      2.591705      2.310191
  C     -10.120806      2.452553      1.634054
  C     -10.119224      2.178004      0.246139
  C      -8.906389      2.083101     -0.410063
  C      -7.726038      2.304464      0.308389
  N      -7.668122      2.511343      1.633015
  C      -8.858710      2.555245      2.293197
  C      -2.154175     -0.473463      4.503758
  C      -1.596720     -1.132544      3.211744
  C      -2.579426     -2.090831      2.529678
  O      -2.414584     -2.079423      1.088353
  C      -3.167841     -1.205146      0.395023
  N      -4.025995     -0.375943      1.022685
  C      -4.885157      0.354945      0.256784
  N      -4.958946      0.403346     -1.057999
  C      -4.043364     -0.405936     -1.725919
  C      -4.042400     -0.461083     -3.137577
  C      -3.126156     -1.319937     -3.777623
  C      -2.232533     -2.110757     -3.000859
  N      -2.204470     -2.100978     -1.667272
  C      -3.093899     -1.253333     -1.037280
  C      -5.776686      0.167003      6.642294
  C      -5.529696     -1.336418      6.921010
  C      -6.531073     -2.268476      6.265361
  O      -6.264140     -2.387638      4.836432
  C      -7.142486     -1.862841      3.959561
  N      -8.143278     -1.083544      4.368080
  C      -8.960057     -0.561829      3.413502
  N      -8.857439     -0.715163      2.104219
  C      -7.837326     -1.524169      1.664540
  C      -7.639946     -1.738599      0.278443
  C      -6.619828     -2.587979     -0.124813
  C      -5.804577     -3.192975      0.846523
  N      -5.928892     -2.990097      2.159810
  C      -6.932920     -2.165452      2.561407
  H      -5.250829      5.303408      3.847434
  H      -5.909099      3.693011      3.575872
  H      -6.669909      5.288301      6.075986
  H      -7.572513      5.300377      4.547558
  H      -8.550093      3.586062      6.076087
  H      -6.936726      2.817881      6.250130
  H     -12.117568      2.979061      4.157194
  H     -11.069256      2.040881     -0.264148
  H      -8.845520      1.831155     -1.473424
  H      -6.784872      2.316403     -0.239873
  H      -1.485661     -0.722916      5.349253
  H      -3.139527     -0.903579      4.747867
  H      -0.671917     -1.680608      3.449805
  H      -1.316307     -0.342321      2.499505
  H      -3.629501     -1.877103      2.781226
  H      -2.373685     -3.139220      2.793800
  H      -5.622678      0.941547      0.829890
  H      -4.771564      0.160572     -3.685243
  H      -3.094033     -1.395682     -4.866418
  H      -1.512339     -2.795230     -3.495528
  H      -6.410460      0.282435      5.753767
  H      -6.352533      0.598202      7.486643
  H      -4.515395     -1.603751      6.582915
  H      -5.562582     -1.539575      8.003127
  H      -7.564244     -1.921396      6.406170
  H      -6.427755     -3.290683      6.652323
  H      -9.778700      0.084395      3.788786
  H      -8.276591     -1.202445     -0.423276
  H      -6.418254     -2.774011     -1.180840
  H      -4.988817     -3.853819      0.532527
  N      -5.297464      1.104994      3.308432
  H      -5.658749      1.832132      2.704399
  H      -6.126875      0.636942      3.578516
  H      -4.779340      0.498479      2.681415
99
Coordinates from ORCA-job orca E -6478.917408741464
  N      -4.518289      3.818414      5.151220
  Mo     -3.934537      1.933553      4.908667
  N      -4.532376      0.919910      6.457367
  C      -3.709356      1.009582      7.672797
  C      -3.092319      2.398209      7.757360
  N      -2.476724      2.750528      6.444960
  C      -2.387581      4.220245      6.248229
  C      -3.761035      4.798661      5.911049
  C      -1.141743      2.119772      6.237617
  C      -1.039019      1.738107      4.753178
  N      -2.256412      0.999055      4.431645
  H      -3.614016      5.719787      5.314540
  H      -4.298848      5.110443      6.828097
  H      -1.719936      4.380027      5.390627
  H      -1.930183      4.700251      7.130625
  H      -0.132061      1.135451      4.568949
  H      -0.955779      2.643587      4.128294
  H      -1.084165      1.211964      6.857150
  H      -0.337809      2.804403      6.563636
  H      -4.309642      0.826710      8.583722
  H      -2.913316      0.239370      7.666780
  H      -3.887885      3.133542      7.939882
  H      -2.350713      2.471670      8.573731
  C      -5.607880      4.387475      4.357958
  C      -6.904401      4.665021      5.137918
  C      -7.613704      3.371824      5.541012
  O      -7.787224      2.537271      4.369982
  C      -8.930115      2.669343      3.657506
  N     -10.070604      2.872410      4.277901
  C     -11.183974      2.851230      3.512776
  N     -11.282132      2.620005      2.217823
  C     -10.106048      2.457887      1.564378
  C     -10.099071      2.193437      0.175704
  C      -8.884191      2.082377     -0.461513
  C      -7.704612      2.275375      0.279867
  N      -7.656179      2.468751      1.606026
  C      -8.850497      2.530988      2.243436
  C      -2.112006     -0.458974      4.516310
  C      -1.570098     -1.112647      3.215621
  C      -2.561394     -2.081446      2.546505
  O      -2.430188     -2.077455      1.101845
  C      -3.194767     -1.212925      0.413250
  N      -4.026570     -0.390854      1.039748
  C      -4.880191      0.341816      0.278144
  N      -4.965448      0.397054     -1.031891
  C      -4.079817     -0.407525     -1.700076
  C      -4.092382     -0.454216     -3.108399
  C      -3.222523     -1.313240     -3.740929
  C      -2.352692     -2.108609     -2.964354
  N      -2.299867     -2.101707     -1.638627
  C      -3.148093     -1.257976     -1.014407
  C      -5.754517      0.152648      6.635485
  C      -5.486077     -1.343980      6.909634
  C      -6.478036     -2.270449      6.234028
  O      -6.210570     -2.377081      4.801111
  C      -7.099493     -1.850686      3.946445
  N      -8.084080     -1.102212      4.389996
  C      -8.920438     -0.588186      3.473267
  N      -8.856558     -0.724958      2.171490
  C      -7.849855     -1.500247      1.696788
  C      -7.692301     -1.700625      0.315841
  C      -6.685733     -2.532489     -0.118812
  C      -5.846119     -3.122747      0.811824
  N      -5.932748     -2.928567      2.117139
  C      -6.923466     -2.128808      2.549872
  H      -5.244969      5.309280      3.858700
  H      -5.879786      3.694194      3.548392
  H      -6.702380      5.250159      6.048704
  H      -7.581880      5.263636      4.505781
  H      -8.589329      3.552374      6.008539
  H      -6.986630      2.777063      6.217994
  H     -12.113677      3.023699      4.041516
  H     -11.049472      2.079572     -0.351153
  H      -8.819259      1.841247     -1.528292
  H      -6.756906      2.272518     -0.249221
  H      -1.440635     -0.706091      5.361955
  H      -3.094491     -0.897579      4.761766
  H      -0.635478     -1.654299      3.433828
  H      -1.311781     -0.314843      2.502932
  H      -3.609204     -1.875146      2.810257
  H      -2.341508     -3.126820      2.815870
  H      -5.602287      0.920897      0.849098
  H      -4.799955      0.173676     -3.660198
  H      -3.205302     -1.387514     -4.823129
  H      -1.668610     -2.791991     -3.455299
  H      -6.378117      0.261013      5.735743
  H      -6.349342      0.576984      7.471924
  H      -4.466159     -1.601197      6.575664
  H      -5.518787     -1.556023      7.990748
  H      -7.515554     -1.929702      6.374952
  H      -6.368852     -3.298129      6.612041
  H      -9.717772      0.030614      3.877250
  H      -8.348254     -1.177981     -0.356140
  H      -6.519458     -2.718248     -1.166793
  H      -5.043889     -3.774095      0.472147
  N      -5.258497      1.061466      3.337094
  H      -5.639585      1.812871      2.720176
  H      -6.106885      0.561984      3.651117
  H      -4.708035      0.440014      2.714982
99
Coordinates from ORCA-job orca E -6478.919510537631
  N      -4.509078      3.825132      5.125959
  Mo     -3.939722      1.935593      4.893625
  N      -4.543795      0.931597      6.446977
  C      -3.712617      1.019995      7.655243
  C      -3.081062      2.401723      7.730374
  N      -2.470382      2.746062      6.413877
  C      -2.379575      4.212808      6.228464
  C      -3.749853      4.793322      5.898451
  C      -1.144037      2.110964      6.201352
  C      -1.048367      1.727763      4.717890
  N      -2.270744      0.997802      4.401804
  H      -3.600149      5.720411      5.313046
  H      -4.286511      5.096334      6.821094
  H      -1.712435      4.376526      5.369137
  H      -1.918648      4.687804      7.113433
  H      -0.145348      1.120730      4.532987
  H      -0.962222      2.628769      4.090977
  H      -1.093218      1.203428      6.817619
  H      -0.335138      2.788770      6.526551
  H      -4.309440      0.850759      8.569750
  H      -2.926557      0.240462      7.648929
  H      -3.869337      3.144652      7.914551
  H      -2.334413      2.472271      8.541937
  C      -5.599972      4.403268      4.344705
  C      -6.875917      4.659667      5.155534
  C      -7.535323      3.340058      5.540329
  O      -7.713120      2.530604      4.346980
  C      -8.880058      2.635149      3.671289
  N     -10.028592      2.791297      4.343059
  C     -11.170909      2.744012      3.616024
  N     -11.284879      2.527317      2.311733
  C     -10.101873      2.410806      1.607751
  C     -10.109393      2.167825      0.218379
  C      -8.890245      2.104338     -0.457508
  C      -7.691953      2.315650      0.246642
  N      -7.626889      2.492791      1.568678
  C      -8.822483      2.513323      2.245051
  C      -2.155034     -0.454392      4.492118
  C      -1.622677     -1.108551      3.195300
  C      -2.644663     -2.045437      2.548633
  O      -2.523818     -2.043163      1.104494
  C      -3.249716     -1.163635      0.417915
  N      -4.047502     -0.311253      1.037147
  C      -4.837679      0.434743      0.255594
  N      -4.899897      0.472065     -1.063844
  C      -4.047640     -0.368156     -1.714746
  C      -4.031912     -0.433626     -3.126534
  C      -3.170134     -1.315438     -3.749065
  C      -2.348479     -2.119620     -2.959028
  N      -2.336836     -2.100946     -1.624418
  C      -3.173665     -1.230121     -1.011645
  C      -5.772811      0.168219      6.640519
  C      -5.541689     -1.336275      6.924456
  C      -6.559701     -2.271063      6.292161
  O      -6.312953     -2.399702      4.863171
  C      -7.182440     -1.877931      3.987819
  N      -8.181572     -1.108559      4.379354
  C      -8.979734     -0.581074      3.408748
  N      -8.861557     -0.706420      2.099870
  C      -7.833103     -1.507512      1.680944
  C      -7.601447     -1.698331      0.294017
  C      -6.577360     -2.549023     -0.086921
  C      -5.793134     -3.191372      0.913246
  N      -5.946751     -3.007566      2.227587
  C      -6.950889     -2.172429      2.601155
  H      -5.246721      5.330596      3.856326
  H      -5.875942      3.720875      3.531176
  H      -6.666449      5.225930      6.078379
  H      -7.571824      5.264588      4.551589
  H      -8.500000      3.480607      6.043182
  H      -6.868634      2.744818      6.179733
  H     -12.108042      2.878386      4.187927
  H     -11.070679      2.033555     -0.279904
  H      -8.839700      1.886148     -1.520475
  H      -6.743043      2.340330     -0.309453
  H      -1.495176     -0.715370      5.339652
  H      -3.142486     -0.873486      4.732978
  H      -0.699259     -1.664541      3.405829
  H      -1.355287     -0.321496      2.478621
  H      -3.674438     -1.796101      2.828321
  H      -2.463163     -3.090115      2.815673
  H      -5.530350      1.059724      0.811228
  H      -4.703784      0.202527     -3.684402
  H      -3.123971     -1.399462     -4.839683
  H      -1.663879     -2.823086     -3.441801
  H      -6.402835      0.283335      5.750992
  H      -6.350139      0.602641      7.480473
  H      -4.537583     -1.614445      6.575374
  H      -5.561983     -1.532407      8.009128
  H      -7.586676     -1.926246      6.449174
  H      -6.449796     -3.291987      6.682972
  H      -9.799408      0.030902      3.767140
  H      -8.218575     -1.145424     -0.433489
  H      -6.350611     -2.717669     -1.148822
  H      -4.980475     -3.863295      0.615868
  N      -5.266511      1.083324      3.305583
  H      -5.646886      1.829114      2.679301
  H      -6.123690      0.582597      3.633788
  H      -4.716088      0.455059      2.663592
99
Coordinates from ORCA-job orca E -6478.924683549157
  N      -4.515853      3.841367      5.129663
  Mo     -3.946778      1.944609      4.920567
  N      -4.548738      0.924367      6.467873
  C      -3.719009      1.007792      7.681326
  C      -3.091270      2.390909      7.763651
  N      -2.485707      2.746295      6.448036
  C      -2.404160      4.222285      6.266390
  C      -3.771774      4.800853      5.929105
  C      -1.155737      2.116007      6.233198
  C      -1.051817      1.758027      4.745203
  N      -2.267211      1.025379      4.401286
  H      -3.618229      5.739886      5.362014
  H      -4.322749      5.086803      6.849189
  H      -1.730153      4.395185      5.412144
  H      -1.953963      4.697786      7.157284
  H      -0.143179      1.160677      4.554540
  H      -0.966523      2.672998      4.136058
  H      -1.105796      1.198818      6.837055
  H      -0.349485      2.790620      6.572723
  H      -4.318174      0.834710      8.594884
  H      -2.931033      0.229330      7.674627
  H      -3.882543      3.128767      7.954445
  H      -2.342894      2.461450      8.574155
  C      -5.606863      4.436356      4.361555
  C      -6.885305      4.680059      5.175211
  C      -7.548671      3.362882      5.548437
  O      -7.725980      2.569726      4.346148
  C      -8.886161      2.690042      3.661683
  N     -10.023651      2.889065      4.316885
  C     -11.158506      2.860172      3.581316
  N     -11.277279      2.622280      2.282951
  C     -10.103968      2.462717      1.593314
  C     -10.116241      2.197742      0.204611
  C      -8.905357      2.100265     -0.465114
  C      -7.711344      2.298904      0.244034
  N      -7.642107      2.489266      1.568466
  C      -8.831174      2.545056      2.239028
  C      -2.128654     -0.429581      4.474711
  C      -1.590528     -1.076982      3.171819
  C      -2.586296     -2.049523      2.531767
  O      -2.463325     -2.062666      1.087447
  C      -3.218971     -1.198879      0.394277
  N      -4.051286     -0.353735      1.015047
  C      -4.879286      0.386057      0.239294
  N      -4.946543      0.420515     -1.079521
  C      -4.065110     -0.412816     -1.736727
  C      -4.062219     -0.480821     -3.148516
  C      -3.188282     -1.363620     -3.775982
  C      -2.334336     -2.163472     -2.988610
  N      -2.302337     -2.137983     -1.655082
  C      -3.153928     -1.268175     -1.037431
  C      -5.770207      0.144852      6.648210
  C      -5.515594     -1.358108      6.922929
  C      -6.520914     -2.296778      6.278623
  O      -6.267795     -2.414545      4.848222
  C      -7.142278     -1.884682      3.975470
  N      -8.140545     -1.107103      4.383773
  C      -8.954710     -0.580813      3.425813
  N      -8.849626     -0.721177      2.115704
  C      -7.827185     -1.525825      1.676327
  C      -7.622658     -1.729983      0.288103
  C      -6.607125     -2.585308     -0.113191
  C      -5.804790     -3.213458      0.866057
  N      -5.935745     -3.018920      2.181747
  C      -6.930699     -2.182257      2.578869
  H      -5.253253      5.378596      3.900130
  H      -5.876994      3.774753      3.525770
  H      -6.674685      5.238662      6.102397
  H      -7.583795      5.291004      4.581298
  H      -8.517082      3.502841      6.046988
  H      -6.887730      2.761170      6.186248
  H     -12.084451      3.033107      4.139314
  H     -11.074428      2.077784     -0.298597
  H      -8.857452      1.867510     -1.530902
  H      -6.768648      2.301875     -0.310196
  H      -1.459083     -0.685960      5.316696
  H      -3.109946     -0.866082      4.719973
  H      -0.648582     -1.608098      3.375442
  H      -1.351765     -0.281497      2.451766
  H      -3.626687     -1.824593      2.806208
  H      -2.374926     -3.090216      2.812714
  H      -5.596703      1.004536      0.795604
  H      -4.757059      0.150103     -3.705385
  H      -3.160027     -1.451743     -4.864916
  H      -1.648627     -2.867655     -3.473544
  H      -6.392351      0.253593      5.751432
  H      -6.364629      0.567139      7.483853
  H      -4.505966     -1.622140      6.571781
  H      -5.532344     -1.562814      8.005205
  H      -7.553881     -1.960895      6.434922
  H      -6.402400     -3.319229      6.661548
  H      -9.775146      0.048532      3.799318
  H      -8.254526     -1.188827     -0.419827
  H      -6.403167     -2.767251     -1.173603
  H      -5.000107     -3.889237      0.554306
  N      -5.277865      1.080687      3.337081
  H      -5.673481      1.810313      2.735480
  H      -6.106029      0.568862      3.648200
  H      -4.732958      0.464648      2.696891
99
Coordinates from ORCA-job orca E -6478.927188340195
  N      -4.503853      3.845751      5.116078
  Mo     -3.932612      1.947424      4.944069
  N      -4.539237      0.922275      6.487811
  C      -3.718990      1.003791      7.706380
  C      -3.090840      2.386171      7.789961
  N      -2.484758      2.746217      6.475501
  C      -2.409838      4.222637      6.299551
  C      -3.781433      4.792639      5.952406
  C      -1.150869      2.120456      6.258010
  C      -1.037597      1.780048      4.764400
  N      -2.247229      1.046317      4.398210
  H      -3.628483      5.745732      5.409684
  H      -4.348739      5.052943      6.868491
  H      -1.728622      4.405982      5.455066
  H      -1.972418      4.696704      7.196334
  H      -0.124290      1.190450      4.571195
  H      -0.953215      2.704210      4.168778
  H      -1.104039      1.195064      6.850612
  H      -0.346570      2.790859      6.611141
  H      -4.324843      0.835232      8.616582
  H      -2.933843      0.222628      7.707289
  H      -3.882794      3.123768      7.981383
  H      -2.343904      2.456307      8.601596
  C      -5.596788      4.447193      4.358065
  C      -6.891010      4.657917      5.159001
  C      -7.560411      3.332167      5.507772
  O      -7.734731      2.552967      4.296477
  C      -8.891646      2.683089      3.611481
  N     -10.024305      2.909233      4.256443
  C     -11.155136      2.900855      3.514284
  N     -11.275187      2.664733      2.219813
  C     -10.105759      2.479100      1.540047
  C     -10.118989      2.228135      0.150962
  C      -8.910722      2.113650     -0.511837
  C      -7.717544      2.273019      0.206188
  N      -7.649973      2.447867      1.531511
  C      -8.837099      2.528744      2.192250
  C      -2.105206     -0.410102      4.462163
  C      -1.586539     -1.052965      3.148353
  C      -2.586151     -2.041848      2.532747
  O      -2.490360     -2.073207      1.087154
  C      -3.256765     -1.219105      0.396081
  N      -4.071220     -0.372055      1.017099
  C      -4.888544      0.375604      0.243816
  N      -4.964482      0.410495     -1.072044
  C      -4.102706     -0.427766     -1.731531
  C      -4.095120     -0.489139     -3.144322
  C      -3.216441     -1.367904     -3.774353
  C      -2.367068     -2.171844     -2.988694
  N      -2.344513     -2.152889     -1.655769
  C      -3.199028     -1.288150     -1.035464
  C      -5.752123      0.132085      6.651197
  C      -5.475979     -1.365521      6.923408
  C      -6.477492     -2.311525      6.281989
  O      -6.239868     -2.430091      4.846148
  C      -7.121639     -1.897974      3.986458
  N      -8.110204     -1.131071      4.412208
  C      -8.930642     -0.599133      3.472129
  N      -8.841014     -0.720414      2.164376
  C      -7.827929     -1.515410      1.708802
  C      -7.641720     -1.704812      0.322184
  C      -6.639820     -2.561856     -0.094040
  C      -5.835811     -3.204378      0.866275
  N      -5.948192     -3.021077      2.178754
  C      -6.927848     -2.182592      2.590509
  H      -5.247914      5.408567      3.930951
  H      -5.844140      3.808395      3.498262
  H      -6.693806      5.202051      6.096730
  H      -7.588122      5.273855      4.567215
  H      -8.531525      3.468183      6.000110
  H      -6.905016      2.719017      6.141361
  H     -12.078141      3.095012      4.064815
  H     -11.076956      2.137341     -0.358315
  H      -8.862790      1.899533     -1.580080
  H      -6.774288      2.254878     -0.340082
  H      -1.430115     -0.672677      5.298618
  H      -3.085175     -0.849294      4.711832
  H      -0.631344     -1.570189      3.328001
  H      -1.380521     -0.253017      2.422883
  H      -3.623801     -1.818834      2.818769
  H      -2.363085     -3.077624      2.825608
  H      -5.588988      1.000556      0.796658
  H      -4.780219      0.148063     -3.703413
  H      -3.175776     -1.449093     -4.863030
  H      -1.667149     -2.868531     -3.478432
  H      -6.365163      0.233907      5.745575
  H      -6.364038      0.544517      7.480029
  H      -4.466928     -1.619967      6.563515
  H      -5.479095     -1.571820      8.006629
  H      -7.512913     -1.986583      6.448504
  H      -6.342962     -3.335135      6.662764
  H      -9.742562      0.019118      3.858601
  H      -8.277003     -1.155461     -0.374289
  H      -6.453639     -2.737094     -1.151028
  H      -5.046701     -3.886933      0.541745
  N      -5.256892      1.070058      3.362611
  H      -5.675119      1.795695      2.756982
  H      -6.063731      0.550570      3.687595
  H      -4.714772      0.468446      2.730377
99
Coordinates from ORCA-job orca E -6478.929523390758
  N      -4.491013      3.858121      5.103908
  Mo     -3.925755      1.954466      4.967536
  N      -4.546745      0.921577      6.504551
  C      -3.735374      0.996918      7.728755
  C      -3.102895      2.376738      7.819192
  N      -2.493830      2.742543      6.506805
  C      -2.421788      4.220032      6.340720
  C      -3.790484      4.787589      5.980250
  C      -1.159028      2.118630      6.290996
  C      -1.031546      1.801841      4.793557
  N      -2.234964      1.071663      4.397749
  H      -3.632995      5.755555      5.465564
  H      -4.376809      5.022037      6.892265
  H      -1.729371      4.413417      5.507938
  H      -1.999091      4.689241      7.247635
  H      -0.113410      1.218766      4.601283
  H      -0.942846      2.735602      4.213843
  H      -1.121187      1.183586      6.869490
  H      -0.356410      2.781702      6.662883
  H      -4.349537      0.831636      8.634468
  H      -2.954504      0.211443      7.735466
  H      -3.894199      3.114942      8.012860
  H      -2.357281      2.442609      8.633088
  C      -5.583840      4.476403      4.357363
  C      -6.879323      4.655848      5.163110
  C      -7.528159      3.315435      5.483745
  O      -7.700406      2.567899      4.249606
  C      -8.863507      2.691857      3.575818
  N      -9.998743      2.918672      4.226572
  C     -11.137714      2.903215      3.489651
  N     -11.263463      2.658879      2.195407
  C     -10.090868      2.470800      1.509937
  C     -10.110493      2.211419      0.120714
  C      -8.901666      2.097223     -0.547366
  C      -7.699147      2.261720      0.166308
  N      -7.625638      2.442870      1.490983
  C      -8.813998      2.526715      2.155581
  C      -2.098413     -0.385142      4.444020
  C      -1.576038     -1.012364      3.124453
  C      -2.569257     -2.010943      2.518011
  O      -2.475380     -2.051131      1.072607
  C      -3.237490     -1.198918      0.382514
  N      -4.042244     -0.343531      1.003662
  C      -4.861147      0.405108      0.229967
  N      -4.954869      0.426999     -1.085023
  C      -4.109203     -0.426252     -1.742020
  C      -4.137820     -0.508334     -3.148984
  C      -3.294993     -1.407059     -3.772445
  C      -2.436736     -2.207543     -2.988383
  N      -2.377194     -2.167970     -1.660839
  C      -3.200617     -1.284967     -1.046925
  C      -5.753439      0.119517      6.655118
  C      -5.468420     -1.375386      6.914603
  C      -6.469654     -2.320126      6.278416
  O      -6.237597     -2.425049      4.844627
  C      -7.119706     -1.886332      3.993778
  N      -8.106460     -1.123647      4.423875
  C      -8.931411     -0.596689      3.485621
  N      -8.847231     -0.722828      2.177457
  C      -7.834612     -1.517443      1.718760
  C      -7.654232     -1.723527      0.333103
  C      -6.654319     -2.577453     -0.084366
  C      -5.846034     -3.203963      0.873338
  N      -5.954880     -3.010416      2.184424
  C      -6.931367     -2.172501      2.597395
  H      -5.241281      5.453963      3.965206
  H      -5.820056      3.862888      3.476864
  H      -6.685409      5.180408      6.113638
  H      -7.584844      5.278213      4.588055
  H      -8.496057      3.427516      5.988321
  H      -6.858009      2.693748      6.094388
  H     -12.063166      3.099203      4.046142
  H     -11.074983      2.114669     -0.385619
  H      -8.860156      1.880520     -1.617191
  H      -6.754881      2.237569     -0.383555
  H      -1.430219     -0.660952      5.281810
  H      -3.080297     -0.826497      4.682442
  H      -0.612583     -1.516077      3.292260
  H      -1.389525     -0.206654      2.400434
  H      -3.605669     -1.786181      2.804650
  H      -2.344949     -3.042653      2.817544
  H      -5.556654      1.047386      0.781677
  H      -4.833130      0.127109     -3.707515
  H      -3.290029     -1.507913     -4.855907
  H      -1.769609     -2.922107     -3.473124
  H      -6.361910      0.222677      5.748143
  H      -6.375063      0.517921      7.482284
  H      -4.461819     -1.620924      6.542562
  H      -5.461096     -1.589368      7.994982
  H      -7.506230     -2.005971      6.455380
  H      -6.324538     -3.343814      6.647798
  H      -9.745379      0.019670      3.875040
  H      -8.295239     -1.191332     -0.361679
  H      -6.473413     -2.764596     -1.142161
  H      -5.057783     -3.884695      0.548156
  N      -5.238537      1.073701      3.370887
  H      -5.669104      1.790793      2.765467
  H      -6.042493      0.533155      3.715212
  H      -4.690227      0.470047      2.729104
99
Coordinates from ORCA-job orca E -6478.931665388116
  N      -4.490168      3.864406      5.084017
  Mo     -3.929745      1.956324      4.983587
  N      -4.555042      0.918935      6.519978
  C      -3.747184      0.996813      7.745828
  C      -3.114045      2.376650      7.833949
  N      -2.511188      2.742980      6.520424
  C      -2.443607      4.221514      6.355481
  C      -3.810104      4.783363      5.988625
  C      -1.174962      2.121667      6.302545
  C      -1.038758      1.823050      4.804297
  N      -2.234114      1.094019      4.385773
  H      -3.653672      5.762898      5.495809
  H      -4.409863      4.995626      6.898865
  H      -1.746193      4.419268      5.527993
  H      -2.032434      4.693367      7.266980
  H      -0.115470      1.248650      4.611193
  H      -0.950876      2.763874      4.238656
  H      -1.140584      1.180664      6.869108
  H      -0.375078      2.780044      6.685757
  H      -4.363992      0.836478      8.649938
  H      -2.967957      0.210071      7.757545
  H      -3.905175      3.113760      8.032458
  H      -2.365846      2.443283      8.644068
  C      -5.586065      4.488835      4.352372
  C      -6.880340      4.643122      5.166958
  C      -7.514818      3.295243      5.474207
  O      -7.692624      2.568600      4.228352
  C      -8.855482      2.714768      3.562391
  N      -9.970690      2.995076      4.216193
  C     -11.107650      3.021177      3.486337
  N     -11.248845      2.775026      2.194762
  C     -10.094816      2.531095      1.504476
  C     -10.129123      2.270744      0.115646
  C      -8.933461      2.104010     -0.559086
  C      -7.729232      2.215955      0.148551
  N      -7.645419      2.395905      1.471866
  C      -8.821486      2.534409      2.142292
  C      -2.091365     -0.361008      4.415259
  C      -1.576596     -0.975585      3.087803
  C      -2.559061     -1.998327      2.505401
  O      -2.482962     -2.052785      1.059795
  C      -3.252812     -1.206955      0.371734
  N      -4.057959     -0.349398      0.995760
  C      -4.872635      0.402882      0.223677
  N      -4.955515      0.423466     -1.095574
  C      -4.112004     -0.435060     -1.755392
  C      -4.128824     -0.515853     -3.166448
  C      -3.294177     -1.418902     -3.792079
  C      -2.456865     -2.226590     -3.006165
  N      -2.403494     -2.185988     -1.676083
  C      -3.217414     -1.298008     -1.060064
  C      -5.751990      0.100665      6.665578
  C      -5.457731     -1.394570      6.927567
  C      -6.462384     -2.348352      6.304163
  O      -6.236814     -2.466683      4.868227
  C      -7.114027     -1.927103      4.010175
  N      -8.099376     -1.150077      4.432136
  C      -8.914626     -0.615847      3.485024
  N      -8.821821     -0.741786      2.175614
  C      -7.809105     -1.547441      1.724142
  C      -7.616542     -1.743444      0.335832
  C      -6.618397     -2.606316     -0.075575
  C      -5.825789     -3.256040      0.892788
  N      -5.945854     -3.070380      2.207283
  C      -6.918085     -2.218967      2.613032
  H      -5.254991      5.479502      3.985871
  H      -5.812060      3.892525      3.457086
  H      -6.685195      5.157747      6.122536
  H      -7.595916      5.265951      4.607247
  H      -8.480309      3.394674      5.986538
  H      -6.835572      2.669586      6.069317
  H     -12.013179      3.264244      4.045789
  H     -11.091371      2.217526     -0.385502
  H      -8.902651      1.888953     -1.629879
  H      -6.791081      2.150376     -0.405358
  H      -1.417081     -0.640825      5.245981
  H      -3.068570     -0.811307      4.655938
  H      -0.598637     -1.456384      3.234302
  H      -1.425820     -0.164825      2.361603
  H      -3.595139     -1.783388      2.800833
  H      -2.315132     -3.022336      2.815456
  H      -5.554380      1.057456      0.775887
  H      -4.809448      0.124452     -3.723628
  H      -3.282907     -1.518731     -4.879212
  H      -1.803079     -2.947206     -3.489954
  H      -6.356557      0.196111      5.755537
  H      -6.383328      0.491611      7.489584
  H      -4.454012     -1.638735      6.545575
  H      -5.438827     -1.602530      8.009846
  H      -7.498494     -2.032682      6.485309
  H      -6.313545     -3.370390      6.681413
  H      -9.729640      0.008810      3.868164
  H      -8.248039     -1.195372     -0.367675
  H      -6.427232     -2.781796     -1.137868
  H      -5.040790     -3.945966      0.572267
  N      -5.235206      1.073070      3.379890
  H      -5.684926      1.782636      2.780450
  H      -6.032324      0.510478      3.725835
  H      -4.677357      0.472692      2.735712
99
Coordinates from ORCA-job orca E -6478.933451657798
  N      -4.463520      3.882988      5.069777
  Mo     -3.921450      1.965099      5.008801
  N      -4.566738      0.922792      6.539511
  C      -3.768873      0.995643      7.773621
  C      -3.127497      2.371871      7.868925
  N      -2.519890      2.738854      6.557536
  C      -2.442420      4.218832      6.391290
  C      -3.802051      4.786272      6.007055
  C      -1.183733      2.110753      6.344512
  C      -1.031799      1.834822      4.845131
  N      -2.221795      1.115309      4.392774
  H      -3.637565      5.777348      5.537905
  H      -4.420064      4.979236      6.910165
  H      -1.730532      4.414421      5.574399
  H      -2.045303      4.689329      7.309871
  H      -0.105528      1.262963      4.655889
  H      -0.934105      2.785985      4.296854
  H      -1.162653      1.161060      6.897866
  H      -0.383695      2.759100      6.746365
  H      -4.395592      0.838831      8.672228
  H      -2.993915      0.204322      7.792695
  H      -3.915237      3.112408      8.069859
  H      -2.379981      2.431378      8.680974
  C      -5.556040      4.523411      4.344113
  C      -6.856259      4.661534      5.154424
  C      -7.486597      3.308875      5.447168
  O      -7.662023      2.597269      4.194185
  C      -8.829335      2.732569      3.536662
  N      -9.945703      3.009441      4.199374
  C     -11.098725      3.016883      3.483832
  N     -11.256194      2.757370      2.196510
  C     -10.101285      2.518433      1.494958
  C     -10.156978      2.249783      0.106937
  C      -8.964677      2.090976     -0.582306
  C      -7.741155      2.212386      0.111133
  N      -7.638490      2.400782      1.432227
  C      -8.810604      2.537283      2.116783
  C      -2.081760     -0.340541      4.397898
  C      -1.580061     -0.940705      3.058049
  C      -2.551108     -1.983350      2.494873
  O      -2.491498     -2.052350      1.048413
  C      -3.276497     -1.215927      0.361298
  N      -4.073665     -0.353928      0.984000
  C      -4.890440      0.399884      0.213988
  N      -4.988754      0.412902     -1.102693
  C      -4.153869     -0.453583     -1.762597
  C      -4.169653     -0.536144     -3.174490
  C      -3.314764     -1.435697     -3.806740
  C      -2.465436     -2.241204     -3.024512
  N      -2.419154     -2.200119     -1.692418
  C      -3.250030     -1.314364     -1.070614
  C      -5.757941      0.092670      6.668752
  C      -5.452214     -1.402261      6.928473
  C      -6.454669     -2.361996      6.307374
  O      -6.229962     -2.482248      4.869999
  C      -7.104541     -1.935814      4.011286
  N      -8.089032     -1.152083      4.434339
  C      -8.903798     -0.610640      3.487743
  N      -8.812203     -0.735566      2.177361
  C      -7.801108     -1.547015      1.723240
  C      -7.614605     -1.747943      0.334605
  C      -6.621662     -2.624124     -0.079008
  C      -5.826921     -3.279598      0.888073
  N      -5.942513     -3.089509      2.202917
  C      -6.909953     -2.227621      2.611533
  H      -5.227789      5.525762      4.003742
  H      -5.773510      3.945404      3.433420
  H      -6.663216      5.168463      6.114112
  H      -7.574245      5.288350      4.601293
  H      -8.452354      3.396748      5.959811
  H      -6.803998      2.679794      6.033696
  H     -12.005031      3.253580      4.053059
  H     -11.133987      2.185082     -0.383147
  H      -8.952216      1.877264     -1.654121
  H      -6.804127      2.144250     -0.452217
  H      -1.402661     -0.634537      5.219877
  H      -3.058567     -0.792641      4.639045
  H      -0.588813     -1.401706      3.181788
  H      -1.464731     -0.122716      2.333010
  H      -3.586577     -1.780106      2.800380
  H      -2.287268     -3.000703      2.813053
  H      -5.552345      1.065034      0.762625
  H      -4.850482      0.105218     -3.728297
  H      -3.294068     -1.531866     -4.896696
  H      -1.787125     -2.956461     -3.514294
  H      -6.352948      0.185266      5.751129
  H      -6.404498      0.472832      7.487906
  H      -4.447977     -1.641507      6.539856
  H      -5.426789     -1.608145      8.011934
  H      -7.492524     -2.048272      6.489749
  H      -6.302462     -3.383400      6.686376
  H      -9.718649      0.013324      3.872676
  H      -8.250511     -1.200784     -0.366098
  H      -6.438205     -2.806952     -1.140596
  H      -5.046721     -3.980565      0.567258
  N      -5.218209      1.085410      3.392116
  H      -5.678320      1.782810      2.792720
  H      -5.998904      0.519192      3.733499
  H      -4.667493      0.481988      2.746881
99
Coordinates from ORCA-job orca E -6478.935249141885
  N      -4.451492      3.891750      5.066666
  Mo     -3.915629      1.972097      5.032915
  N      -4.566661      0.921786      6.558427
  C      -3.774179      0.991947      7.796866
  C      -3.133898      2.367969      7.899160
  N      -2.530342      2.740883      6.588682
  C      -2.457333      4.220781      6.428515
  C      -3.815517      4.780470      6.036018
  C      -1.191880      2.114134      6.374308
  C      -1.027461      1.860057      4.872864
  N      -2.210599      1.145051      4.394468
  H      -3.657471      5.783804      5.594447
  H      -4.447074      4.942815      6.934004
  H      -1.741017      4.423401      5.620537
  H      -2.073665      4.689330      7.353555
  H      -0.097043      1.294532      4.684477
  H      -0.926588      2.819769      4.340391
  H      -1.177345      1.155977      6.913096
  H      -0.394513      2.755425      6.792593
  H      -4.405544      0.833499      8.691944
  H      -2.999220      0.200735      7.818479
  H      -3.921219      3.106571      8.106973
  H      -2.384583      2.423637      8.709804
  C      -5.547249      4.533991      4.350555
  C      -6.853771      4.636403      5.153702
  C      -7.474622      3.270066      5.413695
  O      -7.657743      2.581331      4.146142
  C      -8.824178      2.725623      3.493297
  N      -9.933700      3.025554      4.156845
  C     -11.083370      3.055309      3.443664
  N     -11.242257      2.805328      2.156476
  C     -10.093403      2.541182      1.454485
  C     -10.147786      2.289998      0.067133
  C      -8.960996      2.100791     -0.620328
  C      -7.742767      2.171634      0.072729
  N      -7.641910      2.350087      1.391853
  C      -8.809309      2.521053      2.074394
  C      -2.073446     -0.310645      4.377941
  C      -1.575865     -0.894808      3.028925
  C      -2.528300     -1.961762      2.482885
  O      -2.473620     -2.047995      1.037337
  C      -3.261836     -1.217390      0.350052
  N      -4.052330     -0.348497      0.974104
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  N      -4.986468      0.411844     -1.106823
  C      -4.163483     -0.466701     -1.769331
  C      -4.207028     -0.562836     -3.177754
  C      -3.375879     -1.477685     -3.808894
  C      -2.514608     -2.282214     -3.030572
  N      -2.440912     -2.227067     -1.702702
  C      -3.253110     -1.328661     -1.081086
  C      -5.746839      0.077026      6.673472
  C      -5.422708     -1.414264      6.917507
  C      -6.428792     -2.379476      6.310942
  O      -6.227904     -2.489706      4.873264
  C      -7.106994     -1.938156      4.026383
  N      -8.088058     -1.163185      4.453835
  C      -8.901058     -0.615357      3.510865
  N      -8.811784     -0.730929      2.200245
  C      -7.805614     -1.537867      1.743495
  C      -7.624407     -1.738953      0.354646
  C      -6.637905     -2.616528     -0.060450
  C      -5.842544     -3.269024      0.903377
  N      -5.953532     -3.078451      2.216977
  C      -6.916198     -2.219581      2.627769
  H      -5.233356      5.549819      4.039503
  H      -5.747560      3.976881      3.424932
  H      -6.670028      5.123334      6.125764
  H      -7.574357      5.270561      4.609264
  H      -8.436689      3.342091      5.934442
  H      -6.783572      2.627770      5.980347
  H     -11.985261      3.307124      4.015916
  H     -11.118758      2.263334     -0.422589
  H      -8.947769      1.901362     -1.690690
  H      -6.809472      2.071290     -0.489028
  H      -1.395566     -0.619123      5.195609
  H      -3.051764     -0.763509      4.612994
  H      -0.570656     -1.328456      3.134260
  H      -1.497192     -0.072439      2.304084
  H      -3.566102     -1.770321      2.791276
  H      -2.246017     -2.970665      2.811181
  H      -5.545677      1.078696      0.765519
  H      -4.895564      0.080293     -3.730396
  H      -3.380880     -1.586211     -4.894207
  H      -1.852975     -3.008767     -3.520347
  H      -6.340400      0.172494      5.755532
  H      -6.401148      0.435888      7.494396
  H      -4.426847     -1.640735      6.507111
  H      -5.373749     -1.624259      7.997326
  H      -7.463421     -2.078368      6.513011
  H      -6.262543     -3.400632      6.677909
  H      -9.711986      0.003739      3.896690
  H      -8.260519     -1.193301     -0.345224
  H      -6.461969     -2.805566     -1.120270
  H      -5.065490     -3.969890      0.580818
  N      -5.203358      1.096845      3.402178
  H      -5.679250      1.784297      2.800838
  H      -5.972008      0.520722      3.739313
  H      -4.655925      0.504931      2.761577
99
Coordinates from ORCA-job orca E -6478.936773991351
  N      -4.430994      3.904784      5.048215
  Mo     -3.909441      1.979573      5.050202
  N      -4.579692      0.925514      6.568316
  C      -3.803884      0.993561      7.816450
  C      -3.156778      2.366586      7.924626
  N      -2.542621      2.738900      6.617794
  C      -2.463639      4.218975      6.457524
  C      -3.817334      4.780185      6.046699
  C      -1.205042      2.105933      6.412422
  C      -1.021221      1.871332      4.909711
  N      -2.199837      1.167891      4.401158
  H      -3.656880      5.793481      5.628648
  H      -4.467113      4.920257      6.935566
  H      -1.734557      4.420123      5.659708
  H      -2.093735      4.686613      7.388427
  H      -0.089221      1.305267      4.728488
  H      -0.908093      2.837767      4.391056
  H      -1.207147      1.139325      6.937411
  H      -0.408846      2.735616      6.852281
  H      -4.448884      0.839369      8.703056
  H      -3.033301      0.198053      7.850314
  H      -3.941344      3.109681      8.130138
  H      -2.410974      2.415860      8.739094
  C      -5.531124      4.550645      4.340710
  C      -6.841573      4.636419      5.145128
  C      -7.456864      3.268435      5.398307
  O      -7.649888      2.599370      4.121019
  C      -8.821375      2.756143      3.479141
  N      -9.917726      3.088767      4.140896
  C     -11.071191      3.132671      3.430773
  N     -11.245572      2.871070      2.147577
  C     -10.108982      2.571516      1.447401
  C     -10.178861      2.303791      0.060376
  C      -9.003159      2.074725     -0.627813
  C      -7.779081      2.120315      0.065739
  N      -7.666267      2.317159      1.383318
  C      -8.823092      2.528841      2.064799
  C      -2.071319     -0.288515      4.361262
  C      -1.578653     -0.853210      3.002738
  C      -2.507450     -1.950535      2.470407
  O      -2.462199     -2.046342      1.024673
  C      -3.258546     -1.222716      0.339801
  N      -4.049621     -0.356682      0.967866
  C      -4.865715      0.399670      0.202639
  N      -4.976344      0.403206     -1.113504
  C      -4.161046     -0.477277     -1.777878
  C      -4.208588     -0.574635     -3.186041
  C      -3.387386     -1.489322     -3.817636
  C      -2.532507     -2.293527     -3.040464
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  C      -3.255893     -1.337973     -1.091474
  C      -5.747926      0.064452      6.665113
  C      -5.403370     -1.422150      6.907922
  C      -6.404902     -2.393511      6.306187
  O      -6.204194     -2.516494      4.865931
  C      -7.083485     -1.961405      4.024284
  N      -8.053691     -1.179114      4.462566
  C      -8.871249     -0.628669      3.530872
  N      -8.798134     -0.746909      2.222075
  C      -7.802135     -1.563531      1.754549
  C      -7.637049     -1.766432      0.367462
  C      -6.657466     -2.636027     -0.060431
  C      -5.855120     -3.289837      0.890288
  N      -5.952269     -3.104335      2.202766
  C      -6.907273     -2.245434      2.624536
  H      -5.225460      5.573956      4.048472
  H      -5.726662      4.004499      3.406559
  H      -6.658977      5.118998      6.119405
  H      -7.567746      5.267121      4.607398
  H      -8.415100      3.333815      5.928533
  H      -6.759965      2.619953      5.949556
  H     -11.961478      3.411004      4.002263
  H     -11.153542      2.295546     -0.428752
  H      -9.002677      1.863576     -1.700599
  H      -6.851975      1.983535     -0.494198
  H      -1.395708     -0.614263      5.175215
  H      -3.052236     -0.742175      4.588044
  H      -0.557876     -1.254691      3.088060
  H      -1.541677     -0.024495      2.281602
  H      -3.549445     -1.783151      2.780949
  H      -2.197939     -2.949585      2.805735
  H      -5.523331      1.076511      0.761467
  H      -4.897590      0.068837     -3.736615
  H      -3.396630     -1.599544     -4.902211
  H      -1.883742     -3.022001     -3.529528
  H      -6.331984      0.152814      5.739686
  H      -6.419157      0.411003      7.479114
  H      -4.406653     -1.638495      6.490912
  H      -5.345856     -1.632115      7.988272
  H      -7.442573     -2.091329      6.504902
  H      -6.235030     -3.412952      6.683204
  H      -9.672527      0.008125      3.928003
  H      -8.279773     -1.222199     -0.322020
  H      -6.492492     -2.818848     -1.121488
  H      -5.082628     -3.984266      0.557206
  N      -5.175226      1.111348      3.397288
  H      -5.654271      1.793094      2.795464
  H      -5.941244      0.521000      3.744124
  H      -4.621089      0.517829      2.752811
99
Coordinates from ORCA-job orca E -6478.938092929579
  N      -4.412736      3.914998      5.048933
  Mo     -3.903553      1.986640      5.075132
  N      -4.584373      0.930046      6.589131
  C      -3.817885      0.997110      7.843387
  C      -3.166123      2.367574      7.956170
  N      -2.550148      2.741164      6.651178
  C      -2.468100      4.220383      6.492006
  C      -3.819149      4.778197      6.071492
  C      -1.213227      2.105266      6.449180
  C      -1.015582      1.887824      4.946707
  N      -2.189095      1.194936      4.415232
  H      -3.663009      5.800110      5.674940
  H      -4.480541      4.894504      6.955012
  H      -1.733517      4.420805      5.700489
  H      -2.107732      4.688770      7.426571
  H      -0.082833      1.322197      4.769028
  H      -0.893987      2.859367      4.440610
  H      -1.225540      1.132614      6.961529
  H      -0.419592      2.725965      6.904738
  H      -4.470945      0.845170      8.724294
  H      -3.050027      0.199385      7.884703
  H      -3.947036      3.113057      8.164449
  H      -2.420160      2.411061      8.770274
  C      -5.516108      4.560241      4.347708
  C      -6.829946      4.620404      5.146809
  C      -7.433867      3.243380      5.371472
  O      -7.627900      2.600499      4.080710
  C      -8.798883      2.766532      3.445467
  N      -9.887262      3.114697      4.114235
  C     -11.042053      3.172297      3.412008
  N     -11.224632      2.913022      2.129730
  C     -10.095219      2.595909      1.422221
  C     -10.174848      2.327962      0.036489
  C      -9.006488      2.074181     -0.657347
  C      -7.778594      2.096670      0.028559
  N      -7.657174      2.298989      1.343161
  C      -8.808213      2.534109      2.030653
  C      -2.065169     -0.259884      4.345683
  C      -1.585608     -0.796226      2.971816
  C      -2.485856     -1.924644      2.462378
  O      -2.457468     -2.032296      1.016925
  C      -3.270086     -1.218256      0.333904
  N      -4.052304     -0.348180      0.961933
  C      -4.885152      0.401420      0.199962
  N      -5.018708      0.392945     -1.113399
  C      -4.212985     -0.493615     -1.778075
  C      -4.275702     -0.599674     -3.185717
  C      -3.451497     -1.514348     -3.820983
  C      -2.582669     -2.311186     -3.047104
  N      -2.490206     -2.246096     -1.720351
  C      -3.291520     -1.346349     -1.095425
  C      -5.743286      0.054661      6.669899
  C      -5.391733     -1.430861      6.900459
  C      -6.398962     -2.402558      6.311689
  O      -6.207567     -2.525504      4.872351
  C      -7.083162     -1.966914      4.027964
  N      -8.055861     -1.181480      4.459327
  C      -8.867223     -0.631917      3.519451
  N      -8.786791     -0.757523      2.209072
  C      -7.790365     -1.577345      1.747878
  C      -7.620301     -1.790675      0.359229
  C      -6.641471     -2.671327     -0.061139
  C      -5.841725     -3.319646      0.898302
  N      -5.944421     -3.122200      2.211461
  C      -6.900639     -2.256651      2.626644
  H      -5.222328      5.591859      4.074240
  H      -5.702651      4.026938      3.404385
  H      -6.656593      5.087122      6.130338
  H      -7.557750      5.255523      4.615850
  H      -8.389689      3.291036      5.906712
  H      -6.730968      2.585165      5.904425
  H     -11.924740      3.462165      3.989541
  H     -11.151123      2.337286     -0.446277
  H      -9.014856      1.861701     -1.728987
  H      -6.856407      1.936153     -0.535599
  H      -1.385745     -0.605028      5.147583
  H      -3.045649     -0.715452      4.569825
  H      -0.548069     -1.157496      3.025940
  H      -1.602992      0.037531      2.256777
  H      -3.527122     -1.784111      2.785148
  H      -2.143032     -2.910687      2.802236
  H      -5.516229      1.087455      0.756171
  H      -4.969645      0.040996     -3.733090
  H      -3.467874     -1.628908     -4.906571
  H      -1.930190     -3.039137     -3.538862
  H      -6.320834      0.148006      5.741913
  H      -6.424203      0.384067      7.482423
  H      -4.401326     -1.642915      6.468017
  H      -5.319058     -1.642184      7.978250
  H      -7.434140     -2.102350      6.519847
  H      -6.226855     -3.420567      6.685450
  H      -9.669837      0.001926      3.910168
  H      -8.261146     -1.250125     -0.336303
  H      -6.474620     -2.867282     -1.122570
  H      -5.068436     -4.021554      0.572548
  N      -5.160203      1.123194      3.407767
  H      -5.651466      1.802033      2.807243
  H      -5.923699      0.517081      3.747723
  H      -4.599142      0.533999      2.763236
99
Coordinates from ORCA-job orca E -6478.939159944699
  N      -4.382032      3.928570      5.031336
  Mo     -3.899615      1.990950      5.084628
  N      -4.600015      0.942944      6.597206
  C      -3.847692      1.012581      7.861674
  C      -3.182530      2.377204      7.974468
  N      -2.555191      2.740403      6.671350
  C      -2.457337      4.218631      6.502430
  C      -3.798844      4.783805      6.067184
  C      -1.222953      2.089642      6.481467
  C      -1.008017      1.878501      4.983034
  N      -2.181580      1.204460      4.429043
  H      -3.637997      5.810345      5.682309
  H      -4.471036      4.889912      6.944607
  H      -1.713035      4.404528      5.715597
  H      -2.103574      4.692059      7.436727
  H      -0.079647      1.302384      4.816006
  H      -0.866283      2.851137      4.484359
  H      -1.254508      1.114055      6.986344
  H      -0.428907      2.697780      6.952052
  H      -4.513882      0.871022      8.734258
  H      -3.086954      0.208760      7.919324
  H      -3.955650      3.132320      8.177661
  H      -2.439265      2.413332      8.791262
  C      -5.489894      4.574979      4.336763
  C      -6.805633      4.629044      5.137159
  C      -7.409893      3.252522      5.358236
  O      -7.615839      2.615779      4.069749
  C      -8.795095      2.779201      3.451368
  N      -9.873763      3.133273      4.138298
  C     -11.045648      3.187597      3.459232
  N     -11.254130      2.924083      2.181914
  C     -10.134659      2.601871      1.454431
  C     -10.243518      2.332741      0.071445
  C      -9.086019      2.069088     -0.642279
  C      -7.838490      2.080441      0.020911
  N      -7.691470      2.290626      1.330079
  C      -8.831089      2.537059      2.038144
  C      -2.071218     -0.250052      4.335652
  C      -1.600748     -0.764327      2.950890
  C      -2.467954     -1.920640      2.452250
  O      -2.438409     -2.039718      1.006771
  C      -3.250662     -1.230554      0.319549
  N      -4.039941     -0.360165      0.946331
  C      -4.867799      0.389944      0.182426
  N      -4.994031      0.378960     -1.131221
  C      -4.178228     -0.509752     -1.796384
  C      -4.230989     -0.618265     -3.205530
  C      -3.409560     -1.538054     -3.838588
  C      -2.552943     -2.337332     -3.060968
  N      -2.465786     -2.268900     -1.733345
  C      -3.264479     -1.363924     -1.110245
  C      -5.752444      0.056696      6.658226
  C      -5.392052     -1.428489      6.890629
  C      -6.400433     -2.409969      6.313005
  O      -6.216842     -2.546478      4.871047
  C      -7.090874     -1.984732      4.023955
  N      -8.065656     -1.197726      4.452420
  C      -8.872416     -0.638435      3.510533
  N      -8.788546     -0.757026      2.199030
  C      -7.792712     -1.578504      1.739236
  C      -7.621096     -1.785462      0.348605
  C      -6.640264     -2.669723     -0.071274
  C      -5.838873     -3.325675      0.891406
  N      -5.944613     -3.134094      2.205738
  C      -6.904218     -2.267959      2.621116
  H      -5.201263      5.610918      4.069854
  H      -5.679130      4.046263      3.390835
  H      -6.632460      5.094149      6.120560
  H      -7.534744      5.264566      4.609029
  H      -8.361098      3.294136      5.901239
  H      -6.703263      2.591704      5.879303
  H     -11.919843      3.477443      4.053073
  H     -11.233924      2.348950     -0.392957
  H      -9.119025      1.859043     -1.711722
  H      -6.923312      1.903342     -0.556749
  H      -1.393095     -0.618263      5.128228
  H      -3.056742     -0.698649      4.554455
  H      -0.549263     -1.086952      2.983976
  H      -1.665096      0.072305      2.241496
  H      -3.511621     -1.806245      2.776198
  H      -2.096419     -2.894043      2.798012
  H      -5.529371      1.070463      0.744383
  H      -4.914901      0.024992     -3.753960
  H      -3.420301     -1.654108     -4.924832
  H      -1.904822     -3.069748     -3.549915
  H      -6.316074      0.148807      5.720482
  H      -6.449514      0.377273      7.462767
  H      -4.403401     -1.639388      6.449720
  H      -5.309183     -1.632507      7.971285
  H      -7.435863     -2.108537      6.521689
  H      -6.226368     -3.424877      6.696611
  H      -9.673069     -0.010246      3.899828
  H      -8.262765     -1.239843     -0.348402
  H      -6.472163     -2.862157     -1.133387
  H      -5.062424     -4.029575      0.566464
  N      -5.146072      1.136519      3.401809
  H      -5.641236      1.813652      2.798896
  H      -5.902943      0.531604      3.728093
  H      -4.586893      0.548879      2.759296
99
Coordinates from ORCA-job orca E -6478.940346707918
  N      -4.361304      3.942258      5.030096
  Mo     -3.893642      2.001011      5.096906
  N      -4.611671      0.952439      6.601635
  C      -3.877875      1.022530      7.877432
  C      -3.206400      2.384094      7.997782
  N      -2.563653      2.744979      6.700472
  C      -2.458247      4.221358      6.529245
  C      -3.792994      4.788750      6.080252
  C      -1.234022      2.086814      6.524471
  C      -0.996757      1.885102      5.027467
  N      -2.169119      1.227277      4.450592
  H      -3.631721      5.819929      5.708085
  H      -4.475967      4.881737      6.950778
  H      -1.706021      4.402002      5.748954
  H      -2.112484      4.695488      7.465830
  H      -0.071921      1.300428      4.871097
  H      -0.835801      2.859653      4.536799
  H      -1.281954      1.106853      7.020191
  H      -0.442826      2.684686      7.013691
  H      -4.559404      0.885773      8.739523
  H      -3.121694      0.215092      7.950026
  H      -3.975865      3.144282      8.194630
  H      -2.469682      2.413854      8.821274
  C      -5.475603      4.583782      4.340768
  C      -6.791829      4.620580      5.142475
  C      -7.385108      3.238377      5.349773
  O      -7.603543      2.620449      4.052933
  C      -8.788446      2.789158      3.445473
  N      -9.857516      3.158822      4.136054
  C     -11.030448      3.224392      3.461621
  N     -11.246303      2.962922      2.184744
  C     -10.136264      2.622068      1.454553
  C     -10.247994      2.354985      0.072392
  C      -9.098741      2.063507     -0.640705
  C      -7.855812      2.045327      0.021148
  N      -7.705725      2.261934      1.327136
  C      -8.836509      2.536209      2.035140
  C      -2.073600     -0.226472      4.325634
  C      -1.617720     -0.712151      2.926940
  C      -2.451915     -1.898989      2.444969
  O      -2.432382     -2.029333      0.999665
  C      -3.255466     -1.231219      0.310145
  N      -4.042376     -0.359077      0.931904
  C      -4.868852      0.381859      0.162294
  N      -5.003465      0.359152     -1.149345
  C      -4.195634     -0.534448     -1.807210
  C      -4.261108     -0.656398     -3.212298
  C      -3.433089     -1.575869     -3.841792
  C      -2.556911     -2.361066     -3.064280
  N      -2.465302     -2.282082     -1.737691
  C      -3.273371     -1.377588     -1.117793
  C      -5.753677      0.051078      6.640903
  C      -5.376242     -1.430610      6.865759
  C      -6.382235     -2.420809      6.297759
  O      -6.206625     -2.561674      4.856511
  C      -7.082290     -1.997586      4.015860
  N      -8.052230     -1.208308      4.448802
  C      -8.862252     -0.646820      3.511684
  N      -8.788520     -0.769577      2.201421
  C      -7.799170     -1.597439      1.738114
  C      -7.639010     -1.812802      0.349031
  C      -6.658999     -2.688080     -0.076286
  C      -5.845774     -3.331253      0.880541
  N      -5.943220     -3.138580      2.193714
  C      -6.903664     -2.279840      2.613952
  H      -5.197026      5.623963      4.081573
  H      -5.662895      4.060758      3.392134
  H      -6.623132      5.077798      6.130760
  H      -7.525304      5.255310      4.619746
  H      -8.329231      3.265466      5.906703
  H      -6.667954      2.573024      5.851426
  H     -11.897926      3.524012      4.059333
  H     -11.233028      2.394921     -0.390537
  H      -9.135097      1.853707     -1.708731
  H      -6.946986      1.841548     -0.554825
  H      -1.397123     -0.622165      5.106530
  H      -3.063756     -0.668858      4.537896
  H      -0.552627     -0.990328      2.931276
  H      -1.736437      0.125161      2.225679
  H      -3.497005     -1.814569      2.776913
  H      -2.047478     -2.857962      2.794680
  H      -5.526310      1.064044      0.719588
  H      -4.956972     -0.020749     -3.761384
  H      -3.449760     -1.700231     -4.925865
  H      -1.895884     -3.091219     -3.552125
  H      -6.306744      0.143482      5.696638
  H      -6.464948      0.356494      7.438865
  H      -4.390311     -1.630159      6.414155
  H      -5.279280     -1.635873      7.944455
  H      -7.418508     -2.125195      6.509331
  H      -6.200674     -3.432768      6.684102
  H      -9.655394     -0.000506      3.905356
  H      -8.287826     -1.275524     -0.342980
  H      -6.498699     -2.884353     -1.137946
  H      -5.066798     -4.025939      0.551041
  N      -5.117341      1.157104      3.388641
  H      -5.600954      1.835504      2.793526
  H      -5.870778      0.546803      3.706028
  H      -4.556977      0.567514      2.735070
99
Coordinates from ORCA-job orca E -6478.941184350911
  N      -4.328959      3.944267      5.031697
  Mo     -3.880355      1.999588      5.116492
  N      -4.613173      0.962553      6.620771
  C      -3.897186      1.032854      7.903430
  C      -3.215094      2.387580      8.023154
  N      -2.557897      2.739514      6.731420
  C      -2.440847      4.214352      6.556598
  C      -3.772776      4.784875      6.093565
  C      -1.232031      2.070038      6.568996
  C      -0.977733      1.871244      5.072819
  N      -2.153006      1.233729      4.480457
  H      -3.608501      5.818225      5.729226
  H      -4.465678      4.872876      6.956614
  H      -1.682551      4.387688      5.782145
  H      -2.097825      4.690904      7.492796
  H      -0.060904      1.272449      4.924533
  H      -0.794968      2.845195      4.586994
  H      -1.296942      1.087195      7.059425
  H      -0.441071      2.656948      7.072712
  H      -4.592414      0.908788      8.756326
  H      -3.151403      0.217903      7.993322
  H      -3.976639      3.157879      8.211132
  H      -2.484565      2.411387      8.851938
  C      -5.446104      4.579463      4.342264
  C      -6.769729      4.602305      5.129871
  C      -7.366673      3.214970      5.308601
  O      -7.589890      2.617222      3.999978
  C      -8.777006      2.793885      3.398803
  N      -9.839100      3.174157      4.089436
  C     -11.011978      3.244306      3.414745
  N     -11.234653      2.977294      2.140130
  C     -10.132827      2.620473      1.410876
  C     -10.255124      2.336737      0.029427
  C      -9.116047      2.018024     -0.682441
  C      -7.872046      1.991022     -0.020981
  N      -7.709812      2.227948      1.284297
  C      -8.833238      2.527453      1.990926
  C      -2.076608     -0.219176      4.319480
  C      -1.633211     -0.669052      2.907059
  C      -2.436742     -1.878822      2.428760
  O      -2.425136     -2.007489      0.983948
  C      -3.260527     -1.213819      0.302713
  N      -4.055558     -0.352051      0.936907
  C      -4.900397      0.385142      0.176967
  N      -5.036742      0.369371     -1.137044
  C      -4.230408     -0.515747     -1.805283
  C      -4.312242     -0.631997     -3.210253
  C      -3.491918     -1.546299     -3.847242
  C      -2.604299     -2.329853     -3.078080
  N      -2.493783     -2.254613     -1.752894
  C      -3.293961     -1.355850     -1.125842
  C      -5.749460      0.057686      6.645691
  C      -5.366078     -1.419198      6.865899
  C      -6.375741     -2.405790      6.309234
  O      -6.202008     -2.555043      4.868650
  C      -7.076839     -1.994840      4.028149
  N      -8.047360     -1.212028      4.462029
  C      -8.857411     -0.659617      3.525150
  N      -8.783363     -0.787256      2.216274
  C      -7.795236     -1.612321      1.753718
  C      -7.635886     -1.832854      0.366067
  C      -6.651589     -2.698442     -0.058015
  C      -5.834204     -3.329254      0.897870
  N      -5.932772     -3.133875      2.208756
  C      -6.897671     -2.281768      2.627166
  H      -5.170077      5.623305      4.092421
  H      -5.626054      4.063136      3.387132
  H      -6.614658      5.045125      6.128088
  H      -7.497428      5.245270      4.604993
  H      -8.309628      3.236572      5.868451
  H      -6.651359      2.533919      5.798658
  H     -11.875459      3.552099      4.011979
  H     -11.241573      2.384446     -0.432289
  H      -9.161608      1.791085     -1.752072
  H      -6.972756      1.764407     -0.597924
  H      -1.406393     -0.646966      5.089255
  H      -3.073245     -0.653630      4.519889
  H      -0.558516     -0.903440      2.883676
  H      -1.800963      0.171860      2.221096
  H      -3.481394     -1.824332      2.767080
  H      -2.004290     -2.826242      2.773214
  H      -5.531349      1.065668      0.737104
  H      -5.021847      0.002950     -3.754216
  H      -3.524156     -1.668982     -4.929525
  H      -1.955658     -3.057271     -3.571839
  H      -6.293487      0.154898      5.697749
  H      -6.469277      0.354258      7.436889
  H      -4.385538     -1.617443      6.404767
  H      -5.255944     -1.625552      7.942033
  H      -7.410727     -2.107806      6.523166
  H      -6.194533     -3.416265      6.699103
  H      -9.648414     -0.009321      3.917918
  H      -8.286915     -1.302934     -0.326396
  H      -6.490017     -2.896234     -1.117965
  H      -5.050805     -4.014583      0.568651
  N      -5.102001      1.147401      3.404878
  H      -5.595111      1.831278      2.812365
  H      -5.863427      0.522015      3.714038
  H      -4.534631      0.576011      2.765995
99
Coordinates from ORCA-job orca E -6478.942419749693
  N      -4.308230      3.951676      5.022235
  Mo     -3.877814      2.002581      5.124456
  N      -4.628976      0.975967      6.627513
  C      -3.930727      1.051983      7.919639
  C      -3.238256      2.402389      8.037558
  N      -2.565172      2.741709      6.749921
  C      -2.435264      4.213192      6.564674
  C      -3.758955      4.789925      6.088361
  C      -1.244240      2.061186      6.605728
  C      -0.969883      1.858558      5.114603
  N      -2.145281      1.239536      4.504856
  H      -3.588363      5.823189      5.726175
  H      -4.459477      4.878744      6.945540
  H      -1.670161      4.374735      5.793962
  H      -2.096125      4.695035      7.499380
  H      -0.060350      1.245952      4.980184
  H      -0.764597      2.828929      4.631160
  H      -1.324917      1.079031      7.094123
  H      -0.455383      2.640270      7.120590
  H      -4.639814      0.941199      8.762944
  H      -3.192850      0.231732      8.028578
  H      -3.994305      3.180197      8.214768
  H      -2.514888      2.423693      8.872584
  C      -5.428410      4.585454      4.335676
  C      -6.752033      4.604884      5.126329
  C      -7.344121      3.218111      5.305102
  O      -7.574699      2.626919      3.997423
  C      -8.769347      2.802308      3.410637
  N      -9.820944      3.190617      4.114695
  C     -11.002520      3.267400      3.456871
  N     -11.242676      3.001941      2.186079
  C     -10.152201      2.636049      1.442451
  C     -10.293197      2.353834      0.064373
  C      -9.164469      2.022650     -0.660166
  C      -7.912000      1.983403     -0.014917
  N      -7.733976      2.222202      1.284932
  C      -8.845923      2.532909      2.004818
  C      -2.079451     -0.209857      4.309695
  C      -1.650416     -0.626458      2.883570
  C      -2.408734     -1.867836      2.414498
  O      -2.400176     -2.004529      0.970166
  C      -3.246665     -1.223336      0.286341
  N      -4.044582     -0.365677      0.915475
  C      -4.898424      0.360328      0.153340
  N      -5.039620      0.337345     -1.157972
  C      -4.224251     -0.543419     -1.822228
  C      -4.296883     -0.663531     -3.227339
  C      -3.464704     -1.572436     -3.861130
  C      -2.580908     -2.348777     -3.087306
  N      -2.475787     -2.268850     -1.762407
  C      -3.282847     -1.373365     -1.139233
  C      -5.757338      0.058820      6.633235
  C      -5.366688     -1.416360      6.851043
  C      -6.376775     -2.408879      6.302439
  O      -6.207219     -2.563184      4.862166
  C      -7.081706     -2.002202      4.019627
  N      -8.056512     -1.221014      4.450981
  C      -8.867555     -0.669837      3.512253
  N      -8.793853     -0.801280      2.203392
  C      -7.802463     -1.623245      1.742343
  C      -7.643337     -1.846635      0.354534
  C      -6.653630     -2.710185     -0.068235
  C      -5.829338     -3.333111      0.889376
  N      -5.928773     -3.134741      2.200098
  C      -6.900227     -2.287521      2.618127
  H      -5.156099      5.630052      4.085884
  H      -5.608626      4.069620      3.381624
  H      -6.598295      5.047539      6.123761
  H      -7.481941      5.244533      4.603785
  H      -8.282260      3.232204      5.872677
  H      -6.622905      2.540347      5.786278
  H     -11.855552      3.581691      4.065246
  H     -11.285311      2.411823     -0.384636
  H      -9.225408      1.796674     -1.726578
  H      -7.019718      1.743973     -0.600022
  H      -1.407712     -0.661809      5.063713
  H      -3.078067     -0.642260      4.506038
  H      -0.566234     -0.809025      2.831811
  H      -1.876636      0.211996      2.211246
  H      -3.454400     -1.850949      2.757308
  H      -1.938778     -2.797190      2.762302
  H      -5.549649      1.033518      0.711859
  H      -5.002005     -0.033848     -3.773357
  H      -3.486699     -1.696065     -4.944740
  H      -1.924430     -3.072523     -3.577464
  H      -6.288109      0.155427      5.677766
  H      -6.491169      0.345800      7.415729
  H      -4.388758     -1.610999      6.382224
  H      -5.247008     -1.620559      7.926610
  H      -7.411919     -2.112770      6.517607
  H      -6.192238     -3.416656      6.696349
  H      -9.661482     -0.028891      3.904381
  H      -8.299128     -1.322395     -0.338895
  H      -6.490863     -2.909405     -1.128506
  H      -5.040084     -4.014439      0.561364
  N      -5.081856      1.154920      3.397096
  H      -5.573658      1.842748      2.812005
  H      -5.835312      0.524593      3.701985
  H      -4.511411      0.585147      2.743554
99
Coordinates from ORCA-job orca E -6478.943146505572
  N      -4.274483      3.955144      5.011510
  Mo     -3.870422      1.999493      5.133240
  N      -4.645965      0.991504      6.637522
  C      -3.968372      1.075075      7.939441
  C      -3.260324      2.417502      8.052168
  N      -2.567377      2.736449      6.770194
  C      -2.417657      4.205021      6.572022
  C      -3.729363      4.793533      6.078918
  C      -1.254039      2.038248      6.649772
  C      -0.956912      1.824709      5.165676
  N      -2.135318      1.232598      4.537367
  H      -3.544234      5.824133      5.713962
  H      -4.438737      4.894289      6.928489
  H      -1.643335      4.349865      5.805500
  H      -2.079772      4.693203      7.504289
  H      -0.060595      1.189591      5.049175
  H      -0.719093      2.788237      4.683284
  H      -1.355936      1.058720      7.138962
  H      -0.465561      2.607602      7.175878
  H      -4.693560      0.985907      8.771628
  H      -3.243805      0.246232      8.073360
  H      -4.007756      3.207010      8.214065
  H      -2.546546      2.436906      8.895490
  C      -5.394117      4.588386      4.322317
  C      -6.720809      4.608983      5.108746
  C      -7.315337      3.222510      5.285283
  O      -7.554544      2.632417      3.979871
  C      -8.756836      2.798771      3.406882
  N      -9.800229      3.192731      4.121282
  C     -10.992177      3.264344      3.478018
  N     -11.248976      2.990260      2.211621
  C     -10.166949      2.617439      1.456292
  C     -10.324041      2.330001      0.081046
  C      -9.202467      1.991034     -0.654766
  C      -7.942435      1.946284     -0.023119
  N      -7.749248      2.193305      1.272718
  C      -8.852090      2.515191      2.003946
  C      -2.091276     -0.210846      4.301355
  C      -1.680024     -0.589505      2.862674
  C      -2.406517     -1.846973      2.393235
  O      -2.399786     -1.981529      0.948581
  C      -3.250960     -1.207366      0.265730
  N      -4.058445     -0.357184      0.896599
  C      -4.905905      0.365516      0.132568
  N      -5.044787      0.341514     -1.180028
  C      -4.223440     -0.534224     -1.845012
  C      -4.301516     -0.658643     -3.249073
  C      -3.464692     -1.563695     -3.884001
  C      -2.564677     -2.329957     -3.113231
  N      -2.459327     -2.247496     -1.787379
  C      -3.277356     -1.357155     -1.161975
  C      -5.770218      0.067572      6.628635
  C      -5.376147     -1.406709      6.856036
  C      -6.386753     -2.406797      6.316726
  O      -6.215272     -2.575470      4.876994
  C      -7.085155     -2.013819      4.028991
  N      -8.063022     -1.228228      4.455259
  C      -8.871416     -0.674230      3.511506
  N      -8.794822     -0.808204      2.202535
  C      -7.800187     -1.633421      1.746327
  C      -7.637050     -1.858255      0.358278
  C      -6.637070     -2.713972     -0.061208
  C      -5.807974     -3.332016      0.901835
  N      -5.915216     -3.137980      2.213757
  C      -6.895861     -2.297137      2.628105
  H      -5.120315      5.632808      4.070705
  H      -5.572344      4.072180      3.367667
  H      -6.572139      5.051394      6.106660
  H      -7.447879      5.250300      4.584206
  H      -8.249625      3.234418      5.859396
  H      -6.591391      2.544420      5.760879
  H     -11.837978      3.583208      4.095184
  H     -11.321861      2.391960     -0.357321
  H      -9.275531      1.764807     -1.718812
  H      -7.056582      1.694961     -0.615840
  H      -1.425576     -0.697783      5.038605
  H      -3.096826     -0.631208      4.488451
  H      -0.591146     -0.727894      2.783168
  H      -1.955817      0.249566      2.210174
  H      -3.449607     -1.853766      2.740294
  H      -1.913956     -2.764417      2.737923
  H      -5.574720      1.032634      0.693210
  H      -5.016704     -0.037105     -3.792216
  H      -3.491527     -1.689545     -4.967470
  H      -1.897385     -3.048832     -3.605753
  H      -6.286332      0.160164      5.663757
  H      -6.518428      0.353749      7.399315
  H      -4.398882     -1.604398      6.383691
  H      -5.249305     -1.601973      7.934595
  H      -7.422828     -2.106811      6.526797
  H      -6.203142     -3.411001      6.723214
  H      -9.664966     -0.024893      3.899491
  H      -8.296944     -1.341449     -0.338221
  H      -6.468314     -2.909538     -1.122227
  H      -5.010100     -4.008466      0.576814
  N      -5.064774      1.149566      3.395352
  H      -5.554061      1.844452      2.815779
  H      -5.818113      0.519234      3.685405
  H      -4.493741      0.585982      2.737947
99
Coordinates from ORCA-job orca E -6478.943780746243
  N      -4.252180      3.961484      5.009190
  Mo     -3.863260      2.003157      5.136187
  N      -4.657436      1.006114      6.638923
  C      -3.998699      1.093514      7.948578
  C      -3.280098      2.431115      8.060124
  N      -2.569925      2.737075      6.785040
  C      -2.406268      4.201199      6.580480
  C      -3.708856      4.799301      6.075799
  C      -1.262725      2.028459      6.686162
  C      -0.944412      1.803745      5.207671
  N      -2.123937      1.233295      4.564519
  H      -3.511662      5.825702      5.707447
  H      -4.422742      4.912149      6.918705
  H      -1.627412      4.336703      5.818422
  H      -2.068383      4.691445      7.511485
  H      -0.061032      1.148596      5.108106
  H      -0.678126      2.760050      4.725490
  H      -1.379285      1.051217      7.176846
  H      -0.476573      2.592569      7.221299
  H      -4.737265      1.020861      8.770820
  H      -3.285409      0.258326      8.101779
  H      -4.022351      3.227215      8.209896
  H      -2.576227      2.449863      8.911851
  C      -5.371874      4.594801      4.318789
  C      -6.699849      4.613936      5.103058
  C      -7.293913      3.227322      5.277004
  O      -7.540841      2.641101      3.971181
  C      -8.752961      2.798320      3.413797
  N      -9.789168      3.187542      4.142949
  C     -10.989919      3.257936      3.516423
  N     -11.262130      2.986477      2.254020
  C     -10.188982      2.616719      1.483207
  C     -10.363629      2.332937      0.111148
  C      -9.251257      1.995838     -0.639766
  C      -7.983408      1.950818     -0.026150
  N      -7.773682      2.195512      1.266422
  C      -8.866852      2.514778      2.012535
  C      -2.089406     -0.204151      4.296811
  C      -1.689388     -0.554317      2.850182
  C      -2.372228     -1.837214      2.384447
  O      -2.365916     -1.976069      0.940369
  C      -3.235648     -1.219461      0.255390
  N      -4.060007     -0.380108      0.882273
  C      -4.923445      0.328067      0.117036
  N      -5.053069      0.302521     -1.196090
  C      -4.213937     -0.562491     -1.857566
  C      -4.276526     -0.686894     -3.262714
  C      -3.429216     -1.585472     -3.891400
  C      -2.535394     -2.345406     -3.113580
  N      -2.436045     -2.259378     -1.788891
  C      -3.261602     -1.374368     -1.169823
  C      -5.774436      0.072939      6.612563
  C      -5.373355     -1.397725      6.833858
  C      -6.384097     -2.400914      6.300600
  O      -6.218126     -2.567582      4.862397
  C      -7.094219     -2.010988      4.018029
  N      -8.078915     -1.240012      4.448494
  C      -8.896873     -0.696330      3.508551
  N      -8.826200     -0.830732      2.200143
  C      -7.823617     -1.639595      1.740031
  C      -7.664584     -1.862627      0.352409
  C      -6.654407     -2.704872     -0.070309
  C      -5.811165     -3.307626      0.888047
  N      -5.915019     -3.113091      2.199044
  C      -6.905980     -2.288090      2.617449
  H      -5.097179      5.638479      4.067403
  H      -5.545601      4.080209      3.362457
  H      -6.554210      5.054180      6.102567
  H      -7.426309      5.255664      4.578709
  H      -8.224091      3.236595      5.857506
  H      -6.565640      2.550065      5.748260
  H     -11.829303      3.573848      4.146057
  H     -11.367000      2.396484     -0.313171
  H      -9.337765      1.772167     -1.702080
  H      -7.104917      1.700038     -0.630559
  H      -1.425503     -0.712693      5.020590
  H      -3.097725     -0.620973      4.478416
  H      -0.597027     -0.641874      2.748590
  H      -2.015810      0.276142      2.210848
  H      -3.415400     -1.876341      2.733191
  H      -1.848961     -2.737346      2.732855
  H      -5.594154      0.989172      0.669263
  H      -4.989820     -0.071980     -3.811296
  H      -3.446680     -1.712345     -4.974638
  H      -1.866969     -3.061370     -3.599419
  H      -6.280828      0.167082      5.643566
  H      -6.532718      0.349174      7.375539
  H      -4.400367     -1.589555      6.352373
  H      -5.234588     -1.594954      7.909004
  H      -7.419676     -2.106615      6.515510
  H      -6.193929     -3.403598      6.705138
  H      -9.695710     -0.057322      3.899673
  H      -8.335285     -1.355021     -0.342557
  H      -6.487428     -2.898902     -1.130546
  H      -5.004470     -3.970834      0.559671
  N      -5.046053      1.153168      3.389376
  H      -5.533617      1.856041      2.820916
  H      -5.795774      0.520121      3.676563
  H      -4.477072      0.601036      2.719728
99
Coordinates from ORCA-job orca E -6478.944206222230
  N      -4.221813      3.953023      4.999736
  Mo     -3.853556      1.991267      5.151532
  N      -4.670424      1.018358      6.659577
  C      -4.030847      1.116909      7.975064
  C      -3.298572      2.447321      8.075038
  N      -2.570839      2.727505      6.804498
  C      -2.385330      4.187669      6.583397
  C      -3.677554      4.797648      6.061466
  C      -1.271653      2.001370      6.731304
  C      -0.933480      1.759037      5.259159
  N      -2.114885      1.211718      4.600407
  H      -3.461200      5.816553      5.682214
  H      -4.398151      4.934133      6.896039
  H      -1.598364      4.304615      5.824603
  H      -2.046186      4.685609      7.510398
  H      -0.065090      1.081687      5.178941
  H      -0.635914      2.706005      4.776363
  H      -1.407948      1.029420      7.228118
  H      -0.485354      2.559468      7.273087
  H      -4.782279      1.069521      8.787466
  H      -3.331937      0.274600      8.153537
  H      -4.033898      3.253563      8.207451
  H      -2.604536      2.469968      8.934494
  C      -5.337450      4.585714      4.301508
  C      -6.671885      4.612996      5.074870
  C      -7.277089      3.230289      5.250456
  O      -7.528527      2.642477      3.945155
  C      -8.743508      2.797116      3.393529
  N      -9.772124      3.201094      4.119795
  C     -10.973310      3.272378      3.495084
  N     -11.253018      2.987350      2.237689
  C     -10.188140      2.598696      1.469866
  C     -10.372760      2.294421      0.101258
  C      -9.269840      1.936032     -0.648459
  C      -8.001023      1.892072     -0.035874
  N      -7.781718      2.155134      1.254034
  C      -8.866544      2.494248      1.997765
  C      -2.094251     -0.216972      4.287659
  C      -1.699836     -0.522206      2.830934
  C      -2.348169     -1.816897      2.347201
  O      -2.343494     -1.940089      0.901917
  C      -3.223477     -1.189347      0.228025
  N      -4.044935     -0.365067      0.865776
  C      -4.929001      0.336038      0.113115
  N      -5.079317      0.315756     -1.197762
  C      -4.240332     -0.533297     -1.870159
  C      -4.313863     -0.647746     -3.275966
  C      -3.455649     -1.528487     -3.918920
  C      -2.551661     -2.284909     -3.152216
  N      -2.442941     -2.207525     -1.827229
  C      -3.269566     -1.336672     -1.196371
  C      -5.782871      0.081391      6.625931
  C      -5.383561     -1.386598      6.852282
  C      -6.399489     -2.383468      6.324686
  O      -6.230707     -2.552912      4.887410
  C      -7.103184     -1.998952      4.037557
  N      -8.095406     -1.235457      4.462066
  C      -8.914856     -0.706825      3.516516
  N      -8.841419     -0.854942      2.208980
  C      -7.827606     -1.654346      1.755454
  C      -7.661460     -1.890254      0.370792
  C      -6.638069     -2.721742     -0.043132
  C      -5.790431     -3.303772      0.920162
  N      -5.902278     -3.098850      2.228465
  C      -6.904992     -2.281991      2.638342
  H      -5.056521      5.626559      4.046326
  H      -5.503652      4.067322      3.345554
  H      -6.531538      5.055718      6.074417
  H      -7.391555      5.257040      4.543535
  H      -8.207518      3.249289      5.830451
  H      -6.553084      2.549257      5.725611
  H     -11.805829      3.604023      4.121973
  H     -11.376667      2.358314     -0.322327
  H      -9.364289      1.695109     -1.710709
  H      -7.129635      1.624809     -0.638729
  H      -1.438140     -0.755963      4.997149
  H      -3.107362     -0.630330      4.452705
  H      -0.606965     -0.567185      2.711932
  H      -2.064677      0.309967      2.214848
  H      -3.390668     -1.884529      2.694850
  H      -1.803401     -2.706953      2.687300
  H      -5.612941      0.985019      0.676424
  H      -5.038428     -0.038319     -3.815686
  H      -3.475797     -1.646060     -5.004431
  H      -1.877431     -2.988583     -3.649306
  H      -6.280814      0.172479      5.652938
  H      -6.548924      0.357278      7.380565
  H      -4.414744     -1.583201      6.365251
  H      -5.238617     -1.581826      7.926732
  H      -7.432807     -2.082525      6.539792
  H      -6.214272     -3.385976      6.731417
  H      -9.722723     -0.084321      3.902711
  H      -8.337643     -1.401525     -0.329467
  H      -6.464496     -2.922446     -1.101225
  H      -4.973936     -3.956783      0.598568
  N      -5.031835      1.128128      3.405829
  H      -5.523495      1.835816      2.847681
  H      -5.784353      0.484310      3.688829
  H      -4.458808      0.588386      2.733103
99
Coordinates from ORCA-job orca E -6478.944706653094
  N      -4.193421      3.947308      4.982809
  Mo     -3.847108      1.981962      5.162162
  N      -4.691282      1.032632      6.672805
  C      -4.070645      1.145001      7.995903
  C      -3.324099      2.468474      8.085044
  N      -2.577131      2.720440      6.819659
  C      -2.368364      4.176759      6.578907
  C      -3.646116      4.800490      6.036433
  C      -1.286838      1.975128      6.775199
  C      -0.927558      1.712547      5.312015
  N      -2.108922      1.187351      4.635074
  H      -3.407253      5.809930      5.643333
  H      -4.373635      4.964273      6.860838
  H      -1.572042      4.271885      5.824519
  H      -2.029880      4.682675      7.501868
  H      -0.075023      1.013257      5.254977
  H      -0.596715      2.648397      4.828525
  H      -1.444472      1.010938      7.280445
  H      -0.501078      2.528171      7.322866
  H      -4.834824      1.121270      8.797694
  H      -3.384553      0.297610      8.199754
  H      -4.052997      3.284227      8.197506
  H      -2.640920      2.496820      8.953044
  C      -5.301688      4.581984      4.274720
  C      -6.639992      4.621356      5.040502
  C      -7.254159      3.244184      5.227640
  O      -7.509961      2.646684      3.928573
  C      -8.731714      2.788163      3.389369
  N      -9.753795      3.194262      4.124443
  C     -10.962972      3.259336      3.514140
  N     -11.256635      2.966370      2.262366
  C     -10.199002      2.574569      1.484654
  C     -10.398450      2.268369      0.119656
  C      -9.302101      1.913660     -0.642805
  C      -8.025995      1.871764     -0.045277
  N      -7.793086      2.134934      1.241424
  C      -8.870432      2.474002      1.997164
  C      -2.097879     -0.231848      4.281062
  C      -1.706608     -0.498424      2.816839
  C      -2.324337     -1.801258      2.316260
  O      -2.316829     -1.911084      0.869958
  C      -3.212701     -1.171985      0.202671
  N      -4.050129     -0.364566      0.847613
  C      -4.940728      0.330388      0.100524
  N      -5.089550      0.316071     -1.211542
  C      -4.242090     -0.519466     -1.890322
  C      -4.327016     -0.632261     -3.294448
  C      -3.468552     -1.503949     -3.942196
  C      -2.541622     -2.249487     -3.184277
  N      -2.422069     -2.172426     -1.861006
  C      -3.257216     -1.313006     -1.223702
  C      -5.799058      0.090286      6.629638
  C      -5.397572     -1.376121      6.870649
  C      -6.413035     -2.378830      6.348094
  O      -6.242858     -2.558069      4.910458
  C      -7.117637     -2.014061      4.054337
  N      -8.119926     -1.259473      4.473182
  C      -8.940875     -0.739531      3.522196
  N      -8.861106     -0.885414      2.213592
  C      -7.833624     -1.670478      1.765720
  C      -7.656152     -1.895092      0.379611
  C      -6.615334     -2.700903     -0.031137
  C      -5.764009     -3.273711      0.937361
  N      -5.888226     -3.083047      2.248883
  C      -6.906699     -2.288749      2.655122
  H      -5.012833      5.619242      4.013557
  H      -5.462706      4.058429      3.320851
  H      -6.501082      5.071489      6.036326
  H      -7.354052      5.264594      4.502169
  H      -8.184588      3.274076      5.806596
  H      -6.534384      2.564523      5.709532
  H     -11.788718      3.594548      4.148433
  H     -11.406881      2.331313     -0.292461
  H      -9.406903      1.675853     -1.703172
  H      -7.158596      1.609642     -0.658664
  H      -1.447172     -0.796510      4.975988
  H      -3.114539     -0.642787      4.432441
  H      -0.613891     -0.508265      2.686532
  H      -2.101439      0.334667      2.219942
  H      -3.366361     -1.893587      2.661223
  H      -1.761515     -2.682675      2.649928
  H      -5.622279      0.973419      0.666673
  H      -5.068282     -0.032636     -3.828087
  H      -3.501821     -1.621727     -5.025635
  H      -1.863253     -2.945652     -3.686002
  H      -6.284386      0.173010      5.648352
  H      -6.577961      0.368648      7.372238
  H      -4.428079     -1.577529      6.383945
  H      -5.251033     -1.561041      7.948378
  H      -7.447238     -2.075526      6.559869
  H      -6.227402     -3.379141      6.763514
  H      -9.757550     -0.121820      3.903316
  H      -8.336728     -1.416095     -0.325560
  H      -6.431807     -2.890781     -1.091116
  H      -4.934314     -3.907914      0.616991
  N      -5.016694      1.111522      3.413133
  H      -5.518119      1.825236      2.866306
  H      -5.759622      0.458065      3.690795
  H      -4.442607      0.587865      2.727264
99
Coordinates from ORCA-job orca E -6478.944978055471
  N      -4.165505      3.944295      4.972306
  Mo     -3.839775      1.977312      5.167159
  N      -4.712991      1.050040      6.679068
  C      -4.107266      1.175777      8.007844
  C      -3.349179      2.494664      8.089580
  N      -2.586284      2.720936      6.830292
  C      -2.351493      4.167515      6.576001
  C      -3.611266      4.803861      6.015553
  C      -1.305299      1.957431      6.815570
  C      -0.923514      1.662720      5.365017
  N      -2.103470      1.159657      4.671509
  H      -3.350940      5.800220      5.607450
  H      -4.339675      4.995277      6.830021
  H      -1.549968      4.241733      5.829390
  H      -2.013147      4.676906      7.496752
  H      -0.092639      0.936135      5.340614
  H      -0.552122      2.580765      4.877239
  H      -1.484002      1.005904      7.335350
  H      -0.520933      2.510014      7.364429
  H      -4.881397      1.171875      8.800710
  H      -3.431753      0.325443      8.232101
  H      -4.072596      3.316810      8.184483
  H      -2.676957      2.529753      8.966201
  C      -5.265908      4.579971      4.252014
  C      -6.603934      4.632447      5.011751
  C      -7.222924      3.258535      5.209329
  O      -7.495166      2.655792      3.913442
  C      -8.725410      2.773089      3.388910
  N      -9.747038      3.165749      4.136151
  C     -10.965457      3.208411      3.541838
  N     -11.268741      2.906066      2.293787
  C     -10.211217      2.527521      1.503391
  C     -10.419072      2.220360      0.141571
  C      -9.324345      1.882713     -0.634855
  C      -8.042011      1.852771     -0.053035
  N      -7.800106      2.117765      1.230497
  C      -8.874331      2.446625      1.999000
  C      -2.100475     -0.248035      4.280394
  C      -1.717622     -0.481281      2.809884
  C      -2.310233     -1.787935      2.296256
  O      -2.298031     -1.882146      0.848796
  C      -3.211563     -1.160681      0.185311
  N      -4.074793     -0.374159      0.833230
  C      -4.963720      0.315640      0.087476
  N      -5.094408      0.310853     -1.228163
  C      -4.224336     -0.507781     -1.910808
  C      -4.295609     -0.614366     -3.317526
  C      -3.425212     -1.473977     -3.967014
  C      -2.491093     -2.212231     -3.210398
  N      -2.381473     -2.138727     -1.885650
  C      -3.235700     -1.292952     -1.244885
  C      -5.811418      0.097774      6.628206
  C      -5.395815     -1.364487      6.865980
  C      -6.407426     -2.372957      6.340429
  O      -6.239104     -2.539290      4.905300
  C      -7.118036     -1.991900      4.059375
  N      -8.118453     -1.236933      4.489643
  C      -8.955772     -0.724367      3.551136
  N      -8.897322     -0.878629      2.245440
  C      -7.865840     -1.658383      1.785283
  C      -7.709210     -1.894227      0.402281
  C      -6.663819     -2.698994     -0.019757
  C      -5.787816     -3.255007      0.934282
  N      -5.894037     -3.055124      2.242991
  C      -6.916569     -2.265361      2.660488
  H      -4.972530      5.613370      3.982026
  H      -5.421049      4.048149      3.301756
  H      -6.462818      5.088842      6.005294
  H      -7.313132      5.278638      4.467454
  H      -8.147130      3.297729      5.796731
  H      -6.500396      2.576302      5.688675
  H     -11.791304      3.531794      4.187421
  H     -11.432748      2.269253     -0.258870
  H      -9.435296      1.649227     -1.692960
  H      -7.177207      1.599076     -0.675971
  H      -1.452644     -0.837133      4.956855
  H      -3.119909     -0.653583      4.424623
  H      -0.626010     -0.459007      2.667842
  H      -2.140282      0.350367      2.230318
  H      -3.350950     -1.899126      2.640585
  H      -1.732809     -2.662409      2.622867
  H      -5.647752      0.952418      0.654796
  H      -5.042802     -0.024150     -3.850547
  H      -3.453751     -1.587897     -5.050986
  H      -1.804398     -2.900672     -3.712890
  H      -6.293308      0.176510      5.644071
  H      -6.597527      0.365608      7.366458
  H      -4.427057     -1.555335      6.373099
  H      -5.241990     -1.549578      7.940513
  H      -7.442699     -2.077287      6.554902
  H      -6.217228     -3.373416      6.748388
  H      -9.769973     -0.094835      3.940107
  H      -8.412263     -1.433708     -0.289914
  H      -6.497755     -2.899124     -1.076700
  H      -4.953911     -3.888331      0.606862
  N      -5.009449      1.100532      3.417974
  H      -5.508689      1.819685      2.878312
  H      -5.756368      0.452900      3.686776
  H      -4.447258      0.581139      2.724411
99
Coordinates from ORCA-job orca E -6478.945609542464
  N      -4.140981      3.929778      4.952337
  Mo     -3.832636      1.960915      5.171925
  N      -4.729627      1.058937      6.687203
  C      -4.136768      1.199535      8.019819
  C      -3.368643      2.513731      8.088973
  N      -2.589010      2.711964      6.835164
  C      -2.331499      4.152894      6.560720
  C      -3.577473      4.800354      5.981422
  C      -1.317603      1.930965      6.847334
  C      -0.920641      1.611810      5.405677
  N      -2.100311      1.122792      4.701091
  H      -3.297217      5.784081      5.555540
  H      -4.308037      5.019868      6.787135
  H      -1.523371      4.202904      5.818075
  H      -1.991652      4.670354      7.476461
  H      -0.105744      0.866914      5.404488
  H      -0.520321      2.516037      4.913572
  H      -1.516412      0.989716      7.379101
  H      -0.532969      2.481719      7.398456
  H      -4.918975      1.213482      8.804700
  H      -3.470215      0.347507      8.263944
  H      -4.086360      3.343494      8.160882
  H      -2.706458      2.557918      8.972893
  C      -5.233023      4.566423      4.219755
  C      -6.573453      4.642489      4.974939
  C      -7.208051      3.279624      5.194580
  O      -7.486390      2.661220      3.907900
  C      -8.721415      2.768562      3.391981
  N      -9.737678      3.166697      4.141270
  C     -10.961309      3.198688      3.555583
  N     -11.274483      2.881344      2.313246
  C     -10.222414      2.497097      1.520202
  C     -10.440916      2.174098      0.162157
  C      -9.352301      1.832802     -0.619317
  C      -8.065219      1.812459     -0.045093
  N      -7.813952      2.090627      1.234921
  C      -8.881656      2.425380      2.007512
  C      -2.097421     -0.274976      4.280237
  C      -1.709788     -0.470055      2.806534
  C      -2.281544     -1.774675      2.265678
  O      -2.264106     -1.842933      0.816449
  C      -3.185877     -1.127654      0.159781
  N      -4.054760     -0.356795      0.812766
  C      -4.963365      0.320666      0.072915
  N      -5.104873      0.317386     -1.241103
  C      -4.227175     -0.484871     -1.928384
  C      -4.304066     -0.587242     -3.335282
  C      -3.420983     -1.429513     -3.991550
  C      -2.475081     -2.157529     -3.240190
  N      -2.359611     -2.086784     -1.915828
  C      -3.220778     -1.255685     -1.269552
  C      -5.829743      0.109473      6.637655
  C      -5.421376     -1.352951      6.888612
  C      -6.435789     -2.358871      6.366660
  O      -6.263759     -2.530738      4.931193
  C      -7.145265     -1.994320      4.080154
  N      -8.157526     -1.257038      4.504625
  C      -8.995056     -0.754581      3.559877
  N      -8.926215     -0.903024      2.251901
  C      -7.880297     -1.663454      1.798232
  C      -7.708944     -1.888598      0.413437
  C      -6.646895     -2.669169     -0.003111
  C      -5.771218     -3.216423      0.958499
  N      -5.891520     -3.027223      2.269966
  C      -6.929462     -2.258494      2.681416
  H      -4.927996      5.593348      3.937264
  H      -5.389675      4.022999      3.275325
  H      -6.428556      5.113027      5.961369
  H      -7.275670      5.286569      4.420397
  H      -8.133073      3.338807      5.779699
  H      -6.494497      2.597405      5.685414
  H     -11.782363      3.527080      4.203078
  H     -11.457835      2.214872     -0.232190
  H      -9.471684      1.588700     -1.675859
  H      -7.204465      1.557049     -0.671468
  H      -1.451764     -0.879482      4.945140
  H      -3.116792     -0.684553      4.411162
  H      -0.618829     -0.427164      2.665929
  H      -2.144990      0.367794      2.245011
  H      -3.321436     -1.909060      2.603951
  H      -1.692127     -2.645693      2.578865
  H      -5.657205      0.945566      0.644956
  H      -5.062301     -0.006926     -3.863893
  H      -3.450617     -1.539438     -5.076554
  H      -1.780171     -2.834059     -3.747778
  H      -6.306786      0.183247      5.651515
  H      -6.618694      0.384538      7.370035
  H      -4.452823     -1.552215      6.398418
  H      -5.271421     -1.531263      7.965565
  H      -7.469921     -2.056009      6.578133
  H      -6.251580     -3.359322      6.779970
  H      -9.820240     -0.140657      3.943349
  H      -8.412994     -1.433687     -0.286474
  H      -6.468244     -2.858101     -1.062594
  H      -4.924313     -3.829797      0.634106
  N      -4.996193      1.075962      3.421512
  H      -5.511646      1.796821      2.900314
  H      -5.728535      0.407941      3.683115
  H      -4.430016      0.579732      2.711772
99
Coordinates from ORCA-job orca E -6478.946079611623
  N      -4.116899      3.903271      4.921711
  Mo     -3.826826      1.936842      5.184089
  N      -4.749184      1.075103      6.707249
  C      -4.168719      1.239915      8.040810
  C      -3.386856      2.547114      8.084050
  N      -2.588021      2.703232      6.835110
  C      -2.304922      4.132973      6.531909
  C      -3.539714      4.788827      5.931379
  C      -1.331075      1.901237      6.878463
  C      -0.923319      1.545420      5.448404
  N      -2.102322      1.066337      4.736193
  H      -3.241515      5.756847      5.482513
  H      -4.269849      5.037779      6.729412
  H      -1.491088      4.149443      5.792513
  H      -1.961208      4.662893      7.438787
  H      -0.126709      0.781334      5.476578
  H      -0.491975      2.430096      4.946002
  H      -1.554445      0.976254      7.428991
  H      -0.544371      2.451921      7.426828
  H      -4.957870      1.277433      8.817352
  H      -3.512352      0.387548      8.310767
  H      -4.095918      3.386814      8.120016
  H      -2.735624      2.608021      8.974513
  C      -5.198734      4.536433      4.172504
  C      -6.541486      4.643146      4.922034
  C      -7.198510      3.295392      5.167752
  O      -7.482505      2.660536      3.891278
  C      -8.722848      2.759260      3.387978
  N      -9.731866      3.164879      4.140866
  C     -10.958136      3.193599      3.564556
  N     -11.279844      2.869128      2.327421
  C     -10.235345      2.478294      1.530669
  C     -10.464378      2.146522      0.176437
  C      -9.383737      1.799910     -0.610247
  C      -8.092240      1.782513     -0.043983
  N      -7.832434      2.067756      1.231562
  C      -8.893683      2.407592      2.008014
  C      -2.090175     -0.319594      4.279586
  C      -1.694876     -0.472912      2.801706
  C      -2.241683     -1.772717      2.222665
  O      -2.213873     -1.802015      0.772656
  C      -3.147680     -1.091989      0.133228
  N      -4.018157     -0.349182      0.804725
  C      -4.948420      0.321353      0.083379
  N      -5.109689      0.332729     -1.226041
  C      -4.229195     -0.441446     -1.932696
  C      -4.324493     -0.525592     -3.338590
  C      -3.429342     -1.336607     -4.016424
  C      -2.459050     -2.054774     -3.285903
  N      -2.329535     -2.000671     -1.963273
  C      -3.198822     -1.198752     -1.296690
  C      -5.850270      0.130148      6.662376
  C      -5.451569     -1.331940      6.931085
  C      -6.466578     -2.332450      6.404621
  O      -6.287126     -2.511506      4.966120
  C      -7.170066     -1.989176      4.102161
  N      -8.196811     -1.260291      4.514475
  C      -9.036279     -0.781715      3.560575
  N      -8.960167     -0.950363      2.253851
  C      -7.895024     -1.694297      1.811335
  C      -7.708817     -1.927432      0.428546
  C      -6.625953     -2.679189      0.021810
  C      -5.747095     -3.197666      0.991399
  N      -5.881488     -3.005216      2.302643
  C      -6.938775     -2.259253      2.703729
  H      -4.882045      5.554690      3.871046
  H      -5.358446      3.973885      3.239048
  H      -6.390955      5.131420      5.898595
  H      -7.233751      5.283719      4.352817
  H      -8.125543      3.383699      5.745410
  H      -6.502443      2.608317      5.673863
  H     -11.772298      3.527690      4.214612
  H     -11.483084      2.184696     -0.210975
  H      -9.512583      1.549080     -1.664935
  H      -7.235634      1.524767     -0.672955
  H      -1.438354     -0.934792      4.928379
  H      -3.104992     -0.742256      4.399215
  H      -0.604080     -0.412613      2.669292
  H      -2.138151      0.373824      2.260457
  H      -3.280342     -1.937385      2.549383
  H      -1.637892     -2.640909      2.515984
  H      -5.652412      0.923791      0.670632
  H      -5.102197      0.045346     -3.849967
  H      -3.467910     -1.431255     -5.102114
  H      -1.753538     -2.708189     -3.810612
  H      -6.320264      0.195267      5.672441
  H      -6.642887      0.416444      7.387331
  H      -4.479440     -1.541356      6.451290
  H      -5.315412     -1.503062      8.012604
  H      -7.501120     -2.020986      6.608148
  H      -6.289878     -3.333572      6.824759
  H      -9.874659     -0.185536      3.935191
  H      -8.417424     -1.496586     -0.278043
  H      -6.435772     -2.868599     -1.037430
  H      -4.885430     -3.788591      0.675397
  N      -4.993840      1.041455      3.444313
  H      -5.522365      1.759879      2.927685
  H      -5.723870      0.369669      3.719129
  H      -4.426583      0.552093      2.733164
99
Coordinates from ORCA-job orca E -6478.946598617818
  N      -4.094326      3.885526      4.897164
  Mo     -3.825137      1.920808      5.199083
  N      -4.774212      1.081408      6.720585
  C      -4.204040      1.264441      8.058202
  C      -3.414616      2.566700      8.089018
  N      -2.599234      2.692656      6.846989
  C      -2.297451      4.116675      6.524355
  C      -3.516378      4.779062      5.900255
  C      -1.353669      1.870315      6.915976
  C      -0.931896      1.492416      5.495142
  N      -2.107623      1.023045      4.767186
  H      -3.201947      5.737332      5.440926
  H      -4.252668      5.045100      6.687416
  H      -1.476752      4.107729      5.792256
  H      -1.956332      4.655157      7.427288
  H      -0.149712      0.714142      5.547353
  H      -0.472351      2.363640      4.991941
  H      -1.601160      0.956728      7.475891
  H      -0.566431      2.416985      7.468637
  H      -5.000426      1.314735      8.826981
  H      -3.552938      0.413595      8.347345
  H      -4.117155      3.412416      8.095566
  H      -2.773747      2.640351      8.986460
  C      -5.162014      4.520093      4.130765
  C      -6.505525      4.653643      4.873857
  C      -7.178976      3.318034      5.138376
  O      -7.475688      2.674044      3.866585
  C      -8.719956      2.755859      3.371723
  N      -9.728102      3.162284      4.122547
  C     -10.956895      3.169482      3.550169
  N     -11.281546      2.825754      2.317717
  C     -10.237327      2.435553      1.522549
  C     -10.468147      2.085815      0.170902
  C      -9.389094      1.740346     -0.616125
  C      -8.095123      1.738014     -0.052633
  N      -7.832775      2.040722      1.220337
  C      -8.893824      2.383558      1.995947
  C      -2.091815     -0.350880      4.275705
  C      -1.688364     -0.470569      2.795451
  C      -2.231145     -1.760041      2.192542
  O      -2.193957     -1.763618      0.741796
  C      -3.135091     -1.058541      0.109726
  N      -4.009094     -0.327671      0.788490
  C      -4.949820      0.338926      0.074599
  N      -5.119292      0.354207     -1.233440
  C      -4.235622     -0.409743     -1.948166
  C      -4.338437     -0.489688     -3.354790
  C      -3.440373     -1.289092     -4.040768
  C      -2.459811     -2.000873     -3.317603
  N      -2.321361     -1.949524     -1.995636
  C      -3.192922     -1.158773     -1.321252
  C      -5.870652      0.132483      6.680422
  C      -5.454721     -1.324955      6.957555
  C      -6.455274     -2.338277      6.425937
  O      -6.270732     -2.502646      4.988605
  C      -7.161208     -1.980832      4.134721
  N      -8.190608     -1.269287      4.558200
  C      -9.039822     -0.789009      3.614442
  N      -8.970783     -0.942189      2.305714
  C      -7.902088     -1.667996      1.851695
  C      -7.725016     -1.887796      0.465995
  C      -6.638642     -2.631004      0.047648
  C      -5.748766     -3.151050      1.008305
  N      -5.874845     -2.969651      2.321862
  C      -6.935246     -2.233972      2.734101
  H      -4.833853      5.532004      3.818976
  H      -5.324550      3.946542      3.204198
  H      -6.350101      5.155591      5.843228
  H      -7.188541      5.294617      4.292935
  H      -8.103775      3.427999      5.717215
  H      -6.493454      2.623158      5.649192
  H     -11.770600      3.502836      4.199058
  H     -11.488315      2.109659     -0.213943
  H      -9.519869      1.477882     -1.669976
  H      -7.240022      1.480133     -0.682864
  H      -1.439601     -0.980872      4.910670
  H      -3.106394     -0.777949      4.382825
  H      -0.596491     -0.408127      2.671169
  H      -2.127414      0.387232      2.267767
  H      -3.270359     -1.931996      2.513588
  H      -1.627033     -2.633421      2.470483
  H      -5.651559      0.934052      0.670086
  H      -5.123979      0.075960     -3.860304
  H      -3.484354     -1.381125     -5.127017
  H      -1.753725     -2.646816     -3.848901
  H      -6.340846      0.187649      5.689261
  H      -6.666418      0.416194      7.402630
  H      -4.476706     -1.521038      6.484292
  H      -5.323702     -1.492160      8.039007
  H      -7.494598     -2.042351      6.627238
  H      -6.267114     -3.339051      6.837900
  H      -9.879857     -0.211834      3.997443
  H      -8.444856     -1.458269     -0.231916
  H      -6.456645     -2.813322     -1.013630
  H      -4.884585     -3.736449      0.683423
  N      -4.991057      1.023654      3.454070
  H      -5.532113      1.739207      2.952348
  H      -5.707604      0.335142      3.721352
  H      -4.422343      0.546309      2.728294
99
Coordinates from ORCA-job orca E -6478.947158501160
  N      -4.064532      3.870359      4.875777
  Mo     -3.818722      1.906593      5.201625
  N      -4.795543      1.098720      6.723357
  C      -4.233089      1.297027      8.063567
  C      -3.429986      2.591950      8.082133
  N      -2.598938      2.687687      6.847686
  C      -2.270099      4.097949      6.504593
  C      -3.472542      4.769880      5.863963
  C      -1.365581      1.850067      6.940596
  C      -0.935804      1.434793      5.533140
  N      -2.111743      0.972564      4.802654
  H      -3.140737      5.713198      5.387921
  H      -4.204118      5.061657      6.645360
  H      -1.448302      4.059544      5.778004
  H      -1.922954      4.645171      7.400120
  H      -0.172623      0.639642      5.612699
  H      -0.447821      2.284392      5.020195
  H      -1.628368      0.952757      7.517224
  H      -0.576710      2.399364      7.486768
  H      -5.035554      1.365538      8.824703
  H      -3.593064      0.444540      8.371843
  H      -4.121715      3.444871      8.060758
  H      -2.799477      2.675779      8.986692
  C      -5.118091      4.508270      4.090795
  C      -6.461007      4.675095      4.828622
  C      -7.152106      3.354402      5.117915
  O      -7.462963      2.694321      3.856697
  C      -8.716018      2.749795      3.381278
  N      -9.720545      3.139225      4.148603
  C     -10.962240      3.113088      3.600360
  N     -11.302540      2.755241      2.375084
  C     -10.262730      2.384064      1.562111
  C     -10.507115      2.028823      0.214786
  C      -9.433201      1.702096     -0.589312
  C      -8.131679      1.712790     -0.045679
  N      -7.856359      2.024771      1.221326
  C      -8.909101      2.359732      2.012131
  C      -2.082083     -0.387816      4.282220
  C      -1.669742     -0.471794      2.803297
  C      -2.196049     -1.751950      2.172100
  O      -2.153048     -1.722836      0.720044
  C      -3.111529     -1.032927      0.092868
  N      -4.009550     -0.327511      0.773415
  C      -4.956516      0.327651      0.059546
  N      -5.113399      0.351725     -1.250111
  C      -4.208244     -0.389477     -1.966393
  C      -4.297842     -0.461487     -3.375078
  C      -3.378834     -1.236397     -4.063205
  C      -2.389648     -1.932788     -3.340539
  N      -2.261979     -1.888324     -2.016828
  C      -3.155571     -1.121254     -1.339940
  C      -5.895386      0.151715      6.686889
  C      -5.482473     -1.305941      6.964126
  C      -6.479193     -2.320615      6.429073
  O      -6.293007     -2.473695      4.992572
  C      -7.193013     -1.963747      4.143592
  N      -8.234070     -1.274303      4.569465
  C      -9.095969     -0.810893      3.627470
  N      -9.030587     -0.962757      2.317984
  C      -7.949175     -1.669562      1.862450
  C      -7.774057     -1.894521      0.477509
  C      -6.669467     -2.614633      0.057220
  C      -5.762362     -3.110558      1.016732
  N      -5.888076     -2.926116      2.329621
  C      -6.965170     -2.212183      2.743568
  H      -4.775721      5.509835      3.760468
  H      -5.288730      3.920885      3.174478
  H      -6.297820      5.193888      5.788331
  H      -7.134750      5.315112      4.234241
  H      -8.073596      3.485039      5.697089
  H      -6.475472      2.658969      5.639365
  H     -11.773520      3.428786      4.264782
  H     -11.534821      2.034169     -0.152928
  H      -9.574456      1.443164     -1.640128
  H      -7.281800      1.458720     -0.686317
  H      -1.425277     -1.026114      4.904006
  H      -3.093067     -0.825167      4.376949
  H      -0.577263     -0.396145      2.688737
  H      -2.113955      0.391967      2.290563
  H      -3.233363     -1.942736      2.488127
  H      -1.581475     -2.623461      2.432609
  H      -5.673409      0.902999      0.656689
  H      -5.091487      0.090146     -3.879120
  H      -3.413479     -1.321906     -5.151153
  H      -1.668314     -2.560813     -3.873626
  H      -6.367143      0.206887      5.697419
  H      -6.688175      0.436823      7.409578
  H      -4.503439     -1.497526      6.494614
  H      -5.357395     -1.474518      8.044148
  H      -7.518066     -2.030506      6.631378
  H      -6.289349     -3.322742      6.833180
  H      -9.941830     -0.227618      4.010236
  H      -8.509272     -1.488037     -0.217761
  H      -6.487632     -2.796286     -1.003824
  H      -4.883364     -3.678218      0.691459
  N      -4.996302      1.011733      3.459454
  H      -5.548036      1.727747      2.971913
  H      -5.704518      0.319567      3.723314
  H      -4.437078      0.545736      2.722659
99
Coordinates from ORCA-job orca E -6478.947705490690
  N      -4.038440      3.846750      4.851679
  Mo     -3.817837      1.886344      5.215177
  N      -4.816419      1.115320      6.740363
  C      -4.263176      1.329339      8.081531
  C      -3.444932      2.614107      8.084220
  N      -2.600848      2.676895      6.855865
  C      -2.248837      4.075211      6.488799
  C      -3.440126      4.753165      5.830010
  C      -1.380024      1.824284      6.971001
  C      -0.944642      1.377364      5.575015
  N      -2.121663      0.924396      4.840934
  H      -3.093076      5.684626      5.341521
  H      -4.171696      5.067022      6.603436
  H      -1.424480      4.011045      5.766597
  H      -1.897401      4.634116      7.375258
  H      -0.197687      0.569258      5.675843
  H      -0.433718      2.208122      5.053984
  H      -1.657979      0.940103      7.559977
  H      -0.587722      2.371553      7.513101
  H      -5.071143      1.419858      8.834111
  H      -3.636316      0.474691      8.410328
  H      -4.125764      3.474577      8.038573
  H      -2.822560      2.707277      8.993158
  C      -5.078534      4.485129      4.049857
  C      -6.425062      4.678547      4.776449
  C      -7.133212      3.371202      5.081857
  O      -7.447402      2.699581      3.828403
  C      -8.705347      2.738011      3.365853
  N      -9.706202      3.124424      4.140790
  C     -10.952357      3.086301      3.605585
  N     -11.300808      2.719244      2.386796
  C     -10.266646      2.349802      1.565783
  C     -10.521719      1.982492      0.224458
  C      -9.454679      1.651371     -0.585634
  C      -8.147134      1.674096     -0.054486
  N      -7.862523      1.998987      1.205640
  C      -8.909465      2.335623      2.002325
  C      -2.087422     -0.421021      4.283532
  C      -1.672700     -0.465378      2.803424
  C      -2.184190     -1.736536      2.141777
  O      -2.133843     -1.678182      0.690361
  C      -3.100356     -0.995089      0.070278
  N      -4.008948     -0.310841      0.757103
  C      -4.967760      0.334946      0.048972
  N      -5.124470      0.367505     -1.260435
  C      -4.205562     -0.351337     -1.983941
  C      -4.296613     -0.415471     -3.392617
  C      -3.366011     -1.168918     -4.086937
  C      -2.361138     -1.850732     -3.371031
  N      -2.232717     -1.813775     -2.047665
  C      -3.140405     -1.069113     -1.363930
  C      -5.914150      0.165647      6.706008
  C      -5.499027     -1.289559      6.993990
  C      -6.488222     -2.310322      6.456502
  O      -6.298373     -2.460662      5.019471
  C      -7.201061     -1.956484      4.168681
  N      -8.246603     -1.265375      4.595005
  C      -9.113837     -0.810314      3.654752
  N      -9.051318     -0.973480      2.347389
  C      -7.964811     -1.675321      1.890468
  C      -7.791548     -1.900191      0.505988
  C      -6.678506     -2.604325      0.082765
  C      -5.761508     -3.081460      1.038265
  N      -5.886259     -2.899621      2.351078
  C      -6.972278     -2.203975      2.768583
  H      -4.722606      5.477061      3.705521
  H      -5.251248      3.886974      3.142664
  H      -6.262881      5.210808      5.727916
  H      -7.087570      5.315325      4.167412
  H      -8.055193      3.518439      5.655050
  H      -6.467204      2.675807      5.615525
  H     -11.760225      3.398229      4.277231
  H     -11.552548      1.980307     -0.133299
  H      -9.605751      1.379480     -1.631806
  H      -7.301677      1.416061     -0.699239
  H      -1.429160     -1.073584      4.888961
  H      -3.097052     -0.863845      4.364191
  H      -0.581001     -0.375513      2.693259
  H      -2.125851      0.405271      2.310191
  H      -3.221465     -1.942455      2.447644
  H      -1.563329     -2.607253      2.387818
  H      -5.693844      0.893065      0.650649
  H      -5.101667      0.124797     -3.891180
  H      -3.402342     -1.248769     -5.174524
  H      -1.629774     -2.461616     -3.909441
  H      -6.381333      0.213612      5.713552
  H      -6.710290      0.454729      7.423551
  H      -4.515448     -1.479947      6.533023
  H      -5.381358     -1.451926      8.076805
  H      -7.529125     -2.027359      6.656642
  H      -6.292734     -3.311845      6.860487
  H      -9.963413     -0.235918      4.038805
  H      -8.533942     -1.498665     -0.188504
  H      -6.497029     -2.783076     -0.978109
  H      -4.875306     -3.631771      0.709687
  N      -4.999625      0.986951      3.476608
  H      -5.571285      1.700667      3.005654
  H      -5.691323      0.277340      3.743348
  H      -4.441325      0.540908      2.728601
99
Coordinates from ORCA-job orca E -6478.948230677363
  N      -4.012813      3.814884      4.819657
  Mo     -3.818953      1.860490      5.227149
  N      -4.838030      1.133443      6.756947
  C      -4.290716      1.359380      8.096847
  C      -3.453904      2.630980      8.083056
  N      -2.600307      2.661971      6.860269
  C      -2.230900      4.047377      6.466613
  C      -3.410648      4.729036      5.787492
  C      -1.392332      1.798064      6.995426
  C      -0.956272      1.315118      5.612341
  N      -2.136153      0.866850      4.882128
  H      -3.047562      5.648595      5.287418
  H      -4.142769      5.066865      6.551487
  H      -1.404835      3.959471      5.748730
  H      -1.875389      4.621355      7.341467
  H      -0.223757      0.496901      5.734314
  H      -0.426580      2.125145      5.077081
  H      -1.680015      0.926435      7.598372
  H      -0.594316      2.344168      7.529412
  H      -5.101978      1.475323      8.841723
  H      -3.681026      0.500033      8.443855
  H      -4.123047      3.499115      8.017671
  H      -2.837484      2.731440      8.994248
  C      -5.035679      4.454124      3.999856
  C      -6.383145      4.685127      4.716072
  C      -7.112994      3.396684      5.044095
  O      -7.439670      2.713330      3.799247
  C      -8.706408      2.729529      3.359050
  N      -9.698275      3.116831      4.143942
  C     -10.949114      3.068741      3.624896
  N     -11.310039      2.692032      2.413957
  C     -10.287215      2.320599      1.581863
  C     -10.557347      1.941162      0.247042
  C      -9.498816      1.604007     -0.572077
  C      -8.184492      1.637477     -0.057059
  N      -7.886362      1.975225      1.195830
  C      -8.926241      2.314430      2.001621
  C      -2.091668     -0.459538      4.282483
  C      -1.666856     -0.464823      2.803938
  C      -2.160415     -1.727422      2.110532
  O      -2.097528     -1.639065      0.661751
  C      -3.071187     -0.961078      0.050079
  N      -3.987804     -0.299707      0.746625
  C      -4.956816      0.339057      0.046622
  N      -5.117081      0.382458     -1.262342
  C      -4.188057     -0.311604     -1.996736
  C      -4.288287     -0.367011     -3.404628
  C      -3.345305     -1.093937     -4.108787
  C      -2.315884     -1.755964     -3.403756
  N      -2.183672     -1.730077     -2.080865
  C      -3.107208     -1.014236     -1.386651
  C      -5.940312      0.188910      6.730495
  C      -5.530620     -1.264956      7.032462
  C      -6.507698     -2.289643      6.484913
  O      -6.303392     -2.440298      5.046432
  C      -7.209516     -1.947110      4.189550
  N      -8.266483     -1.267959      4.615856
  C      -9.140361     -0.830223      3.676032
  N      -9.076162     -1.000671      2.370004
  C      -7.979507     -1.683152      1.911924
  C      -7.805850     -1.908122      0.527669
  C      -6.679258     -2.592268      0.102786
  C      -5.750350     -3.050098      1.056873
  N      -5.876730     -2.869219      2.369531
  C      -6.976180     -2.191527      2.788800
  H      -4.662007      5.432324      3.637787
  H      -5.214284      3.842462      3.103469
  H      -6.220657      5.235460      5.656392
  H      -7.031665      5.317451      4.088971
  H      -8.031910      3.566991      5.616493
  H      -6.457212      2.699069      5.589209
  H     -11.747480      3.383091      4.303972
  H     -11.591624      1.934521     -0.097717
  H      -9.661339      1.319283     -1.613414
  H      -7.344260      1.377354     -0.709332
  H      -1.432393     -1.124829      4.872876
  H      -3.099160     -0.909304      4.343248
  H      -0.575884     -0.361103      2.704317
  H      -2.126361      0.410842      2.325977
  H      -3.199687     -1.943250      2.400775
  H      -1.536510     -2.599287      2.344332
  H      -5.693006      0.875216      0.655217
  H      -5.110873      0.159020     -3.893592
  H      -3.387632     -1.166850     -5.195897
  H      -1.570015     -2.342768     -3.951046
  H      -6.404280      0.231132      5.735742
  H      -6.736129      0.490420      7.443874
  H      -4.537622     -1.456506      6.589512
  H      -5.431372     -1.422075      8.119867
  H      -7.554188     -2.013171      6.675141
  H      -6.307294     -3.290548      6.893925
  H      -9.997898     -0.270635      4.061547
  H      -8.557941     -1.529451     -0.162376
  H      -6.497042     -2.773718     -0.956698
  H      -4.855322     -3.589192      0.728203
  N      -5.008592      0.962976      3.491523
  H      -5.592549      1.674152      3.029451
  H      -5.692709      0.245625      3.770171
  H      -4.450467      0.525985      2.741143
99
Coordinates from ORCA-job orca E -6478.948748429513
  N      -3.985403      3.780893      4.793829
  Mo     -3.817513      1.832627      5.242435
  N      -4.852135      1.147461      6.778272
  C      -4.305463      1.384404      8.115952
  C      -3.452921      2.644574      8.086687
  N      -2.595239      2.646146      6.866494
  C      -2.207033      4.018155      6.447134
  C      -3.376540      4.702598      5.750819
  C      -1.398086      1.770402      7.017027
  C      -0.964750      1.257598      5.643155
  N      -2.149315      0.811794      4.918121
  H      -2.998753      5.610075      5.238602
  H      -4.107167      5.063962      6.506232
  H      -1.379427      3.906476      5.733073
  H      -1.845908      4.605842      7.310720
  H      -0.244113      0.431121      5.782445
  H      -0.420114      2.050603      5.094928
  H      -1.694975      0.910412      7.633322
  H      -0.592731      2.314502      7.543032
  H      -5.117116      1.522362      8.856650
  H      -3.708859      0.521368      8.476467
  H      -4.111574      3.520173      8.007261
  H      -2.838613      2.750402      8.998607
  C      -4.991269      4.422475      3.955399
  C      -6.341783      4.688905      4.654723
  C      -7.098473      3.418563      4.998207
  O      -7.430892      2.721540      3.762278
  C      -8.700795      2.718074      3.334534
  N      -9.688747      3.104629      4.123338
  C     -10.943785      3.037580      3.616448
  N     -11.311914      2.644513      2.413406
  C     -10.293479      2.272959      1.576967
  C     -10.571324      1.875155      0.249259
  C      -9.516555      1.533576     -0.572314
  C      -8.198651      1.579973     -0.067093
  N      -7.893346      1.937745      1.177822
  C      -8.929037      2.282441      1.985834
  C      -2.096862     -0.496783      4.281931
  C      -1.665761     -0.461836      2.804245
  C      -2.146012     -1.710595      2.076863
  O      -2.075002     -1.589315      0.630707
  C      -3.056372     -0.913820      0.029226
  N      -3.981708     -0.274004      0.734973
  C      -4.961606      0.358169      0.043259
  N      -5.125382      0.412414     -1.264588
  C      -4.187694     -0.258816     -2.007864
  C      -4.288951     -0.301189     -3.416283
  C      -3.334134     -1.002720     -4.130183
  C      -2.293886     -1.652884     -3.433757
  N      -2.159795     -1.639607     -2.110961
  C      -3.093389     -0.948735     -1.407949
  C      -5.960391      0.208810      6.759754
  C      -5.560280     -1.245456      7.071961
  C      -6.533919     -2.271086      6.522935
  O      -6.329275     -2.415415      5.083957
  C      -7.237927     -1.931433      4.224156
  N      -8.305028     -1.265629      4.644763
  C      -9.178572     -0.837050      3.699228
  N      -9.106420     -1.008939      2.392977
  C      -8.000781     -1.682152      1.941931
  C      -7.817971     -1.912847      0.559076
  C      -6.678681     -2.577284      0.140873
  C      -5.746024     -3.013924      1.100361
  N      -5.881976     -2.833489      2.412189
  C      -6.994585     -2.173240      2.825153
  H      -4.598419      5.388086      3.579092
  H      -5.174544      3.799830      3.067143
  H      -6.178768      5.254002      5.586795
  H      -6.973375      5.321768      4.008711
  H      -8.017999      3.611052      5.561519
  H      -6.457291      2.718495      5.559792
  H     -11.738593      3.351246      4.299233
  H     -11.608737      1.857728     -0.087372
  H      -9.685196      1.233885     -1.607923
  H      -7.360328      1.316539     -0.720684
  H      -1.436392     -1.173827      4.857734
  H      -3.102229     -0.952038      4.325988
  H      -0.575102     -0.347820      2.711346
  H      -2.130592      0.421521      2.345018
  H      -3.186605     -1.937996      2.355172
  H      -1.517493     -2.583751      2.294291
  H      -5.704915      0.875595      0.657510
  H      -5.119963      0.216027     -3.897681
  H      -3.375915     -1.064977     -5.218332
  H      -1.538118     -2.217899     -3.989319
  H      -6.424418      0.249030      5.764625
  H      -6.752530      0.521891      7.472198
  H      -4.564964     -1.441551      6.638526
  H      -5.470514     -1.398098      8.161115
  H      -7.580457     -2.001267      6.715424
  H      -6.328499     -3.272269      6.927585
  H     -10.042218     -0.281198      4.079314
  H      -8.571974     -1.550722     -0.135115
  H      -6.488320     -2.759538     -0.917705
  H      -4.840875     -3.536305      0.776308
  N      -5.016720      0.932768      3.512970
  H      -5.616418      1.639266      3.064479
  H      -5.682524      0.203076      3.796213
  H      -4.459942      0.507370      2.753715
99
Coordinates from ORCA-job orca E -6478.949276996157
  N      -3.966034      3.741475      4.759784
  Mo     -3.820869      1.798953      5.246079
  N      -4.869818      1.154484      6.788811
  C      -4.320863      1.401950      8.123728
  C      -3.454934      2.653143      8.079943
  N      -2.596896      2.628725      6.862036
  C      -2.194540      3.988935      6.416468
  C      -3.350731      4.673410      5.701882
  C      -1.408112      1.744937      7.029532
  C      -0.976450      1.201437      5.666717
  N      -2.165887      0.754085      4.950414
  H      -2.956426      5.566043      5.175501
  H      -4.079506      5.062301      6.445182
  H      -1.364910      3.856137      5.707313
  H      -1.829624      4.591366      7.268796
  H      -0.266839      0.368678      5.826724
  H      -0.418852      1.976208      5.102958
  H      -1.712266      0.898196      7.661542
  H      -0.595935      2.289365      7.545947
  H      -5.131223      1.560824      8.862199
  H      -3.734951      0.535850      8.494488
  H      -4.106078      3.534513      7.992103
  H      -2.840917      2.764177      8.991587
  C      -4.953284      4.384889      3.902576
  C      -6.301630      4.695903      4.587436
  C      -7.085324      3.450397      4.958978
  O      -7.430036      2.736013      3.736007
  C      -8.705759      2.712391      3.326634
  N      -9.686700      3.094103      4.126620
  C     -10.949337      3.008344      3.638320
  N     -11.330112      2.603496      2.442487
  C     -10.318550      2.236799      1.594093
  C     -10.609043      1.829268      0.272324
  C      -9.560516      1.489673     -0.559611
  C      -8.238323      1.544252     -0.070421
  N      -7.920359      1.913739      1.168067
  C      -8.948385      2.260088      1.985829
  C      -2.099738     -0.536972      4.286094
  C      -1.655920     -0.465212      2.814083
  C      -2.123992     -1.698789      2.055485
  O      -2.043800     -1.545382      0.612908
  C      -3.029646     -0.871915      0.015437
  N      -3.966027     -0.250276      0.723159
  C      -4.954500      0.371346      0.032569
  N      -5.118378      0.429627     -1.275415
  C      -4.168374     -0.219752     -2.019982
  C      -4.265791     -0.255205     -3.429739
  C      -3.293290     -0.930233     -4.147036
  C      -2.241410     -1.561542     -3.452078
  N      -2.112237     -1.557068     -2.127876
  C      -3.062151     -0.892838     -1.422223
  C      -5.985389      0.222774      6.784223
  C      -5.591135     -1.231152      7.107633
  C      -6.558367     -2.258418      6.552511
  O      -6.344873     -2.393462      5.115582
  C      -7.256065     -1.917185      4.256197
  N      -8.331614     -1.268509      4.677505
  C      -9.207019     -0.845030      3.731049
  N      -9.130748     -1.011641      2.424237
  C      -8.017924     -1.675418      1.973926
  C      -7.830546     -1.905104      0.590999
  C      -6.679387     -2.547260      0.173609
  C      -5.739482     -2.966564      1.134295
  N      -5.880808     -2.791914      2.446424
  C      -7.005800     -2.152352      2.858344
  H      -4.537827      5.334238      3.508924
  H      -5.143627      3.748430      3.023738
  H      -6.132932      5.281852      5.506500
  H      -6.916592      5.325210      3.921604
  H      -8.002562      3.671455      5.515913
  H      -6.457380      2.752045      5.538579
  H     -11.739020      3.316102      4.331886
  H     -11.650922      1.802858     -0.051081
  H      -9.737774      1.183195     -1.590759
  H      -7.405417      1.281098     -0.730852
  H      -1.440367     -1.222699      4.853085
  H      -3.102889     -0.997241      4.310506
  H      -0.565332     -0.341820      2.730029
  H      -2.123687      0.424762      2.370115
  H      -3.166651     -1.933946      2.320993
  H      -1.493290     -2.574061      2.259072
  H      -5.708473      0.871370      0.647467
  H      -5.107186      0.246985     -3.908977
  H      -3.330772     -0.985939     -5.236767
  H      -1.471389     -2.103037     -4.010237
  H      -6.453767      0.258928      5.790638
  H      -6.770772      0.549354      7.497512
  H      -4.592061     -1.428160      6.685655
  H      -5.512226     -1.381014      8.196201
  H      -7.606681     -1.995130      6.741973
  H      -6.350026     -3.259614      6.952546
  H     -10.076445     -0.298065      4.111133
  H      -8.589501     -1.547228     -0.107161
  H      -6.482776     -2.719876     -0.886729
  H      -4.823834     -3.466784      0.809260
  N      -5.025347      0.896298      3.518859
  H      -5.642811      1.596738      3.088989
  H      -5.670608      0.147591      3.797347
  H      -4.467758      0.490145      2.749735
99
Coordinates from ORCA-job orca E -6478.949760403796
  N      -3.941322      3.702872      4.725767
  Mo     -3.822559      1.767611      5.250419
  N      -4.887430      1.170617      6.801019
  C      -4.336842      1.431376      8.132829
  C      -3.452045      2.669971      8.070354
  N      -2.592420      2.612734      6.854614
  C      -2.170194      3.957230      6.382767
  C      -3.313815      4.643554      5.650791
  C      -1.415402      1.717474      7.041050
  C      -0.987455      1.141290      5.690759
  N      -2.182311      0.696541      4.981698
  H      -2.903828      5.518869      5.107960
  H      -4.037780      5.059863      6.382625
  H      -1.339498      3.800089      5.680054
  H      -1.799598      4.571194      7.224260
  H      -0.292232      0.300554      5.872801
  H      -0.414959      1.894863      5.112649
  H      -1.731739      0.888319      7.690023
  H      -0.595985      2.260706      7.547141
  H      -5.145674      1.615071      8.867714
  H      -3.763483      0.562524      8.517305
  H      -4.091310      3.559042      7.969553
  H      -2.837983      2.786328      8.981875
  C      -4.913889      4.345582      3.851659
  C      -6.257638      4.696705      4.523669
  C      -7.062960      3.475388      4.924693
  O      -7.421687      2.743489      3.716276
  C      -8.703447      2.701938      3.325494
  N      -9.677794      3.083839      4.133433
  C     -10.945916      2.983665      3.660737
  N     -11.337675      2.565578      2.472241
  C     -10.332833      2.196252      1.616758
  C     -10.635166      1.771363      0.302573
  C      -9.594632      1.423367     -0.535116
  C      -8.267725      1.488726     -0.059264
  N      -7.938655      1.877336      1.170868
  C      -8.958805      2.230726      1.994103
  C      -2.108179     -0.578089      4.288630
  C      -1.657447     -0.470033      2.820863
  C      -2.110993     -1.686833      2.028839
  O      -2.020581     -1.498307      0.590670
  C      -3.012124     -0.826672     -0.000534
  N      -3.959181     -0.227226      0.712028
  C      -4.955854      0.387374      0.027147
  N      -5.117428      0.457723     -1.279878
  C      -4.152536     -0.165222     -2.029940
  C      -4.246339     -0.186927     -3.439578
  C      -3.261431     -0.835944     -4.162178
  C      -2.196921     -1.452484     -3.473515
  N      -2.070856     -1.461800     -2.149666
  C      -3.037078     -0.826473     -1.438124
  C      -6.013074      0.250097      6.806415
  C      -5.632072     -1.204254      7.142894
  C      -6.598632     -2.230123      6.584227
  O      -6.378003     -2.364475      5.148026
  C      -7.290326     -1.903255      4.280812
  N      -8.380626     -1.274723      4.690578
  C      -9.253294     -0.868370      3.733628
  N      -9.163200     -1.037032      2.426999
  C      -8.034715     -1.677595      1.989408
  C      -7.830538     -1.908925      0.608718
  C      -6.662079     -2.531178      0.205679
  C      -5.721340     -2.926724      1.177562
  N      -5.878728     -2.749100      2.487712
  C      -7.021495     -2.132412      2.886086
  H      -4.479560      5.277979      3.438617
  H      -5.111820      3.693970      2.986196
  H      -6.081483      5.302087      5.428439
  H      -6.858884      5.319358      3.840644
  H      -7.975926      3.724439      5.476735
  H      -6.446817      2.780720      5.519988
  H     -11.730123      3.290972      4.361201
  H     -11.680115      1.736128     -0.010353
  H      -9.782040      1.101334     -1.561038
  H      -7.440611      1.215951     -0.721312
  H      -1.449664     -1.275327      4.842607
  H      -3.110412     -1.040141      4.297872
  H      -0.567380     -0.335847      2.743655
  H      -2.131192      0.426164      2.395494
  H      -3.153848     -1.935601      2.280455
  H      -1.475678     -2.562048      2.217274
  H      -5.718303      0.870105      0.644690
  H      -5.096751      0.303906     -3.914021
  H      -3.296893     -0.880777     -5.251655
  H      -1.413407     -1.969444     -4.036609
  H      -6.482101      0.283202      5.813140
  H      -6.793487      0.592127      7.517804
  H      -4.630477     -1.409646      6.730530
  H      -5.564297     -1.348150      8.232954
  H      -7.647813     -1.966574      6.769619
  H      -6.392018     -3.231290      6.985759
  H     -10.134436     -0.334856      4.103522
  H      -8.590621     -1.574043     -0.098226
  H      -6.452416     -2.707084     -0.851676
  H      -4.792216     -3.412057      0.863811
  N      -5.033640      0.860575      3.531026
  H      -5.663935      1.556631      3.112778
  H      -5.663184      0.103378      3.817347
  H      -4.481828      0.463334      2.751767
99
Coordinates from ORCA-job orca E -6478.950208933943
  N      -3.920017      3.667934      4.696759
  Mo     -3.827854      1.741021      5.259162
  N      -4.908824      1.187521      6.816142
  C      -4.355475      1.461410      8.144882
  C      -3.452100      2.686663      8.063707
  N      -2.591789      2.597119      6.850592
  C      -2.152790      3.928896      6.357695
  C      -3.284199      4.615744      5.609421
  C      -1.426312      1.689416      7.054802
  C      -1.002141      1.086064      5.715756
  N      -2.201397      0.644641      5.011512
  H      -2.860520      5.475661      5.053558
  H      -4.005595      5.054108      6.329703
  H      -1.320893      3.751101      5.662943
  H      -1.778824      4.551097      7.191557
  H      -0.320430      0.238395      5.917120
  H      -0.416561      1.820522      5.127064
  H      -1.756915      0.878055      7.717954
  H      -0.601255      2.230523      7.553022
  H      -5.161528      1.667219      8.876962
  H      -3.792563      0.591172      8.541564
  H      -4.078405      3.582850      7.948173
  H      -2.837350      2.808596      8.974281
  C      -4.875952      4.310926      3.804714
  C      -6.215119      4.695393      4.463061
  C      -7.042610      3.494995      4.882946
  O      -7.410396      2.751383      3.683885
  C      -8.697272      2.692954      3.311704
  N      -9.663816      3.073452      4.129716
  C     -10.936461      2.962373      3.673578
  N     -11.340428      2.533257      2.492895
  C     -10.344405      2.161214      1.628600
  C     -10.661645      1.721179      0.322554
  C      -9.630654      1.371380     -0.525731
  C      -8.296801      1.451746     -0.068946
  N      -7.954180      1.854189      1.153319
  C      -8.965881      2.207819      1.987255
  C      -2.120989     -0.614074      4.289887
  C      -1.662814     -0.473848      2.827530
  C      -2.104931     -1.675832      2.008595
  O      -2.004675     -1.457683      0.575075
  C      -3.000383     -0.787467     -0.012573
  N      -3.955092     -0.205932      0.702800
  C      -4.958707      0.402575      0.022178
  N      -5.120309      0.481243     -1.283985
  C      -4.144563     -0.119756     -2.037303
  C      -4.235245     -0.129291     -3.447145
  C      -3.236779     -0.752897     -4.174460
  C      -2.163572     -1.357136     -3.489508
  N      -2.040925     -1.379037     -2.165604
  C      -3.019482     -0.769140     -1.449912
  C      -6.038376      0.271091      6.830994
  C      -5.658366     -1.181052      7.179247
  C      -6.617476     -2.211958      6.612480
  O      -6.385585     -2.346152      5.177987
  C      -7.300421     -1.898377      4.305896
  N      -8.399092     -1.280266      4.712096
  C      -9.273453     -0.887009      3.752660
  N      -9.179310     -1.058623      2.447222
  C      -8.041577     -1.683108      2.012816
  C      -7.833009     -1.910081      0.632628
  C      -6.654229     -2.513587      0.231602
  C      -5.708150     -2.894461      1.205305
  N      -5.869856     -2.720454      2.515746
  C      -7.023323     -2.122992      2.911811
  H      -4.423210      5.228518      3.378676
  H      -5.077709      3.648288      2.949086
  H      -6.032365      5.313139      5.358250
  H      -6.802153      5.315843      3.765935
  H      -7.952959      3.770823      5.426118
  H      -6.442872      2.799632      5.493843
  H     -11.712740      3.270801      4.380822
  H     -11.709964      1.676013      0.023665
  H      -9.829874      1.037639     -1.546040
  H      -7.475633      1.179190     -0.739668
  H      -1.464203     -1.323192      4.830907
  H      -3.123145     -1.076546      4.285244
  H      -0.573237     -0.332026      2.756953
  H      -2.139460      0.428532      2.418647
  H      -3.147552     -1.935413      2.247897
  H      -1.467082     -2.551916      2.184307
  H      -5.727463      0.872620      0.642996
  H      -5.092552      0.351318     -3.918258
  H      -3.268476     -0.786882     -5.264622
  H      -1.368267     -1.851697     -4.056073
  H      -6.508568      0.296388      5.838027
  H      -6.816442      0.622607      7.539823
  H      -4.650984     -1.386134      6.778781
  H      -5.602531     -1.319363      8.270404
  H      -7.669901     -1.952414      6.789025
  H      -6.409703     -3.212276      7.016877
  H     -10.161762     -0.357493      4.118941
  H      -8.597996     -1.592712     -0.074242
  H      -6.440959     -2.687896     -0.824723
  H      -4.770700     -3.366679      0.893125
  N      -5.045166      0.831830      3.546764
  H      -5.697752      1.518640      3.144975
  H      -5.652690      0.055866      3.836446
  H      -4.497015      0.455409      2.755834
99
Coordinates from ORCA-job orca E -6478.950620446561
  N      -3.894888      3.635306      4.666598
  Mo     -3.830450      1.717764      5.262645
  N      -4.928951      1.210505      6.824880
  C      -4.376500      1.499025      8.150663
  C      -3.453190      2.708785      8.051143
  N      -2.587829      2.584343      6.843560
  C      -2.126727      3.901101      6.330453
  C      -3.246774      4.589738      5.564931
  C      -1.435271      1.664005      7.068111
  C      -1.013676      1.034982      5.740518
  N      -2.216751      0.598039      5.040058
  H      -2.809667      5.432815      4.993518
  H      -3.964534      5.050624      6.274983
  H      -1.291609      3.699632      5.645539
  H      -1.749316      4.530201      7.157266
  H      -0.345211      0.180856      5.959209
  H      -0.416066      1.751662      5.142677
  H      -1.782842      0.870972      7.744171
  H      -0.605664      2.203040      7.560569
  H      -5.181270      1.727507      8.877244
  H      -3.824694      0.628438      8.562310
  H      -4.063434      3.612643      7.915667
  H      -2.840313      2.836027      8.962354
  C      -4.838019      4.275432      3.758357
  C      -6.171121      4.693227      4.406374
  C      -7.021259      3.516255      4.848958
  O      -7.401191      2.756572      3.663907
  C      -8.693759      2.684777      3.312173
  N      -9.651157      3.067809      4.139256
  C     -10.928984      2.948558      3.699469
  N     -11.346405      2.508646      2.526849
  C     -10.359827      2.129652      1.655251
  C     -10.691049      1.676361      0.356964
  C      -9.669251      1.321285     -0.500263
  C      -8.330767      1.408434     -0.059676
  N      -7.975345      1.824420      1.154170
  C      -8.977470      2.183558      1.996727
  C      -2.132623     -0.646708      4.293134
  C      -1.667874     -0.476698      2.836868
  C      -2.096099     -1.665102      1.992062
  O      -1.985782     -1.419345      0.563940
  C      -2.986461     -0.751905     -0.020321
  N      -3.954175     -0.194848      0.699104
  C      -4.961777      0.408783      0.022050
  N      -5.116928      0.501002     -1.284642
  C      -4.128243     -0.072872     -2.041648
  C      -4.214680     -0.066053     -3.451588
  C      -3.202016     -0.660175     -4.183164
  C      -2.115655     -1.248615     -3.502552
  N      -1.998776     -1.287427     -2.178293
  C      -2.993814     -0.709286     -1.458011
  C      -6.060998      0.296649      6.844873
  C      -5.686029     -1.154142      7.202327
  C      -6.643977     -2.183755      6.630211
  O      -6.403242     -2.321559      5.197977
  C      -7.320388     -1.890112      4.319238
  N      -8.428614     -1.283740      4.718834
  C      -9.304800     -0.909511      3.755557
  N      -9.205926     -1.093059      2.452377
  C      -8.057607     -1.703080      2.023827
  C      -7.842867     -1.936032      0.646091
  C      -6.654004     -2.527015      0.250520
  C      -5.703876     -2.886173      1.226940
  N      -5.870459     -2.703230      2.535372
  C      -7.034804     -2.120344      2.926466
  H      -4.368643      5.176774      3.316150
  H      -5.046336      3.598963      2.915832
  H      -5.979124      5.323494      5.290220
  H      -6.746435      5.309859      3.696763
  H      -7.927248      3.823118      5.383381
  H      -6.439000      2.822014      5.477041
  H     -11.697251      3.260899      4.412509
  H     -11.742106      1.625485      0.070231
  H      -9.879369      0.977434     -1.514572
  H      -7.515288      1.132170     -0.736847
  H      -1.478948     -1.367571      4.822451
  H      -3.135416     -1.107559      4.275706
  H      -0.579513     -0.325877      2.773438
  H      -2.149036      0.430094      2.444314
  H      -3.136575     -1.938597      2.217754
  H      -1.453751     -2.539401      2.156665
  H      -5.736106      0.866450      0.644935
  H      -5.082244      0.401982     -3.919488
  H      -3.230755     -0.681189     -5.273380
  H      -1.306918     -1.716872     -4.072315
  H      -6.529268      0.315331      5.850684
  H      -6.838750      0.656229      7.549808
  H      -4.675699     -1.363090      6.810904
  H      -5.640598     -1.288347      8.294581
  H      -7.696741     -1.921056      6.799095
  H      -6.441599     -3.183654      7.039169
  H     -10.200855     -0.396447      4.116465
  H      -8.612255     -1.632706     -0.064898
  H      -6.436694     -2.706654     -0.803297
  H      -4.758691     -3.346174      0.919423
  N      -5.051126      0.803614      3.560517
  H      -5.719921      1.480571      3.169685
  H      -5.639659      0.017492      3.858758
  H      -4.507490      0.437724      2.759877
99
Coordinates from ORCA-job orca E -6478.950984848475
  N      -3.870927      3.613119      4.644243
  Mo     -3.836100      1.703661      5.265610
  N      -4.951541      1.234134      6.829974
  C      -4.399001      1.532864      8.153348
  C      -3.457640      2.727519      8.040514
  N      -2.587416      2.572074      6.839318
  C      -2.106490      3.876968      6.311866
  C      -3.213766      4.570176      5.533031
  C      -1.449643      1.637349      7.082539
  C      -1.029457      0.988224      5.765141
  N      -2.235292      0.560144      5.063979
  H      -2.765138      5.400147      4.951756
  H      -3.928644      5.047034      6.235545
  H      -1.269961      3.655278      5.635192
  H      -1.726016      4.510298      7.133998
  H      -0.375166      0.126493      5.997448
  H      -0.417976      1.689706      5.162935
  H      -1.815417      0.858802      7.766054
  H      -0.616154      2.171633      7.573845
  H      -5.202179      1.779973      8.875197
  H      -3.857810      0.661359      8.577213
  H      -4.051633      3.638516      7.885714
  H      -2.847340      2.858560      8.952646
  C      -4.801514      4.253692      3.721907
  C      -6.128932      4.700705      4.362353
  C      -6.999097      3.544232      4.819424
  O      -7.390040      2.775543      3.642689
  C      -8.686998      2.687471      3.309433
  N      -9.637885      3.066229      4.146053
  C     -10.920022      2.932014      3.722919
  N     -11.347711      2.479064      2.558930
  C     -10.367692      2.101252      1.678805
  C     -10.709936      1.629962      0.389715
  C      -9.695783      1.272588     -0.475224
  C      -8.353422      1.376466     -0.051593
  N      -7.987920      1.810542      1.152415
  C      -8.982269      2.170893      2.002572
  C      -2.149999     -0.669749      4.292590
  C      -1.678425     -0.474138      2.842185
  C      -2.092593     -1.654367      1.979778
  O      -1.973307     -1.389791      0.555951
  C      -2.976578     -0.724791     -0.027451
  N      -3.950860     -0.182774      0.691828
  C      -4.964081      0.414276      0.015631
  N      -5.118189      0.511745     -1.290424
  C      -4.117504     -0.041654     -2.047624
  C      -4.195337     -0.021447     -3.458040
  C      -3.170070     -0.592815     -4.189915
  C      -2.078547     -1.170698     -3.509114
  N      -1.968575     -1.221746     -2.184665
  C      -2.977153     -0.667553     -1.463909
  C      -6.080361      0.315630      6.853593
  C      -5.700940     -1.133600      7.215528
  C      -6.653536     -2.167710      6.640897
  O      -6.406554     -2.307120      5.210923
  C      -7.329968     -1.892222      4.329628
  N      -8.445683     -1.296435      4.727353
  C      -9.328063     -0.934521      3.764245
  N      -9.229400     -1.123611      2.462158
  C      -8.072612     -1.722159      2.034878
  C      -7.857339     -1.957136      0.658006
  C      -6.660692     -2.528864      0.260860
  C      -5.703361     -2.868219      1.235683
  N      -5.869212     -2.685838      2.544551
  C      -7.042125     -2.121848      2.937311
  H      -4.316817      5.140885      3.268420
  H      -5.017176      3.567381      2.888803
  H      -5.927805      5.338202      5.238918
  H      -6.694272      5.317354      3.644555
  H      -7.900471      3.876783      5.346874
  H      -6.432425      2.848569      5.460995
  H     -11.683734      3.240521      4.444002
  H     -11.764248      1.563458      0.116245
  H      -9.915589      0.910360     -1.481608
  H      -7.544314      1.096664     -0.733737
  H      -1.499458     -1.401509      4.810681
  H      -3.153815     -1.127666      4.264413
  H      -0.590874     -0.313992      2.786701
  H      -2.164200      0.435080      2.460545
  H      -3.132749     -1.939216      2.195195
  H      -1.445219     -2.527192      2.137670
  H      -5.744306      0.863224      0.638640
  H      -5.065652      0.439051     -3.926314
  H      -3.191980     -0.602725     -5.280611
  H      -1.258172     -1.618697     -4.078980
  H      -6.548318      0.327599      5.858791
  H      -6.859267      0.675977      7.556554
  H      -4.687947     -1.338681      6.829883
  H      -5.661720     -1.266129      8.307939
  H      -7.707382     -1.906964      6.803916
  H      -6.451129     -3.166034      7.053681
  H     -10.230481     -0.429096      4.123340
  H      -8.633422     -1.668817     -0.051566
  H      -6.442982     -2.708598     -0.793010
  H      -4.751900     -3.312166      0.926670
  N      -5.061048      0.791550      3.570715
  H      -5.752374      1.456181      3.193410
  H      -5.626942     -0.009502      3.874711
  H      -4.523955      0.445756      2.760305
99
Coordinates from ORCA-job orca E -6478.951320988514
  N      -3.845794      3.590215      4.622072
  Mo     -3.837193      1.689702      5.264976
  N      -4.967892      1.254541      6.830154
  C      -4.417454      1.560859      8.151315
  C      -3.462792      2.742472      8.029371
  N      -2.587057      2.561478      6.835976
  C      -2.087472      3.854746      6.295716
  C      -3.184246      4.550538      5.503638
  C      -1.460908      1.616383      7.096290
  C      -1.040037      0.949696      5.788273
  N      -2.246806      0.527820      5.085662
  H      -2.726445      5.370252      4.914794
  H      -3.897943      5.039628      6.199426
  H      -1.249148      3.615816      5.626857
  H      -1.705758      4.493750      7.112787
  H      -0.395456      0.083299      6.030037
  H      -0.418653      1.639951      5.182933
  H      -1.839787      0.848443      7.784740
  H      -0.625106      2.147108      7.587248
  H      -5.220148      1.823842      8.867635
  H      -3.887096      0.688431      8.587040
  H      -4.042615      3.659194      7.856613
  H      -2.857019      2.877126      8.943424
  C      -4.763703      4.228049      3.685869
  C      -6.089209      4.699765      4.314103
  C      -6.977682      3.562556      4.783456
  O      -7.371557      2.781055      3.617381
  C      -8.671989      2.677498      3.303753
  N      -9.612477      3.058950      4.151087
  C     -10.899674      2.917598      3.746906
  N     -11.341529      2.454212      2.592863
  C     -10.372680      2.071793      1.701677
  C     -10.730711      1.590080      0.421528
  C      -9.726831      1.228985     -0.455105
  C      -8.379126      1.339960     -0.051718
  N      -7.998796      1.784352      1.143568
  C      -8.983011      2.148244      2.005184
  C      -2.160211     -0.689700      4.295918
  C      -1.683754     -0.471070      2.850584
  C      -2.091618     -1.640288      1.969804
  O      -1.968628     -1.356581      0.550222
  C      -2.972523     -0.692481     -0.031037
  N      -3.957028     -0.167811      0.688087
  C      -4.973075      0.423749      0.010553
  N      -5.122304      0.527783     -1.296360
  C      -4.109876     -0.004219     -2.052791
  C      -4.178346      0.030023     -3.464232
  C      -3.137802     -0.515590     -4.194954
  C      -2.043775     -1.083433     -3.511508
  N      -1.943030     -1.148079     -2.186432
  C      -2.964299     -0.618669     -1.467133
  C      -6.094968      0.335172      6.857832
  C      -5.718201     -1.113832      7.226824
  C      -6.672370     -2.146378      6.655328
  O      -6.421695     -2.290258      5.227200
  C      -7.348683     -1.890614      4.342450
  N      -8.469549     -1.303830      4.735792
  C      -9.354338     -0.956873      3.770797
  N      -9.252028     -1.151764      2.470175
  C      -8.089714     -1.741019      2.047233
  C      -7.870430     -1.981337      0.671801
  C      -6.668057     -2.543089      0.278714
  C      -5.709616     -2.867593      1.256534
  N      -5.878305     -2.679060      2.563884
  C      -7.057199     -2.125258      2.952691
  H      -4.264763      5.101902      3.221781
  H      -4.983972      3.531751      2.862805
  H      -5.883988      5.345307      5.182936
  H      -6.644047      5.313445      3.586128
  H      -7.877651      3.916595      5.298184
  H      -6.427168      2.870889      5.442712
  H     -11.654825      3.229933      4.476105
  H     -11.788152      1.519125      0.163649
  H      -9.958602      0.857978     -1.454411
  H      -7.578369      1.057298     -0.743423
  H      -1.512761     -1.430036      4.805958
  H      -3.164416     -1.145278      4.257165
  H      -0.596745     -0.306618      2.801677
  H      -2.171043      0.442451      2.480621
  H      -3.131609     -1.931403      2.178433
  H      -1.441950     -2.512850      2.117956
  H      -5.759509      0.862959      0.633082
  H      -5.051893      0.482348     -3.934867
  H      -3.151250     -0.513626     -5.286268
  H      -1.212847     -1.510949     -4.079880
  H      -6.561880      0.343030      5.862202
  H      -6.874163      0.698376      7.558912
  H      -4.705342     -1.322561      6.845286
  H      -5.683452     -1.242757      8.320319
  H      -7.724240     -1.879816      6.815472
  H      -6.476580     -3.144088      7.072891
  H     -10.260819     -0.454437      4.125217
  H      -8.648196     -1.706349     -0.038938
  H      -6.447220     -2.728021     -0.773719
  H      -4.753995     -3.304753      0.951075
  N      -5.063007      0.773378      3.577984
  H      -5.775812      1.423085      3.219328
  H      -5.600946     -0.047204      3.878805
  H      -4.528695      0.447747      2.756011
99
Coordinates from ORCA-job orca E -6478.951636716990
  N      -3.812133      3.576814      4.603871
  Mo     -3.836397      1.684714      5.259711
  N      -4.985812      1.283080      6.823492
  C      -4.436795      1.591492      8.143683
  C      -3.465310      2.757849      8.018569
  N      -2.583471      2.553498      6.833251
  C      -2.065600      3.836282      6.287549
  C      -3.148577      4.537411      5.482372
  C      -1.471958      1.596672      7.110667
  C      -1.049270      0.915224      5.812215
  N      -2.256019      0.502742      5.105689
  H      -2.681318      5.349347      4.890941
  H      -3.862509      5.034329      6.171547
  H      -1.225125      3.583657      5.627943
  H      -1.684853      4.477537      7.103289
  H      -0.415255      0.042994      6.061367
  H      -0.417148      1.595581      5.206086
  H      -1.866370      0.837895      7.800544
  H      -0.634263      2.121359      7.604741
  H      -5.238863      1.870203      8.855106
  H      -3.920356      0.715362      8.589345
  H      -4.028241      3.681955      7.831184
  H      -2.864584      2.891776      8.936112
  C      -4.717182      4.212745      3.652553
  C      -6.038291      4.712567      4.267708
  C      -6.947177      3.596860      4.748883
  O      -7.350602      2.804365      3.592594
  C      -8.654714      2.676639      3.301381
  N      -9.587093      3.055056      4.157986
  C     -10.878307      2.893193      3.772852
  N     -11.330976      2.411349      2.630110
  C     -10.370335      2.028539      1.730365
  C     -10.739725      1.525943      0.461322
  C      -9.743045      1.164766     -0.424319
  C      -8.391743      1.295377     -0.040097
  N      -7.999912      1.760479      1.144653
  C      -8.976968      2.125814      2.014424
  C      -2.172241     -0.704122      4.299549
  C      -1.691395     -0.473219      2.857021
  C      -2.094586     -1.634761      1.964666
  O      -1.966347     -1.337516      0.548767
  C      -2.972058     -0.672115     -0.028055
  N      -3.963877     -0.162936      0.693782
  C      -4.980688      0.430154      0.019643
  N      -5.128246      0.544939     -1.286348
  C      -4.106919      0.032649     -2.044958
  C      -4.167870      0.087295     -3.455439
  C      -3.112935     -0.431599     -4.188115
  C      -2.016294     -0.995979     -3.506829
  N      -1.923220     -1.080791     -2.182679
  C      -2.956506     -0.576840     -1.462206
  C      -6.110045      0.360776      6.851828
  C      -5.734137     -1.087959      7.224288
  C      -6.688700     -2.120396      6.653468
  O      -6.435095     -2.269809      5.227672
  C      -7.371726     -1.893829      4.341332
  N      -8.500086     -1.320280      4.731664
  C      -9.393981     -0.996735      3.767069
  N      -9.291861     -1.202956      2.468082
  C      -8.121234     -1.776414      2.047636
  C      -7.900416     -2.019529      0.672843
  C      -6.689968     -2.562695      0.281345
  C      -5.724995     -2.868474      1.260922
  N      -5.893652     -2.673978      2.567051
  C      -7.080626     -2.136857      2.954137
  H      -4.203540      5.071351      3.176364
  H      -4.945029      3.505003      2.841476
  H      -5.826665      5.365520      5.129661
  H      -6.580684      5.326327      3.529526
  H      -7.842632      3.975967      5.253680
  H      -6.413143      2.906864      5.425073
  H     -11.626418      3.208203      4.506545
  H     -11.799440      1.439599      0.218236
  H      -9.983069      0.778686     -1.415803
  H      -7.597456      1.011877     -0.739182
  H      -1.528638     -1.453408      4.801511
  H      -3.178804     -1.153690      4.255454
  H      -0.604054     -0.306792      2.814887
  H      -2.178245      0.442822      2.492074
  H      -3.135404     -1.927329      2.168934
  H      -1.444838     -2.508770      2.106557
  H      -5.770505      0.861720      0.644471
  H      -5.043441      0.536965     -3.925032
  H      -3.118901     -0.411210     -5.279148
  H      -1.175300     -1.401754     -4.076245
  H      -6.575460      0.365668      5.855149
  H      -6.890740      0.723333      7.551691
  H      -4.719427     -1.297382      6.847298
  H      -5.704466     -1.215843      8.318291
  H      -7.740275     -1.849255      6.808712
  H      -6.498755     -3.116155      7.077037
  H     -10.306331     -0.502483      4.118492
  H      -8.684644     -1.756759     -0.040201
  H      -6.468204     -2.746746     -0.771351
  H      -4.763046     -3.291332      0.956536
  N      -5.064879      0.769125      3.582261
  H      -5.791094      1.406509      3.225785
  H      -5.586809     -0.055615      3.895107
  H      -4.536798      0.444637      2.755019
99
Coordinates from ORCA-job orca E -6478.951945576992
  N      -3.785850      3.562056      4.583274
  Mo     -3.838783      1.678061      5.255315
  N      -5.000938      1.301421      6.816569
  C      -4.454119      1.613225      8.136354
  C      -3.471947      2.768729      8.008392
  N      -2.585663      2.543616      6.830486
  C      -2.046803      3.814690      6.272305
  C      -3.115754      4.524677      5.454126
  C      -1.489284      1.575011      7.123468
  C      -1.064457      0.877088      5.833950
  N      -2.270677      0.476062      5.119230
  H      -2.633653      5.325805      4.858503
  H      -3.827322      5.038410      6.135118
  H      -1.207750      3.542635      5.616215
  H      -1.659807      4.461906      7.080964
  H      -0.443728     -0.001786      6.093419
  H      -0.416017      1.544704      5.228623
  H      -1.895913      0.822274      7.813867
  H      -0.647837      2.090865      7.621396
  H      -5.256899      1.906126      8.842129
  H      -3.951773      0.734287      8.593376
  H      -4.025039      3.697101      7.809245
  H      -2.876382      2.906025      8.928964
  C      -4.680463      4.195373      3.620564
  C      -5.998395      4.723580      4.222925
  C      -6.925663      3.629950      4.718681
  O      -7.339990      2.825788      3.573853
  C      -8.646681      2.677767      3.304131
  N      -9.571633      3.050388      4.171371
  C     -10.866978      2.867788      3.806968
  N     -11.329554      2.372256      2.675298
  C     -10.377276      1.995255      1.764207
  C     -10.757333      1.480708      0.504535
  C      -9.767620      1.124021     -0.390221
  C      -8.414130      1.266506     -0.022991
  N      -8.011951      1.742493      1.153147
  C      -8.981344      2.108545      2.029773
  C      -2.185791     -0.720539      4.299767
  C      -1.697593     -0.471844      2.861743
  C      -2.093306     -1.626789      1.956196
  O      -1.961443     -1.314868      0.543464
  C      -2.969612     -0.651155     -0.033068
  N      -3.970110     -0.153092      0.685005
  C      -4.985398      0.440059      0.007448
  N      -5.122630      0.564343     -1.299209
  C      -4.092792      0.065309     -2.053230
  C      -4.141143      0.134216     -3.463218
  C      -3.078046     -0.369303     -4.190010
  C      -1.981591     -0.930249     -3.504823
  N      -1.898888     -1.027854     -2.181069
  C      -2.943744     -0.541255     -1.466109
  C      -6.125999      0.381279      6.848924
  C      -5.751163     -1.066082      7.230172
  C      -6.703463     -2.100628      6.662738
  O      -6.446623     -2.249124      5.236442
  C      -7.389612     -1.890726      4.348500
  N      -8.526220     -1.335238      4.735862
  C      -9.425717     -1.027568      3.768462
  N      -9.318581     -1.235398      2.468634
  C      -8.139651     -1.794776      2.052412
  C      -7.912487     -2.045710      0.679015
  C      -6.692642     -2.572828      0.292854
  C      -5.724928     -2.857446      1.275627
  N      -5.898984     -2.659078      2.580758
  C      -7.094883     -2.135792      2.963092
  H      -4.154392      5.039077      3.131435
  H      -4.918502      3.477820      2.820603
  H      -5.779679      5.388017      5.075315
  H      -6.529744      5.334517      3.473678
  H      -7.817439      4.027586      5.216240
  H      -6.401256      2.944598      5.408286
  H     -11.609028      3.178845      4.549398
  H     -11.819517      1.382605      0.276328
  H     -10.015034      0.730189     -1.375705
  H      -7.626219      0.986542     -0.729959
  H      -1.543650     -1.475405      4.795966
  H      -3.192016     -1.169947      4.244253
  H      -0.609779     -0.302381      2.829395
  H      -2.184641      0.446710      2.501249
  H      -3.136463     -1.920926      2.154922
  H      -1.441312     -2.501015      2.092345
  H      -5.781562      0.862129      0.630182
  H      -5.013874      0.583401     -3.937171
  H      -3.073689     -0.336389     -5.280652
  H      -1.128895     -1.319877     -4.071592
  H      -6.590735      0.383075      5.851779
  H      -6.907487      0.746472      7.547380
  H      -4.734636     -1.276982      6.857201
  H      -5.723930     -1.189396      8.325298
  H      -7.755984     -1.829583      6.816363
  H      -6.513750     -3.095287      7.088441
  H     -10.344848     -0.548306      4.117514
  H      -8.699230     -1.800343     -0.035033
  H      -6.465716     -2.760191     -0.758598
  H      -4.756724     -3.267714      0.974327
  N      -5.073486      0.759122      3.584627
  H      -5.819996      1.384541      3.247653
  H      -5.568707     -0.083593      3.896011
  H      -4.552766      0.453964      2.745297
99
Coordinates from ORCA-job orca E -6478.952274320684
  N      -3.757984      3.542354      4.558063
  Mo     -3.836882      1.669443      5.251106
  N      -5.013095      1.319739      6.810233
  C      -4.467792      1.635464      8.129767
  C      -3.473723      2.780323      7.997797
  N      -2.584680      2.537792      6.825601
  C      -2.031585      3.798022      6.258651
  C      -3.089523      4.509192      5.425981
  C      -1.499375      1.561745      7.131836
  C      -1.072093      0.849711      5.850075
  N      -2.276922      0.452640      5.130874
  H      -2.596135      5.301938      4.828614
  H      -3.803399      5.033755      6.095896
  H      -1.191409      3.513233      5.609329
  H      -1.643937      4.449838      7.063142
  H      -0.459662     -0.031742      6.120163
  H      -0.414338      1.506695      5.243417
  H      -1.916855      0.817110      7.824135
  H      -0.655757      2.071213      7.632192
  H      -5.270122      1.942443      8.830839
  H      -3.978200      0.754013      8.596079
  H      -4.018306      3.712208      7.791221
  H      -2.881298      2.919803      8.920272
  C      -4.638611      4.170401      3.579969
  C      -5.952554      4.725295      4.164783
  C      -6.895956      3.655214      4.677729
  O      -7.316808      2.839907      3.544064
  C      -8.626396      2.667892      3.301835
  N      -9.540566      3.039138      4.181503
  C     -10.839314      2.842537      3.838338
  N     -11.314865      2.334248      2.717417
  C     -10.373916      1.957457      1.794229
  C     -10.768981      1.429647      0.544453
  C      -9.790357      1.072714     -0.362130
  C      -8.432864      1.226175     -0.015190
  N      -8.016394      1.713580      1.151989
  C      -8.975546      2.082097      2.038832
  C      -2.186189     -0.737884      4.304175
  C      -1.696871     -0.475171      2.868992
  C      -2.090396     -1.621616      1.952222
  O      -1.956973     -1.294761      0.543168
  C      -2.965557     -0.630647     -0.030412
  N      -3.972611     -0.149428      0.687634
  C      -4.991985      0.441754      0.011671
  N      -5.123001      0.578929     -1.294241
  C      -4.079912      0.104370     -2.048264
  C      -4.116566      0.196202     -3.457541
  C      -3.039125     -0.277790     -4.183342
  C      -1.938267     -0.832318     -3.498598
  N      -1.868274     -0.953742     -2.175542
  C      -2.928243     -0.496613     -1.461761
  C      -6.141543      0.403928      6.846810
  C      -5.772161     -1.042251      7.235244
  C      -6.728052     -2.074339      6.669505
  O      -6.471819     -2.225437      5.242746
  C      -7.423298     -1.889963      4.354982
  N      -8.565830     -1.347141      4.741126
  C      -9.471367     -1.059093      3.773028
  N      -9.363485     -1.273492      2.474216
  C      -8.178069     -1.817918      2.059640
  C      -7.948567     -2.070952      0.686733
  C      -6.721676     -2.583242      0.302955
  C      -5.749684     -2.851727      1.287039
  N      -5.925803     -2.650254      2.591601
  C      -7.127821     -2.140528      2.971302
  H      -4.099435      4.999388      3.080179
  H      -4.880687      3.442316      2.791451
  H      -5.728843      5.402622      5.005360
  H      -6.471160      5.328827      3.402349
  H      -7.784801      4.073240      5.163823
  H      -6.384119      2.977146      5.382728
  H     -11.573059      3.150577      4.591820
  H     -11.834367      1.320169      0.333736
  H     -10.050275      0.667580     -1.341721
  H      -7.653630      0.943636     -0.729882
  H      -1.540887     -1.493787      4.794612
  H      -3.190192     -1.191593      4.242850
  H      -0.609242     -0.304716      2.839583
  H      -2.184603      0.445664      2.516011
  H      -3.132823     -1.915716      2.146747
  H      -1.438524     -2.496078      2.081309
  H      -5.794914      0.851298      0.633479
  H      -4.993982      0.639155     -3.931537
  H      -3.026820     -0.225958     -5.272962
  H      -1.077467     -1.200066     -4.063929
  H      -6.606215      0.402609      5.849761
  H      -6.922193      0.774082      7.543769
  H      -4.755803     -1.257976      6.865012
  H      -5.746588     -1.161848      8.330174
  H      -7.779425     -1.798619      6.822529
  H      -6.543174     -3.069243      7.097734
  H     -10.395827     -0.588797      4.120131
  H      -8.738625     -1.842581     -0.027154
  H      -6.493409     -2.772467     -0.747419
  H      -4.777016     -3.254147      0.987605
  N      -5.076131      0.741733      3.590596
  H      -5.839822      1.352018      3.265366
  H      -5.546541     -0.111998      3.910865
  H      -4.563189      0.444566      2.743522
99
Coordinates from ORCA-job orca E -6478.952612099315
  N      -3.729356      3.516954      4.529776
  Mo     -3.834876      1.656315      5.247914
  N      -5.023621      1.338309      6.805109
  C      -4.480319      1.664577      8.123829
  C      -3.471533      2.796652      7.982455
  N      -2.581224      2.531522      6.816657
  C      -2.012864      3.778104      6.236700
  C      -3.058910      4.489269      5.389816
  C      -1.509042      1.546853      7.139083
  C      -1.081340      0.815382      5.868567
  N      -2.285465      0.424384      5.144917
  H      -2.552873      5.269165      4.787195
  H      -3.772520      5.029292      6.046421
  H      -1.174815      3.476603      5.593220
  H      -1.620493      4.434846      7.034473
  H      -0.482622     -0.070004      6.155627
  H      -0.410294      1.455220      5.259557
  H      -1.939346      0.815167      7.836410
  H      -0.662284      2.049305      7.640049
  H      -5.281968      1.990361      8.817113
  H      -4.005034      0.782817      8.603863
  H      -4.007407      3.731667      7.767267
  H      -2.880891      2.940503      8.905303
  C      -4.597528      4.135216      3.535668
  C      -5.905472      4.718100      4.102713
  C      -6.863420      3.671381      4.635635
  O      -7.295059      2.845669      3.513962
  C      -8.606548      2.650183      3.301136
  N      -9.509029      3.017815      4.194808
  C     -10.810448      2.805159      3.874584
  N     -11.299111      2.286227      2.763829
  C     -10.370232      1.912416      1.827148
  C     -10.780477      1.375440      0.586014
  C      -9.813366      1.022709     -0.334727
  C      -8.451244      1.188201     -0.009665
  N      -8.020488      1.683939      1.149071
  C      -8.969526      2.050322      2.048637
  C      -2.192185     -0.760146      4.309366
  C      -1.705043     -0.480455      2.877037
  C      -2.093604     -1.617515      1.946911
  O      -1.954498     -1.271679      0.543010
  C      -2.960945     -0.603669     -0.027954
  N      -3.977602     -0.140765      0.689928
  C      -4.997498      0.452632      0.015821
  N      -5.120302      0.606957     -1.288525
  C      -4.066712      0.154054     -2.041834
  C      -4.092647      0.270376     -3.449616
  C      -3.002291     -0.176241     -4.174315
  C      -1.902624     -0.732478     -3.489938
  N      -1.842956     -0.877979     -2.168923
  C      -2.912447     -0.444582     -1.456843
  C      -6.160755      0.433256      6.847519
  C      -5.800867     -1.011399      7.247351
  C      -6.760603     -2.040113      6.681735
  O      -6.501345     -2.192155      5.254217
  C      -7.458834     -1.881451      4.363288
  N      -8.610534     -1.353692      4.744213
  C      -9.519187     -1.093492      3.772289
  N      -9.406312     -1.319714      2.476118
  C      -8.211215     -1.843976      2.066746
  C      -7.974594     -2.099338      0.695278
  C      -6.737170     -2.590375      0.317405
  C      -5.762188     -2.834980      1.304579
  N      -5.945262     -2.628271      2.607666
  C      -7.156876     -2.138828      2.981312
  H      -4.046713      4.947701      3.021700
  H      -4.844041      3.394115      2.761204
  H      -5.676376      5.410510      4.929048
  H      -6.411161      5.311720      3.325329
  H      -7.746980      4.109556      5.114132
  H      -6.360933      2.998719      5.352067
  H     -11.534083      3.108522      4.639272
  H     -11.847782      1.255993      0.393380
  H     -10.085852      0.611613     -1.309049
  H      -7.680150      0.906674     -0.733417
  H      -1.543934     -1.519536      4.790244
  H      -3.195186     -1.215924      4.243475
  H      -0.618652     -0.304709      2.849053
  H      -2.197205      0.441562      2.534267
  H      -3.135751     -1.915042      2.133723
  H      -1.440992     -2.491606      2.067824
  H      -5.808140      0.847941      0.637437
  H      -4.970393      0.712431     -3.922973
  H      -2.979733     -0.101821     -5.262690
  H      -1.030083     -1.077151     -4.054323
  H      -6.624769      0.427597      5.850272
  H      -6.939608      0.814594      7.540368
  H      -4.784727     -1.235539      6.880602
  H      -5.778050     -1.124298      8.342764
  H      -7.811531     -1.760059      6.831840
  H      -6.580617     -3.035749      7.111760
  H     -10.451922     -0.633647      4.114314
  H      -8.767171     -1.888738     -0.022593
  H      -6.503430     -2.780801     -0.731231
  H      -4.781993     -3.222334      1.009237
  N      -5.078854      0.714128      3.598085
  H      -5.857940      1.310874      3.286223
  H      -5.525006     -0.148591      3.929101
  H      -4.575235      0.424419      2.742275
99
Coordinates from ORCA-job orca E -6478.952929757332
  N      -3.705056      3.494522      4.505164
  Mo     -3.830538      1.643876      5.244730
  N      -5.028648      1.351443      6.799438
  C      -4.487865      1.690697      8.117229
  C      -3.466980      2.812246      7.966122
  N      -2.575079      2.528803      6.806489
  C      -1.995984      3.764312      6.214978
  C      -3.032717      4.473053      5.356112
  C      -1.512190      1.538745      7.142026
  C      -1.084587      0.791474      5.881308
  N      -2.288306      0.402704      5.156017
  H      -2.516457      5.240377      4.746733
  H      -3.746191      5.027143      6.000296
  H      -1.160502      3.448093      5.576116
  H      -1.598500      4.425026      7.006659
  H      -0.496509     -0.095980      6.183949
  H      -0.404062      1.416698      5.268917
  H      -1.952043      0.818326      7.844686
  H      -0.663433      2.037200      7.642931
  H      -5.289588      2.032722      8.801762
  H      -4.023619      0.810705      8.610499
  H      -3.996378      3.749036      7.742907
  H      -2.877555      2.960663      8.888883
  C      -4.562665      4.100720      3.494438
  C      -5.865597      4.710799      4.043795
  C      -6.838699      3.686935      4.594650
  O      -7.278491      2.851370      3.484060
  C      -8.590155      2.635363      3.295914
  N      -9.482138      2.995099      4.202919
  C     -10.785162      2.762690      3.904676
  N     -11.284962      2.235721      2.802626
  C     -10.366747      1.870178      1.852894
  C     -10.789439      1.326702      0.618511
  C      -9.832507      0.981915     -0.315278
  C      -8.467180      1.160466     -0.009423
  N      -8.025068      1.663289      1.141557
  C      -8.964642      2.024124      2.052906
  C      -2.190638     -0.781664      4.319010
  C      -1.708868     -0.490845      2.887229
  C      -2.093207     -1.620786      1.946739
  O      -1.951711     -1.258488      0.547094
  C      -2.958080     -0.586374     -0.021187
  N      -3.983353     -0.142175      0.695709
  C      -5.000902      0.455919      0.023052
  N      -5.113930      0.631591     -1.279333
  C      -4.051156      0.200486     -2.030699
  C      -4.066044      0.343778     -3.436130
  C      -2.962675     -0.074487     -4.158980
  C      -1.863524     -0.633681     -3.475129
  N      -1.816215     -0.807447     -2.156801
  C      -2.897148     -0.399491     -1.446623
  C      -6.174521      0.455964      6.848366
  C      -5.825212     -0.988551      7.256117
  C      -6.790459     -2.011878      6.689824
  O      -6.529925     -2.159473      5.262080
  C      -7.495403     -1.873362      4.372238
  N      -8.654372     -1.359484      4.752398
  C      -9.568364     -1.121439      3.780123
  N      -9.454253     -1.357043      2.486467
  C      -8.251773     -1.863452      2.077352
  C      -8.012870     -2.120189      0.706738
  C      -6.767957     -2.592477      0.329366
  C      -5.787968     -2.818359      1.315625
  N      -5.973129     -2.607972      2.617939
  C      -7.191544     -2.135627      2.990620
  H      -4.001500      4.896701      2.965731
  H      -4.813583      3.346115      2.734529
  H      -5.631328      5.418561      4.855571
  H      -6.359482      5.293748      3.250874
  H      -7.717523      4.144130      5.064188
  H      -6.346097      3.019072      5.322516
  H     -11.499219      3.057953      4.679348
  H     -11.857425      1.195998      0.441874
  H     -10.115283      0.567255     -1.284554
  H      -7.701698      0.885025     -0.741787
  H      -1.535847     -1.538610      4.794287
  H      -3.190790     -1.243768      4.254006
  H      -0.623662     -0.310171      2.857270
  H      -2.206071      0.431684      2.553985
  H      -3.134051     -1.924834      2.127424
  H      -1.437349     -2.493444      2.059854
  H      -5.820545      0.833614      0.644783
  H      -4.945247      0.785165     -3.908604
  H      -2.931458      0.022999     -5.245043
  H      -0.985053     -0.959505     -4.036751
  H      -6.639810      0.446818      5.851985
  H      -6.949284      0.849416      7.537952
  H      -4.810134     -1.221076      6.891706
  H      -5.804275     -1.096930      8.351503
  H      -7.840106     -1.728373      6.839100
  H      -6.615340     -3.009687      7.116328
  H     -10.507817     -0.676495      4.121500
  H      -8.808990     -1.925192     -0.010930
  H      -6.531986     -2.783109     -0.718500
  H      -4.802742     -3.191599      1.020073
  N      -5.076881      0.682924      3.604704
  H      -5.873833      1.264284      3.306549
  H      -5.495738     -0.190277      3.947731
  H      -4.581542      0.404504      2.740087
99
Coordinates from ORCA-job orca E -6478.953237753918
  N      -3.675309      3.470580      4.476674
  Mo     -3.826112      1.632287      5.241771
  N      -5.037010      1.371759      6.791165
  C      -4.502610      1.726444      8.107720
  C      -3.467224      2.833750      7.946709
  N      -2.570744      2.525777      6.797432
  C      -1.975387      3.747184      6.192222
  C      -2.999152      4.455112      5.316757
  C      -1.521225      1.527852      7.151857
  C      -1.092194      0.761701      5.903711
  N      -2.294119      0.379493      5.170871
  H      -2.469602      5.207089      4.698774
  H      -3.711771      5.026833      5.946719
  H      -1.140792      3.411287      5.561418
  H      -1.572779      4.412628      6.977032
  H      -0.519758     -0.129807      6.224406
  H      -0.396498      1.370022      5.290656
  H      -1.975271      0.820563      7.859339
  H      -0.670736      2.022095      7.654728
  H      -5.306118      2.088746      8.778887
  H      -4.052351      0.849448      8.618568
  H      -3.985426      3.773185      7.708321
  H      -2.881834      2.987618      8.871154
  C      -4.522957      4.062175      3.449849
  C      -5.820602      4.698439      3.982854
  C      -6.804703      3.695963      4.554697
  O      -7.258389      2.848818      3.458337
  C      -8.570255      2.611730      3.301240
  N      -9.447760      2.962986      4.226100
  C     -10.753480      2.712607      3.954762
  N     -11.269244      2.181138      2.861803
  C     -10.365866      1.825680      1.893644
  C     -10.805701      1.281719      0.665116
  C      -9.862668      0.943418     -0.285705
  C      -8.493865      1.126147     -0.001516
  N      -8.035929      1.632839      1.141387
  C      -8.962104      1.990633      2.068065
  C      -2.193987     -0.799514      4.324706
  C      -1.714435     -0.495499      2.895021
  C      -2.090770     -1.619133      1.944064
  O      -1.941804     -1.242923      0.549154
  C      -2.947547     -0.567580     -0.016104
  N      -3.980923     -0.142958      0.700854
  C      -5.000378      0.457947      0.031701
  N      -5.104413      0.656556     -1.268425
  C      -4.031058      0.248157     -2.019531
  C      -4.033968      0.419937     -3.422595
  C      -2.922089      0.024946     -4.143777
  C      -1.825817     -0.540867     -3.461343
  N      -1.788313     -0.741182     -2.146405
  C      -2.877994     -0.355445     -1.437444
  C      -6.191572      0.487048      6.844292
  C      -5.854644     -0.958475      7.259491
  C      -6.824662     -1.976863      6.692171
  O      -6.561276     -2.121929      5.263883
  C      -7.533886     -1.862883      4.373569
  N      -8.702468     -1.369403      4.750782
  C      -9.621945     -1.156928      3.777267
  N      -9.505184     -1.401660      2.486103
  C      -8.291787     -1.887055      2.079916
  C      -8.047447     -2.149343      0.711554
  C      -6.792346     -2.596436      0.336806
  C      -5.807505     -2.793714      1.323252
  N      -5.996892     -2.577868      2.623763
  C      -7.225206     -2.129388      2.993687
  H      -3.952643      4.840524      2.904313
  H      -4.779201      3.292391      2.706899
  H      -5.581147      5.422887      4.778049
  H      -6.306786      5.267463      3.174866
  H      -7.675752      4.172212      5.019823
  H      -6.317728      3.033373      5.291694
  H     -11.455380      2.996386      4.745290
  H     -11.875390      1.143312      0.507212
  H     -10.159467      0.528407     -1.250177
  H      -7.737197      0.852934     -0.744625
  H      -1.536526     -1.558223      4.793318
  H      -3.193039     -1.263259      4.257239
  H      -0.630768     -0.307056      2.866056
  H      -2.218010      0.426583      2.570070
  H      -3.131953     -1.928476      2.116269
  H      -1.432794     -2.490807      2.052254
  H      -5.827665      0.817639      0.653797
  H      -4.910881      0.864725     -3.893700
  H      -2.880841      0.146779     -5.227472
  H      -0.936564     -0.845465     -4.021535
  H      -6.655405      0.475531      5.846810
  H      -6.963412      0.893605      7.529065
  H      -4.840330     -1.200115      6.898270
  H      -5.837257     -1.062375      8.355624
  H      -7.873627     -1.689470      6.839018
  H      -6.654300     -2.976452      7.117160
  H     -10.569502     -0.726222      4.115710
  H      -8.847498     -1.974933     -0.007878
  H      -6.551942     -2.788452     -0.709786
  H      -4.814921     -3.146827      1.029438
  N      -5.074375      0.653487      3.610686
  H      -5.881114      1.223866      3.321206
  H      -5.475141     -0.221292      3.966818
  H      -4.586712      0.376974      2.740974
99
Coordinates from ORCA-job orca E -6478.953555230652
  N      -3.650316      3.452441      4.455534
  Mo     -3.820875      1.623646      5.241375
  N      -5.040419      1.388896      6.786795
  C      -4.509246      1.754209      8.101463
  C      -3.463460      2.850210      7.932337
  N      -2.564932      2.524385      6.790419
  C      -1.958921      3.736778      6.174995
  C      -2.972824      4.442446      5.286742
  C      -1.524118      1.521286      7.157846
  C      -1.095275      0.741757      5.919098
  N      -2.296064      0.362965      5.182366
  H      -2.434830      5.183080      4.661848
  H      -3.685257      5.026421      5.906053
  H      -1.124398      3.387284      5.551388
  H      -1.553949      4.406536      6.954868
  H      -0.532276     -0.151775      6.251271
  H      -0.391158      1.339049      5.304039
  H      -1.987497      0.823580      7.869270
  H      -0.672784      2.014502      7.660743
  H      -5.313323      2.131765      8.762735
  H      -4.068577      0.879787      8.624438
  H      -3.971588      3.791871      7.681409
  H      -2.880375      3.007148      8.857681
  C      -4.487725      4.031604      3.413591
  C      -5.783021      4.688934      3.930133
  C      -6.776568      3.704442      4.517212
  O      -7.238575      2.847290      3.432262
  C      -8.549517      2.592920      3.299572
  N      -9.414190      2.931817      4.241376
  C     -10.721317      2.664359      3.994191
  N     -11.250903      2.131164      2.909081
  C     -10.361310      1.789161      1.923508
  C     -10.816546      1.243761      0.700927
  C      -9.886302      0.911606     -0.264515
  C      -8.514507      1.102258     -0.000473
  N      -8.043268      1.613797      1.134231
  C      -8.956786      1.966201      2.074478
  C      -2.191591     -0.813710      4.332418
  C      -1.713782     -0.502520      2.903212
  C      -2.088784     -1.619858      1.944757
  O      -1.937471     -1.233942      0.552823
  C      -2.943915     -0.554965     -0.008846
  N      -3.986059     -0.148496      0.706969
  C      -5.002375      0.458098      0.039922
  N      -5.096930      0.679147     -1.257599
  C      -4.016056      0.289327     -2.006561
  C      -4.008466      0.486231     -3.406262
  C      -2.888383      0.111259     -4.124686
  C      -1.795513     -0.461771     -3.443059
  N      -1.767634     -0.686275     -2.132050
  C      -2.864676     -0.318820     -1.425451
  C      -6.202988      0.514832      6.845358
  C      -5.880949     -0.934139      7.261083
  C      -6.857001     -1.943732      6.690371
  O      -6.589924     -2.085694      5.261758
  C      -7.570511     -1.853674      4.371785
  N      -8.747620     -1.383251      4.748417
  C      -9.673733     -1.196302      3.776071
  N      -9.554370     -1.445720      2.486002
  C      -8.332093     -1.908720      2.079916
  C      -8.084423     -2.174227      0.712566
  C      -6.821653     -2.600892      0.338363
  C      -5.832652     -2.774289      1.324320
  N      -6.024010     -2.552489      2.623490
  C      -7.259909     -2.124150      2.993154
  H      -3.908758      4.794721      2.855404
  H      -4.747472      3.249060      2.684818
  H      -5.540896      5.427786      4.711192
  H      -6.264169      5.244192      3.108938
  H      -7.642018      4.196704      4.975590
  H      -6.296083      3.048044      5.264491
  H     -11.412153      2.933729      4.800173
  H     -11.887849      1.094484      0.560189
  H     -10.195911      0.491525     -1.222808
  H      -7.766327      0.829673     -0.751601
  H      -1.529954     -1.569252      4.799969
  H      -3.188319     -1.281856      4.265688
  H      -0.630175     -0.312712      2.873152
  H      -2.218751      0.421705      2.585226
  H      -3.130357     -1.931263      2.113295
  H      -1.430430     -2.492605      2.047713
  H      -5.838094      0.799194      0.661918
  H      -4.883645      0.934756     -3.876644
  H      -2.838234      0.254137     -5.205396
  H      -0.897563     -0.749195     -4.000477
  H      -6.668262      0.505580      5.848468
  H      -6.968177      0.932873      7.529695
  H      -4.867590     -1.184175      6.903348
  H      -5.869319     -1.038450      8.357125
  H      -7.904449     -1.649291      6.834657
  H      -6.694955     -2.945892      7.113128
  H     -10.628737     -0.782216      4.113632
  H      -8.888356     -2.015960     -0.007380
  H      -6.577849     -2.794351     -0.707735
  H      -4.834395     -3.110841      1.031015
  N      -5.070551      0.629109      3.618185
  H      -5.891546      1.184615      3.340365
  H      -5.447933     -0.253365      3.979963
  H      -4.587386      0.363834      2.742867
99
Coordinates from ORCA-job orca E -6478.953871201286
  N      -3.620794      3.426896      4.429586
  Mo     -3.813772      1.609714      5.240194
  N      -5.043070      1.410405      6.781142
  C      -4.515812      1.788458      8.092809
  C      -3.458485      2.871077      7.913925
  N      -2.557808      2.521498      6.780868
  C      -1.937239      3.721029      6.152636
  C      -2.939295      4.423172      5.248320
  C      -1.527473      1.513181      7.166036
  C      -1.099160      0.713711      5.940477
  N      -2.298821      0.340018      5.198740
  H      -2.391820      5.149101      4.614140
  H      -3.649136      5.023376      5.855367
  H      -1.101631      3.355275      5.539784
  H      -1.530655      4.397360      6.926079
  H      -0.549017     -0.182468      6.287154
  H      -0.383754      1.295898      5.322828
  H      -2.001745      0.828997      7.883772
  H      -0.674902      2.007120      7.666560
  H      -5.320508      2.184809      8.742197
  H      -4.086208      0.917706      8.630877
  H      -3.953325      3.815099      7.646039
  H      -2.878789      3.032740      8.840795
  C      -4.447999      3.990848      3.371403
  C      -5.741952      4.667709      3.868551
  C      -6.742583      3.701475      4.474654
  O      -7.216928      2.831007      3.405554
  C      -8.526957      2.559827      3.301595
  N      -9.375148      2.887102      4.261646
  C     -10.684056      2.603469      4.041773
  N     -11.231425      2.069060      2.965990
  C     -10.359392      1.739420      1.961501
  C     -10.833098      1.195825      0.744995
  C      -9.917710      0.872393     -0.238212
  C      -8.542092      1.069108      0.002675
  N      -8.054985      1.582867      1.129033
  C      -8.953505      1.928120      2.085742
  C      -2.191229     -0.829823      4.339763
  C      -1.713694     -0.506698      2.913299
  C      -2.085040     -1.615821      1.944807
  O      -1.929851     -1.217200      0.556827
  C      -2.936210     -0.533818     -0.000358
  N      -3.986070     -0.145950      0.713930
  C      -5.001756      0.465196      0.049561
  N      -5.087100      0.710432     -1.244745
  C      -3.997534      0.340365     -1.991285
  C      -3.978005      0.563835     -3.387073
  C      -2.848933      0.207563     -4.102753
  C      -1.759784     -0.374445     -3.422549
  N      -1.742862     -0.624050     -2.115908
  C      -2.847614     -0.273509     -1.411607
  C      -6.215660      0.550837      6.844558
  C      -5.913406     -0.902800      7.261882
  C      -6.898347     -1.901190      6.688793
  O      -6.627673     -2.040779      5.260298
  C      -7.614970     -1.837808      4.369662
  N      -8.802909     -1.395692      4.743695
  C      -9.735178     -1.237617      3.771271
  N      -9.610570     -1.492062      2.481991
  C      -8.376311     -1.926044      2.078366
  C      -8.121929     -2.195428      0.712822
  C      -6.849400     -2.593352      0.341194
  C      -5.856490     -2.736014      1.328823
  N      -6.052090     -2.509491      2.626563
  C      -7.298636     -2.108863      2.993653
  H      -3.860873      4.737159      2.798927
  H      -4.710763      3.193717      2.659247
  H      -5.498589      5.423754      4.632723
  H      -6.220543      5.204901      3.033011
  H      -7.601006      4.210752      4.927637
  H      -6.265820      3.054437      5.233034
  H     -11.360170      2.861714      4.863024
  H     -11.905582      1.039879      0.622068
  H     -10.241739      0.453315     -1.191130
  H      -7.803492      0.800332     -0.759696
  H      -1.528297     -1.585939      4.804648
  H      -3.187055     -1.299098      4.270503
  H      -0.630570     -0.312235      2.884192
  H      -2.221811      0.419158      2.603275
  H      -3.127694     -1.929260      2.108932
  H      -1.426585     -2.489608      2.042119
  H      -5.845607      0.786775      0.670424
  H      -4.851651      1.017124     -3.856932
  H      -2.790484      0.370183     -5.180127
  H      -0.859452     -0.651391     -3.976941
  H      -6.681254      0.546090      5.847128
  H      -6.973395      0.982599      7.528664
  H      -4.901797     -1.164838      6.908106
  H      -5.908473     -1.006975      8.358641
  H      -7.943034     -1.596442      6.830857
  H      -6.747695     -2.905739      7.110602
  H     -10.698974     -0.843903      4.105947
  H      -8.928816     -2.063335     -0.007790
  H      -6.600099     -2.788982     -0.703511
  H      -4.850378     -3.050518      1.037943
  N      -5.066747      0.596832      3.627756
  H      -5.896231      1.143870      3.358223
  H      -5.430407     -0.289499      3.993802
  H      -4.587743      0.336136      2.748673
99
Coordinates from ORCA-job orca E -6478.954183659758
  N      -3.597837      3.410812      4.413148
  Mo     -3.807756      1.602133      5.239777
  N      -5.044946      1.428227      6.778273
  C      -4.518235      1.810454      8.088480
  C      -3.452602      2.883887      7.905282
  N      -2.551911      2.519785      6.776005
  C      -1.922506      3.713067      6.142536
  C      -2.917039      4.411442      5.226797
  C      -1.527288      1.508343      7.171415
  C      -1.098558      0.699497      5.951970
  N      -2.297324      0.327302      5.207871
  H      -2.364563      5.130233      4.589142
  H      -3.627212      5.019300      5.825765
  H      -1.082719      3.340749      5.539634
  H      -1.520086      4.393968      6.914270
  H      -0.552124     -0.197094      6.303288
  H      -0.380566      1.276423      5.332173
  H      -2.009013      0.832271      7.891770
  H      -0.674526      2.003163      7.670620
  H      -5.321900      2.217677      8.733002
  H      -4.095243      0.940464      8.633183
  H      -3.936749      3.830474      7.628165
  H      -2.874165      3.045905      8.833101
  C      -4.412791      3.966804      3.340951
  C      -5.707676      4.654320      3.820012
  C      -6.714827      3.701485      4.436676
  O      -7.193208      2.822239      3.377229
  C      -8.502233      2.537055      3.296756
  N      -9.335687      2.853728      4.272982
  C     -10.645920      2.559126      4.075620
  N     -11.208350      2.024262      3.007408
  C     -10.351852      1.703958      1.987026
  C     -10.841878      1.159916      0.776829
  C      -9.940469      0.842420     -0.221396
  C      -8.562265      1.045374     -0.001481
  N      -8.060393      1.562779      1.117263
  C      -8.945204      1.901971      2.088469
  C      -2.185243     -0.839266      4.345148
  C      -1.704972     -0.510739      2.921141
  C      -2.080814     -1.612946      1.947340
  O      -1.927048     -1.207618      0.561279
  C      -2.934126     -0.519807      0.008564
  N      -3.988568     -0.145105      0.721942
  C      -5.004529      0.469832      0.060396
  N      -5.082332      0.734525     -1.230913
  C      -3.985845      0.380828     -1.975497
  C      -3.957758      0.626603     -3.367028
  C      -2.826762      0.280955     -4.081113
  C      -1.739411     -0.308487     -3.403635
  N      -1.729048     -0.577624     -2.100914
  C      -2.839052     -0.240175     -1.398104
  C      -6.225490      0.580282      6.844633
  C      -5.939551     -0.877565      7.260597
  C      -6.933252     -1.863287      6.681324
  O      -6.657729     -2.001939      5.254525
  C      -7.651981     -1.828739      4.364465
  N      -8.847925     -1.411208      4.738801
  C      -9.786772     -1.282016      3.768935
  N      -9.659342     -1.542069      2.480466
  C      -8.416990     -1.949729      2.076204
  C      -8.160378     -2.222583      0.711526
  C      -6.881836     -2.602553      0.340375
  C      -5.884899     -2.721273      1.327955
  N      -6.081108     -2.485522      2.624113
  C      -7.334223     -2.104316      2.990910
  H      -3.817042      4.702735      2.764200
  H      -4.673635      3.161093      2.637467
  H      -5.466175      5.421608      4.573514
  H      -6.183099      5.178162      2.974069
  H      -7.570114      4.224017      4.880644
  H      -6.245271      3.063542      5.207000
  H     -11.309222      2.808968      4.909532
  H     -11.914791      0.998025      0.669020
  H     -10.277148      0.421728     -1.169384
  H      -7.833682      0.779288     -0.774481
  H      -1.522049     -1.594489      4.811375
  H      -3.179968     -1.310539      4.272956
  H      -0.621191     -0.319511      2.891971
  H      -2.209316      0.419077      2.616074
  H      -3.123817     -1.922854      2.112544
  H      -1.426020     -2.489963      2.039870
  H      -5.853943      0.778114      0.680012
  H      -4.827878      1.086896     -3.835428
  H      -2.761931      0.460589     -5.155382
  H      -0.831946     -0.572464     -3.956683
  H      -6.692878      0.580791      5.847717
  H      -6.976118      1.020646      7.531308
  H      -4.928206     -1.148981      6.912826
  H      -5.943245     -0.984658      8.357100
  H      -7.974757     -1.545765      6.819084
  H      -6.797719     -2.869598      7.103527
  H     -10.757779     -0.907200      4.102887
  H      -8.970663     -2.112315     -0.007577
  H      -6.630495     -2.803957     -0.702673
  H      -4.873984     -3.022967      1.038351
  N      -5.061649      0.578075      3.635919
  H      -5.901430      1.112056      3.372161
  H      -5.408048     -0.317352      4.000352
  H      -4.583318      0.327965      2.753371
99
Coordinates from ORCA-job orca E -6478.954101762070
  N      -3.563484      3.391383      4.403691
  Mo     -3.788320      1.592686      5.246392
  N      -5.037923      1.441450      6.777704
  C      -4.517168      1.831600      8.087986
  C      -3.445145      2.898455      7.902613
  N      -2.538586      2.518591      6.782616
  C      -1.898330      3.702334      6.142740
  C      -2.884313      4.396334      5.213308
  C      -1.523277      1.504359      7.195678
  C      -1.089686      0.681633      5.986929
  N      -2.284886      0.310623      5.235722
  H      -2.324567      5.107455      4.573095
  H      -3.596010      5.012570      5.801995
  H      -1.055033      3.321136      5.550052
  H      -1.499515      4.388913      6.911147
  H      -0.551427     -0.215167      6.349865
  H      -0.363031      1.249248      5.368442
  H      -2.015161      0.837790      7.918067
  H      -0.671235      1.998111      7.697154
  H      -5.322577      2.247764      8.724492
  H      -4.101807      0.964101      8.642528
  H      -3.922595      3.845058      7.613915
  H      -2.871955      3.065802      8.832600
  C      -4.366506      3.940418      3.319393
  C      -5.668888      4.627233      3.777599
  C      -6.681622      3.674518      4.386175
  O      -7.142630      2.788588      3.324710
  C      -8.447649      2.488490      3.232704
  N      -9.294452      2.793216      4.201120
  C     -10.599456      2.486073      3.988048
  N     -11.144318      1.949035      2.911552
  C     -10.273455      1.641927      1.899197
  C     -10.743504      1.099386      0.680667
  C      -9.827132      0.797437     -0.309153
  C      -8.453736      1.012736     -0.072220
  N      -7.970550      1.528704      1.055049
  C      -8.870329      1.853587      2.017585
  C      -2.167911     -0.848576      4.363588
  C      -1.703201     -0.502239      2.938985
  C      -2.096484     -1.594053      1.959478
  O      -1.967262     -1.174143      0.575411
  C      -2.977039     -0.467653      0.052573
  N      -4.007656     -0.082041      0.794043
  C      -5.028597      0.557983      0.163086
  N      -5.130281      0.840059     -1.122522
  C      -4.058467      0.472991     -1.896748
  C      -4.058231      0.732974     -3.286256
  C      -2.954388      0.363902     -4.032894
  C      -1.866396     -0.261239     -3.389186
  N      -1.828933     -0.539111     -2.088786
  C      -2.911431     -0.178341     -1.354084
  C      -6.223836      0.601032      6.843303
  C      -5.945368     -0.856032      7.266509
  C      -6.944841     -1.838366      6.691010
  O      -6.678678     -1.973193      5.262124
  C      -7.684738     -1.819980      4.381476
  N      -8.886933     -1.429946      4.768432
  C      -9.840991     -1.328608      3.809765
  N      -9.724529     -1.596657      2.521989
  C      -8.476605     -1.976917      2.104911
  C      -8.232006     -2.259431      0.740205
  C      -6.949293     -2.609603      0.355131
  C      -5.934971     -2.689379      1.329056
  N      -6.118910     -2.446441      2.625543
  C      -7.376929     -2.094691      3.005862
  H      -3.765145      4.674116      2.745797
  H      -4.617554      3.130431      2.617544
  H      -5.440274      5.400009      4.529494
  H      -6.134150      5.144462      2.922143
  H      -7.544329      4.197017      4.815998
  H      -6.220890      3.042139      5.166477
  H     -11.274290      2.724514      4.816145
  H     -11.813521      0.927656      0.559056
  H     -10.148416      0.380397     -1.264011
  H      -7.713045      0.758946     -0.837886
  H      -1.498217     -1.605037      4.818450
  H      -3.160599     -1.324024      4.291798
  H      -0.619974     -0.310859      2.898103
  H      -2.211382      0.430800      2.650647
  H      -3.137645     -1.903284      2.139698
  H      -1.442432     -2.473313      2.031455
  H      -5.860939      0.870524      0.803543
  H      -4.928641      1.219386     -3.728218
  H      -2.912995      0.549151     -5.107449
  H      -0.984111     -0.549521     -3.968563
  H      -6.689045      0.599420      5.845299
  H      -6.973668      1.047922      7.526878
  H      -4.935585     -1.134318      6.919893
  H      -5.949302     -0.958726      8.363634
  H      -7.984501     -1.517769      6.834880
  H      -6.810568     -2.845653      7.111998
  H     -10.817083     -0.974804      4.153757
  H      -9.055899     -2.181201      0.031395
  H      -6.708035     -2.817220     -0.688855
  H      -4.920990     -2.967122      1.028212
  N      -5.025211      0.551698      3.642120
  H      -5.859004      1.084958      3.360350
  H      -5.376389     -0.341450      4.006571
  H      -4.534138      0.298010      2.767176
99
Coordinates from ORCA-job orca E -6478.954660783862
  N      -3.569641      3.388356      4.380282
  Mo     -3.793213      1.591197      5.222154
  N      -5.061291      1.443299      6.741844
  C      -4.553867      1.834800      8.057282
  C      -3.484764      2.907024      7.882359
  N      -2.564480      2.523175      6.772622
  C      -1.915856      3.704525      6.137272
  C      -2.896003      4.393492      5.196163
  C      -1.556156      1.510359      7.206372
  C      -1.103275      0.685264      6.005608
  N      -2.285685      0.311160      5.235480
  H      -2.335174      5.108000      4.561138
  H      -3.612805      5.007040      5.781251
  H      -1.061953      3.326357      5.558318
  H      -1.532702      4.396308      6.908906
  H      -0.565438     -0.209326      6.373479
  H      -0.371179      1.256246      5.397413
  H      -2.060142      0.846554      7.922375
  H      -0.711657      2.005100      7.718614
  H      -5.366119      2.245721      8.689221
  H      -4.139074      0.968972      8.615333
  H      -3.960862      3.851527      7.585347
  H      -2.921958      3.078824      8.817568
  C      -4.378567      3.951001      3.307266
  C      -5.670912      4.641852      3.784342
  C      -6.676443      3.702222      4.425278
  O      -7.167060      2.802940      3.390147
  C      -8.479171      2.521016      3.337230
  N      -9.296052      2.856432      4.321216
  C     -10.611110      2.569794      4.145748
  N     -11.190114      2.018848      3.094380
  C     -10.349962      1.677854      2.066891
  C     -10.858004      1.115067      0.873537
  C      -9.971584      0.781101     -0.132825
  C      -8.590194      0.984935      0.063313
  N      -8.071277      1.517769      1.167004
  C      -8.941671      1.871931      2.145627
  C      -2.145194     -0.843301      4.360678
  C      -1.661211     -0.487956      2.944649
  C      -2.046178     -1.585454      1.965644
  O      -1.903734     -1.179852      0.578615
  C      -2.901623     -0.473156      0.033450
  N      -3.936248     -0.062973      0.754808
  C      -4.938674      0.584560      0.101373
  N      -5.015208      0.855074     -1.187493
  C      -3.941365      0.457415     -1.942615
  C      -3.921210      0.695546     -3.335247
  C      -2.826047      0.272697     -4.067414
  C      -1.762982     -0.376425     -3.405018
  N      -1.740754     -0.622987     -2.098190
  C      -2.816437     -0.212023     -1.378293
  C      -6.246168      0.601304      6.793670
  C      -5.966456     -0.854078      7.218813
  C      -6.958181     -1.833122      6.623963
  O      -6.679795     -1.949710      5.197315
  C      -7.687843     -1.811266      4.316115
  N      -8.902040     -1.461576      4.710136
  C      -9.863125     -1.387548      3.756990
  N      -9.744660     -1.652313      2.468744
  C      -8.487284     -1.992659      2.045033
  C      -8.245104     -2.278376      0.680700
  C      -6.955149     -2.594283      0.289127
  C      -5.930034     -2.631938      1.255419
  N      -6.111353     -2.386301      2.551890
  C      -7.377622     -2.071700      2.938948
  H      -3.778691      4.685663      2.734471
  H      -4.641386      3.147938      2.602505
  H      -5.425172      5.419177      4.526129
  H      -6.150716      5.154868      2.935376
  H      -7.527494      4.236888      4.864017
  H      -6.205344      3.080934      5.207613
  H     -11.261390      2.835108      4.985825
  H     -11.933403      0.955323      0.781566
  H     -10.322782      0.349191     -1.071921
  H      -7.874063      0.705830     -0.715465
  H      -1.478606     -1.598450      4.822363
  H      -3.132995     -1.325585      4.268695
  H      -0.577591     -0.297671      2.918061
  H      -2.165324      0.444582      2.648827
  H      -3.089175     -1.890123      2.139203
  H      -1.395699     -2.465485      2.051442
  H      -5.782709      0.908562      0.721204
  H      -4.773313      1.201459     -3.793015
  H      -2.772650      0.431104     -5.145591
  H      -0.889124     -0.712187     -3.974235
  H      -6.702695      0.598349      5.792234
  H      -7.003858      1.042313      7.473119
  H      -4.950619     -1.128068      6.887482
  H      -5.986187     -0.961955      8.314785
  H      -7.998947     -1.513130      6.761118
  H      -6.829602     -2.843246      7.039924
  H     -10.849841     -1.066702      4.106939
  H      -9.079020     -2.237749     -0.021671
  H      -6.717146     -2.807267     -0.753988
  H      -4.910492     -2.881770      0.949495
  N      -4.985965      0.535982      3.602031
  H      -5.815982      1.059040      3.292232
  H      -5.334564     -0.370349      3.940842
  H      -4.463492      0.306232      2.737716
99
Coordinates from ORCA-job orca E -6478.954755659389
  N      -3.592126      3.407012      4.409344
  Mo     -3.815185      1.608775      5.248851
  N      -5.044279      1.464654      6.800010
  C      -4.500991      1.842222      8.104580
  C      -3.427095      2.904653      7.908486
  N      -2.540241      2.521464      6.772751
  C      -1.901103      3.703903      6.129578
  C      -2.898027      4.405031      5.215973
  C      -1.531234      1.495832      7.172722
  C      -1.117159      0.671751      5.958023
  N      -2.320232      0.313707      5.211875
  H      -2.345802      5.118864      4.572575
  H      -3.599332      5.019586      5.818376
  H      -1.065023      3.323157      5.527007
  H      -1.493492      4.387486      6.895945
  H      -0.582327     -0.230628      6.311432
  H      -0.391262      1.235571      5.335323
  H      -2.024504      0.833243      7.897355
  H      -0.669094      1.978225      7.667243
  H      -5.293500      2.256741      8.758245
  H      -4.080607      0.969064      8.646358
  H      -3.902527      3.855198      7.630688
  H      -2.838004      3.064551      8.829614
  C      -4.407029      3.969322      3.340288
  C      -5.713791      4.631233      3.819942
  C      -6.704048      3.656866      4.431237
  O      -7.160158      2.771397      3.368514
  C      -8.455767      2.423523      3.316762
  N      -9.274022      2.664650      4.327245
  C     -10.573700      2.313068      4.155453
  N     -11.139738      1.788753      3.084013
  C     -10.299160      1.547165      2.028881
  C     -10.797154      1.027744      0.811583
  C      -9.911316      0.796266     -0.223522
  C      -8.538556      1.055337     -0.032339
  N      -8.029753      1.551205      1.092967
  C      -8.901557      1.808430      2.100379
  C      -2.200009     -0.835664      4.324761
  C      -1.702803     -0.486755      2.909776
  C      -2.084694     -1.583526      1.927846
  O      -1.895642     -1.197140      0.540768
  C      -2.862893     -0.474577     -0.036950
  N      -3.903781     -0.033955      0.656529
  C      -4.876342      0.627813     -0.024760
  N      -4.919081      0.885400     -1.318148
  C      -3.840592      0.451825     -2.045968
  C      -3.787892      0.669607     -3.441007
  C      -2.686186      0.217879     -4.143710
  C      -1.651100     -0.443346     -3.450396
  N      -1.661468     -0.676117     -2.140827
  C      -2.742752     -0.234909     -1.449654
  C      -6.236780      0.634131      6.875022
  C      -5.963110     -0.829928      7.274759
  C      -6.973634     -1.795315      6.688560
  O      -6.726087     -1.892159      5.253720
  C      -7.756439     -1.779690      4.393540
  N      -8.973403     -1.474387      4.811852
  C      -9.951559     -1.416326      3.875073
  N      -9.846361     -1.653555      2.580047
  C      -8.584622     -1.942649      2.131063
  C      -8.351244     -2.185715      0.756765
  C      -7.055964     -2.443953      0.339308
  C      -6.017069     -2.470055      1.289826
  N      -6.189048     -2.262945      2.594408
  C      -7.459970     -2.002912      3.006784
  H      -3.817028      4.718792      2.775956
  H      -4.656271      3.169233      2.626474
  H      -5.489172      5.399721      4.577429
  H      -6.196832      5.149329      2.975424
  H      -7.571452      4.161619      4.873102
  H      -6.226044      3.028531      5.203616
  H     -11.224329      2.500367      5.016114
  H     -11.864375      0.818884      0.724433
  H     -10.256165      0.401422     -1.180772
  H      -7.821222      0.855597     -0.833830
  H      -1.540819     -1.598923      4.782736
  H      -3.192728     -1.307662      4.233741
  H      -0.616615     -0.310617      2.893662
  H      -2.191106      0.452032      2.607815
  H      -3.137891     -1.868821      2.076145
  H      -1.452554     -2.474543      2.037748
  H      -5.721228      0.982943      0.576690
  H      -4.619483      1.185542     -3.922234
  H      -2.605598      0.364443     -5.221905
  H      -0.769652     -0.800065     -3.996247
  H      -6.718492      0.647650      5.885491
  H      -6.970953      1.077121      7.577664
  H      -4.956659     -1.107897      6.918445
  H      -5.960945     -0.951440      8.369294
  H      -8.010145     -1.474544      6.853242
  H      -6.839231     -2.812200      7.085869
  H     -10.940819     -1.132478      4.246258
  H      -9.195233     -2.155797      0.067050
  H      -6.824720     -2.619787     -0.712791
  H      -4.993319     -2.672910      0.963163
  N      -5.083602      0.586404      3.666580
  H      -5.931453      1.112649      3.415023
  H      -5.409479     -0.328006      4.003531
  H      -4.608099      0.380455      2.769030
99
Coordinates from ORCA-job orca E -6478.955474676226
  N      -3.544424      3.375034      4.382382
  Mo     -3.801704      1.590307      5.240991
  N      -5.059036      1.477324      6.771107
  C      -4.533987      1.866164      8.079733
  C      -3.443153      2.912878      7.888570
  N      -2.541503      2.507362      6.772752
  C      -1.878204      3.674296      6.124769
  C      -2.849424      4.375661      5.184299
  C      -1.549403      1.475192      7.198060
  C      -1.123514      0.637230      5.997579
  N      -2.318612      0.283046      5.236651
  H      -2.276326      5.071297      4.539062
  H      -3.552052      5.009352      5.765104
  H      -1.037774      3.274164      5.540911
  H      -1.473323      4.362172      6.888679
  H      -0.603331     -0.266875      6.368572
  H      -0.382217      1.188366      5.381211
  H      -2.061131      0.823901      7.920311
  H      -0.690676      1.953500      7.702639
  H      -5.333005      2.299175      8.712717
  H      -4.134110      0.995359      8.640315
  H      -3.902821      3.865478      7.591699
  H      -2.867676      3.076683      8.817651
  C      -4.334588      3.926184      3.288816
  C      -5.626422      4.642754      3.732540
  C      -6.652389      3.726012      4.373299
  O      -7.137806      2.815718      3.344499
  C      -8.440473      2.491747      3.320390
  N      -9.241972      2.796972      4.327144
  C     -10.549439      2.460958      4.187212
  N     -11.137316      1.893875      3.150016
  C     -10.313226      1.581174      2.100593
  C     -10.833516      1.001635      0.920456
  C      -9.962886      0.692919     -0.107822
  C      -8.583632      0.936464      0.054791
  N      -8.053666      1.488265      1.143474
  C      -8.910421      1.821303      2.142607
  C      -2.187910     -0.858044      4.340655
  C      -1.698013     -0.486207      2.928937
  C      -2.076012     -1.566804      1.929098
  O      -1.901750     -1.149352      0.549479
  C      -2.886974     -0.434222     -0.007428
  N      -3.935754     -0.034597      0.699617
  C      -4.925947      0.620561      0.036772
  N      -4.979004      0.907879     -1.250459
  C      -3.893504      0.515979     -1.991535
  C      -3.850083      0.768302     -3.381538
  C      -2.738270      0.364026     -4.096755
  C      -1.685694     -0.287771     -3.421467
  N      -1.687768     -0.555188     -2.118408
  C      -2.777773     -0.158865     -1.414515
  C      -6.264489      0.663608      6.834494
  C      -6.023268     -0.801425      7.252984
  C      -7.038670     -1.756880      6.658684
  O      -6.762421     -1.878964      5.230241
  C      -7.776895     -1.805061      4.346633
  N      -9.005400     -1.502453      4.729124
  C      -9.963308     -1.482482      3.769667
  N      -9.827522     -1.755436      2.484418
  C      -8.552855     -2.041836      2.071693
  C      -8.285087     -2.319544      0.710149
  C      -6.978077     -2.574237      0.329238
  C      -5.961686     -2.564162      1.303235
  N      -6.165926     -2.322761      2.597334
  C      -7.447953     -2.064307      2.973551
  H      -3.718701      4.642438      2.709032
  H      -4.597738      3.112074      2.595721
  H      -5.384378      5.433107      4.461624
  H      -6.086828      5.142804      2.864460
  H      -7.502973      4.277424      4.791437
  H      -6.199343      3.112568      5.172710
  H     -11.186309      2.702445      5.044344
  H     -11.904501      0.805869      0.857038
  H     -10.324994      0.248419     -1.035709
  H      -7.878199      0.674032     -0.739687
  H      -1.521936     -1.620396      4.790386
  H      -3.177250     -1.335967      4.245625
  H      -0.613303     -0.300988      2.910521
  H      -2.195511      0.453333      2.644694
  H      -3.125263     -1.865503      2.078380
  H      -1.434389     -2.453730      2.016854
  H      -5.776594      0.941867      0.648904
  H      -4.695615      1.274192     -3.848184
  H      -2.663254      0.540835     -5.170897
  H      -0.797267     -0.607441     -3.976814
  H      -6.729699      0.674621      5.836771
  H      -7.002224      1.126751      7.519680
  H      -5.014782     -1.100093      6.919578
  H      -6.044883     -0.910813      8.348786
  H      -8.072951     -1.417414      6.797546
  H      -6.929865     -2.770543      7.072245
  H     -10.962340     -1.197450      4.110340
  H      -9.112576     -2.316483      0.000893
  H      -6.720177     -2.774951     -0.712343
  H      -4.928927     -2.763928      1.005462
  N      -5.048120      0.557938      3.648680
  H      -5.892736      1.082667      3.383769
  H      -5.376209     -0.354760      3.986406
  H      -4.560125      0.347409      2.760757
99
Coordinates from ORCA-job orca E -6478.955807664121
  N      -3.504629      3.352316      4.355173
  Mo     -3.789220      1.580513      5.228252
  N      -5.072236      1.500187      6.741639
  C      -4.560694      1.895282      8.053563
  C      -3.457647      2.930792      7.868068
  N      -2.543868      2.503161      6.769183
  C      -1.859514      3.656577      6.119585
  C      -2.812549      4.354879      5.157803
  C      -1.568058      1.466236      7.220785
  C      -1.129261      0.615377      6.033385
  N      -2.315810      0.261845      5.258469
  H      -2.226844      5.041459      4.514796
  H      -3.518059      4.998211      5.724018
  H      -1.011082      3.245958      5.555202
  H      -1.464590      4.350989      6.882815
  H      -0.617599     -0.288389      6.416494
  H      -0.378016      1.159058      5.423042
  H      -2.097980      0.826436      7.939753
  H      -0.713139      1.941243      7.734258
  H      -5.363624      2.340353      8.673863
  H      -4.175595      1.025794      8.626880
  H      -3.902824      3.884532      7.553796
  H      -2.893779      3.099409      8.803302
  C      -4.277419      3.905300      3.250473
  C      -5.567932      4.631707      3.677534
  C      -6.600647      3.730538      4.328826
  O      -7.086987      2.805920      3.313984
  C      -8.381898      2.447983      3.325913
  N      -9.161526      2.728472      4.356767
  C     -10.462694      2.356527      4.253857
  N     -11.063075      1.771034      3.233784
  C     -10.261699      1.484589      2.159590
  C     -10.799481      0.893321      0.993496
  C      -9.952110      0.620072     -0.064195
  C      -8.576998      0.906087      0.057307
  N      -8.030004      1.467364      1.133189
  C      -8.865943      1.767546      2.160556
  C      -2.172114     -0.872843      4.358120
  C      -1.685269     -0.483442      2.950877
  C      -2.075914     -1.551244      1.943014
  O      -1.915194     -1.120191      0.566480
  C      -2.904234     -0.399821      0.022293
  N      -3.946472      0.000252      0.738056
  C      -4.935737      0.669693      0.085476
  N      -4.991033      0.970453     -1.198410
  C      -3.911903      0.577593     -1.947858
  C      -3.872608      0.844005     -3.335216
  C      -2.771647      0.429893     -4.061154
  C      -1.722653     -0.241584     -3.398691
  N      -1.719448     -0.517834     -2.097574
  C      -2.800513     -0.113643     -1.383456
  C      -6.289212      0.704541      6.795061
  C      -6.077919     -0.759141      7.232492
  C      -7.104764     -1.695305      6.629712
  O      -6.812839     -1.819367      5.206760
  C      -7.824774     -1.770273      4.319673
  N      -9.061026     -1.495981      4.700469
  C     -10.018728     -1.508182      3.741645
  N      -9.875679     -1.790815      2.458892
  C      -8.594787     -2.049545      2.048592
  C      -8.322512     -2.343103      0.691375
  C      -7.010674     -2.577568      0.313785
  C      -5.993641     -2.528490      1.286533
  N      -6.202037     -2.271450      2.577297
  C      -7.489212     -2.034696      2.950148
  H      -3.649724      4.614799      2.675760
  H      -4.538729      3.090572      2.557888
  H      -5.325980      5.430447      4.397568
  H      -6.021915      5.121975      2.801100
  H      -7.450592      4.293251      4.733668
  H      -6.154482      3.131561      5.142724
  H     -11.080633      2.578052      5.129701
  H     -11.865315      0.665626      0.960425
  H     -10.329141      0.172882     -0.985288
  H      -7.890047      0.671126     -0.761347
  H      -1.503418     -1.635701      4.803468
  H      -3.158759     -1.354842      4.254847
  H      -0.600108     -0.301548      2.929069
  H      -2.181549      0.460442      2.679237
  H      -3.124224     -1.845340      2.100000
  H      -1.438187     -2.441864      2.016745
  H      -5.786936      0.985094      0.700257
  H      -4.714567      1.365711     -3.792280
  H      -2.701376      0.613364     -5.134393
  H      -0.843786     -0.571053     -3.963095
  H      -6.741624      0.712208      5.791635
  H      -7.028614      1.184130      7.467646
  H      -5.069696     -1.080157      6.919788
  H      -6.120706     -0.859210      8.328458
  H      -8.132819     -1.331993      6.755495
  H      -7.025664     -2.709404      7.049059
  H     -11.025547     -1.248383      4.080719
  H      -9.151088     -2.377377     -0.015562
  H      -6.750014     -2.794550     -0.723336
  H      -4.957203     -2.713371      0.992060
  N      -5.001294      0.540766      3.620995
  H      -5.833103      1.068171      3.322967
  H      -5.345609     -0.374982      3.940463
  H      -4.483104      0.332150      2.750653
99
Coordinates from ORCA-job orca E -6478.956202136637
  N      -3.512665      3.340202      4.355600
  Mo     -3.789439      1.569814      5.232190
  N      -5.063607      1.488695      6.753614
  C      -4.546525      1.888135      8.061557
  C      -3.447918      2.926676      7.868116
  N      -2.538341      2.497403      6.766831
  C      -1.858558      3.649280      6.111432
  C      -2.817423      4.344613      5.153429
  C      -1.560540      1.462349      7.216600
  C      -1.125017      0.609755      6.029417
  N      -2.313685      0.252670      5.258609
  H      -2.235188      5.030562      4.506571
  H      -3.521001      4.988081      5.721757
  H      -1.012562      3.238625      5.543227
  H      -1.460568      4.346170      6.870801
  H      -0.611053     -0.292459      6.413242
  H      -0.375823      1.152905      5.416041
  H      -2.087332      0.823029      7.938396
  H      -0.703575      1.937516      7.726747
  H      -5.347631      2.331163      8.685715
  H      -4.155496      1.021056      8.634674
  H      -3.898022      3.878005      7.553358
  H      -2.879838      3.100314      8.799857
  C      -4.282892      3.892966      3.249019
  C      -5.572454      4.626200      3.667148
  C      -6.619364      3.732848      4.305352
  O      -7.098749      2.814178      3.281702
  C      -8.391572      2.447400      3.283144
  N      -9.181372      2.717565      4.308992
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  N     -11.067220      1.755691      3.162695
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  C     -10.778410      0.895161      0.918447
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  C      -1.703427     -0.243701     -3.407289
  N      -1.703733     -0.518376     -2.105778
  C      -2.778499     -0.097758     -1.391282
  C      -6.276581      0.689261      6.815803
  C      -6.055707     -0.770893      7.260806
  C      -7.088243     -1.710265      6.675164
  O      -6.814149     -1.826948      5.249123
  C      -7.842569     -1.799139      4.382526
  N      -9.077625     -1.560693      4.791487
  C     -10.053923     -1.587514      3.852382
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  H      -3.650834      4.600436      2.676543
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  H      -5.332260      5.422379      4.390721
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  H      -7.852539      0.708755     -0.814169
  H      -1.491575     -1.638877      4.792724
  H      -3.149881     -1.363628      4.249436
  H      -0.596968     -0.297115      2.925303
  H      -2.179374      0.465356      2.679784
  H      -3.123975     -1.832154      2.087144
  H      -1.439609     -2.436168      2.009415
  H      -5.750121      1.042505      0.692877
  H      -4.674057      1.405728     -3.800294
  H      -2.670900      0.623186     -5.143428
  H      -0.832782     -0.588605     -3.972109
  H      -6.734413      0.689990      5.814816
  H      -7.014768      1.168983      7.490003
  H      -5.050747     -1.092795      6.938743
  H      -6.086020     -0.864567      8.358078
  H      -8.115146     -1.348745      6.815727
  H      -7.002805     -2.724468      7.093592
  H     -11.058935     -1.352745      4.214167
  H      -9.239929     -2.378586      0.066545
  H      -6.844832     -2.724947     -0.694810
  H      -5.019723     -2.623386      0.985351
  N      -5.002132      0.533231      3.625999
  H      -5.835056      1.061434      3.332735
  H      -5.346185     -0.388439      3.929308
  H      -4.482708      0.338139      2.752880
99
Coordinates from ORCA-job orca E -6478.956718838233
  N      -3.505316      3.356702      4.366707
  Mo     -3.804620      1.586778      5.234397
  N      -5.071374      1.512458      6.761255
  C      -4.544342      1.897353      8.068977
  C      -3.431410      2.919968      7.876185
  N      -2.533349      2.486933      6.769074
  C      -1.843747      3.634804      6.117008
  C      -2.796304      4.348812      5.167394
  C      -1.569000      1.434373      7.204183
  C      -1.151626      0.583487      6.010294
  N      -2.347704      0.246664      5.240935
  H      -2.205718      5.029302      4.522191
  H      -3.491017      4.998284      5.739501
  H      -1.008106      3.215553      5.540020
  H      -1.430139      4.320805      6.877957
  H      -0.650974     -0.328029      6.390380
  H      -0.394885      1.116777      5.397185
  H      -2.101710      0.796850      7.923485
  H      -0.702349      1.890920      7.715452
  H      -5.336929      2.348728      8.697224
  H      -4.164664      1.021624      8.636123
  H      -3.871041      3.878995      7.570136
  H      -2.856246      3.080319      8.806023
  C      -4.265118      3.917926      3.257341
  C      -5.551726      4.660462      3.670196
  C      -6.604229      3.772619      4.305940
  O      -7.077637      2.852969      3.280246
  C      -8.355142      2.438263      3.311143
  N      -9.126970      2.674325      4.359377
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  N     -11.005680      1.650851      3.255791
  C     -10.212677      1.414709      2.162958
  C     -10.744487      0.811197      1.000220
  C      -9.903411      0.584666     -0.074239
  C      -8.540672      0.930110      0.027685
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  C      -1.645482     -0.233380     -3.439758
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  C      -6.113219     -0.729144      7.270409
  C      -7.165697     -1.647698      6.685700
  O      -6.881114     -1.786739      5.262382
  C      -7.902551     -1.807304      4.387118
  N      -9.147185     -1.594189      4.778066
  C     -10.111020     -1.656907      3.827764
  N      -9.965402     -1.929605      2.543159
  C      -8.676259     -2.121532      2.121480
  C      -8.398809     -2.381156      0.758395
  C      -7.079352     -2.542522      0.368332
  C      -6.059429     -2.455483      1.333536
  N      -6.271296     -2.224868      2.629469
  C      -7.565465     -2.057199      3.014223
  H      -3.624455      4.621444      2.688782
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  H      -5.309913      5.457701      4.392020
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  H      -7.457634      4.343167      4.692747
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  H      -7.857445      0.728506     -0.803437
  H      -1.536745     -1.643152      4.761049
  H      -3.192567     -1.358709      4.216149
  H      -0.620543     -0.307756      2.912291
  H      -2.192564      0.470826      2.651639
  H      -3.147614     -1.818068      2.030202
  H      -1.465888     -2.436149      1.983852
  H      -5.719700      1.068779      0.627117
  H      -4.619487      1.400208     -3.864225
  H      -2.598806      0.627791     -5.186903
  H      -0.766904     -0.572987     -3.995251
  H      -6.752011      0.743496      5.818423
  H      -7.028867      1.232434      7.490291
  H      -5.115049     -1.076801      6.954202
  H      -6.150090     -0.815857      8.367937
  H      -8.184595     -1.260389      6.815305
  H      -7.110159     -2.660023      7.114040
  H     -11.122920     -1.434965      4.174498
  H      -9.229291     -2.440420      0.055398
  H      -6.816185     -2.727711     -0.674816
  H      -5.017261     -2.579393      1.028326
  N      -5.055367      0.605185      3.625447
  H      -5.884914      1.153671      3.359978
  H      -5.411042     -0.317743      3.907352
  H      -4.552339      0.424566      2.738380
99
Coordinates from ORCA-job orca E -6478.957259646593
  N      -3.477613      3.318863      4.336182
  Mo     -3.801572      1.567077      5.228014
  N      -5.077662      1.531402      6.749238
  C      -4.552444      1.927182      8.054436
  C      -3.425864      2.933638      7.853013
  N      -2.527693      2.474033      6.756745
  C      -1.821734      3.604434      6.091644
  C      -2.761869      4.315097      5.126364
  C      -1.579055      1.415421      7.211260
  C      -1.162823      0.547049      6.029587
  N      -2.357320      0.213326      5.255510
  H      -2.160304      4.979602      4.474810
  H      -3.452718      4.980232      5.684681
  H      -0.987714      3.167975      5.525160
  H      -1.404501      4.296634      6.844847
  H      -0.673127     -0.364879      6.422655
  H      -0.397252      1.066195      5.415626
  H      -2.124747      0.792741      7.933654
  H      -0.710449      1.866619      7.723751
  H      -5.342471      2.396609      8.672690
  H      -4.186475      1.054654      8.635305
  H      -3.852758      3.893365      7.531753
  H      -2.853125      3.100529      8.783157
  C      -4.221189      3.869772      3.210838
  C      -5.500344      4.636286      3.601007
  C      -6.570171      3.777029      4.247238
  O      -7.054025      2.847503      3.236024
  C      -8.325696      2.418362      3.304193
  N      -9.072062      2.660638      4.369776
  C     -10.355092      2.220640      4.322289
  N     -10.968550      1.606896      3.326979
  C     -10.201426      1.362890      2.217068
  C     -10.758510      0.744083      1.074497
  C      -9.943402      0.512031     -0.018815
  C      -8.580422      0.864171      0.046334
  N      -8.015564      1.452557      1.097497
  C      -8.822913      1.715139      2.159267
  C      -2.210829     -0.902960      4.330827
  C      -1.709019     -0.488945      2.933945
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  C      -7.229255     -1.585786      6.688335
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  H      -3.567387      4.555432      2.635566
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  H      -7.917556      0.657090     -0.799682
  H      -1.540456     -1.672050      4.761405
  H      -3.196218     -1.385156      4.214553
  H      -0.622535     -0.314574      2.929731
  H      -2.194916      0.463289      2.673779
  H      -3.142960     -1.819922      2.022470
  H      -1.459933     -2.432324      1.970887
  H      -5.759874      1.016618      0.629246
  H      -4.601004      1.482381     -3.835681
  H      -2.550847      0.777389     -5.148225
  H      -0.713162     -0.421521     -3.961955
  H      -6.762907      0.778705      5.802289
  H      -7.046131      1.295548      7.464586
  H      -5.169943     -1.054470      6.976182
  H      -6.215233     -0.758315      8.375547
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  H      -7.199561     -2.596811      7.122413
  H     -11.179374     -1.545826      4.159489
  H      -9.227311     -2.503123      0.054569
  H      -6.801035     -2.694728     -0.662583
  H      -5.016890     -2.453198      1.044999
  N      -5.047782      0.582571      3.620809
  H      -5.868654      1.136860      3.341782
  H      -5.414527     -0.337999      3.899094
  H      -4.535697      0.395621      2.740078
99
Coordinates from ORCA-job orca E -6478.957748273955
  N      -3.459657      3.298297      4.320785
  Mo     -3.798376      1.552265      5.214836
  N      -5.090191      1.532244      6.724625
  C      -4.575850      1.929473      8.032845
  C      -3.442086      2.929733      7.838654
  N      -2.534440      2.458464      6.754992
  C      -1.814761      3.580448      6.091207
  C      -2.743175      4.292230      5.114936
  C      -1.596775      1.397570      7.224898
  C      -1.170300      0.525824      6.049386
  N      -2.357296      0.193658      5.262490
  H      -2.133187      4.952262      4.467029
  H      -3.434684      4.962060      5.666369
  H      -0.976999      3.138265      5.534648
  H      -1.401740      4.274810      6.844751
  H      -0.685750     -0.386615      6.447273
  H      -0.397754      1.043589      5.443426
  H      -2.153054      0.778986      7.942532
  H      -0.731336      1.845240      7.745549
  H      -5.369250      2.405187      8.642485
  H      -4.220530      1.057088      8.620748
  H      -3.860682      3.889695      7.507323
  H      -2.878442      3.099940      8.773618
  C      -4.183413      3.858601      3.187160
  C      -5.453934      4.644420      3.564681
  C      -6.541837      3.809135      4.211214
  O      -7.034886      2.878317      3.206691
  C      -8.297644      2.427794      3.309655
  N      -9.019994      2.662886      4.393230
  C     -10.294059      2.194468      4.383326
  N     -10.918546      1.555540      3.410767
  C     -10.175080      1.316565      2.283596
  C     -10.748335      0.677592      1.160749
  C      -9.957022      0.458458      0.046840
  C      -8.600656      0.840692      0.073982
  N      -8.020819      1.448310      1.105658
  C      -8.806835      1.700808      2.186254
  C      -2.194484     -0.913353      4.331403
  C      -1.688784     -0.474896      2.943850
  C      -2.057701     -1.506199      1.891943
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  C      -2.846372     -0.304815     -0.014082
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  N      -4.930683      1.057413     -1.248168
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  C      -3.770104      0.988709     -3.365276
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  C      -1.598732     -0.056508     -3.406519
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  C      -6.217458     -0.659515      7.267756
  C      -7.300676     -1.538283      6.679423
  O      -6.986210     -1.701992      5.267365
  C      -7.993369     -1.779388      4.381497
  N      -9.252788     -1.630186      4.757931
  C     -10.200449     -1.751815      3.797643
  N     -10.025077     -2.038005      2.519445
  C      -8.724023     -2.171491      2.114840
  C      -8.418784     -2.450581      0.761660
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  C      -6.085227     -2.384840      1.360934
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  C      -7.628451     -2.030388      3.016794
  H      -3.514779      4.535631      2.619133
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  H      -7.382235      4.418584      4.567731
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  H      -7.956972      0.643894     -0.789224
  H      -1.521756     -1.683551      4.757239
  H      -3.176214     -1.399491      4.201015
  H      -0.603505     -0.293165      2.946561
  H      -2.180654      0.477110      2.694484
  H      -3.110005     -1.800419      2.012361
  H      -1.424857     -2.401159      1.952450
  H      -5.763856      1.023210      0.635226
  H      -4.613912      1.502792     -3.827967
  H      -2.557440      0.817168     -5.144147
  H      -0.705154     -0.359574     -3.960571
  H      -6.765094      0.785847      5.756216
  H      -7.073878      1.332269      7.404733
  H      -5.229413     -1.057911      6.982078
  H      -6.280884     -0.714269      8.365911
  H      -8.301083     -1.096924      6.779527
  H      -7.312327     -2.543372      7.128094
  H     -11.228877     -1.592310      4.133908
  H      -9.237113     -2.578562      0.053500
  H      -6.805499     -2.752903     -0.645137
  H      -5.035280     -2.458297      1.069319
  N      -5.012099      0.583158      3.577881
  H      -5.815637      1.150641      3.276514
  H      -5.402798     -0.343134      3.814103
  H      -4.470048      0.407809      2.713504
99
Coordinates from ORCA-job orca E -6478.958383110190
  N      -3.455052      3.280845      4.313476
  Mo     -3.805955      1.542741      5.216289
  N      -5.095677      1.541347      6.727774
  C      -4.577228      1.938978      8.033010
  C      -3.435989      2.929433      7.832650
  N      -2.532863      2.445882      6.751472
  C      -1.806391      3.560244      6.081490
  C      -2.731089      4.273835      5.102949
  C      -1.603687      1.379454      7.225226
  C      -1.183554      0.501307      6.052582
  N      -2.371921      0.176319      5.263732
  H      -2.116982      4.926687      4.451639
  H      -3.417859      4.950660      5.651740
  H      -0.972289      3.110292      5.525568
  H      -1.387389      4.255161      6.831210
  H      -0.706062     -0.413890      6.452581
  H      -0.406440      1.012058      5.446262
  H      -2.164857      0.767135      7.944543
  H      -0.734578      1.821492      7.744777
  H      -5.366342      2.423586      8.640988
  H      -4.228199      1.066240      8.623963
  H      -3.847429      3.890842      7.496630
  H      -2.869998      3.100054      8.766007
  C      -4.165697      3.840750      3.171787
  C      -5.431641      4.639146      3.537985
  C      -6.528484      3.817806      4.186969
  O      -7.022830      2.884107      3.186247
  C      -8.274648      2.407761      3.309419
  N      -8.987201      2.631036      4.402114
  C     -10.253544      2.141233      4.406831
  N     -10.879847      1.495000      3.440230
  C     -10.146039      1.268850      2.304018
  C     -10.721895      0.623813      1.185874
  C      -9.937565      0.415047      0.064694
  C      -8.585684      0.814151      0.080239
  N      -8.004846      1.429532      1.106026
  C      -8.784450      1.671733      2.193308
  C      -2.205051     -0.919716      4.320097
  C      -1.691250     -0.468801      2.939231
  C      -2.059615     -1.489084      1.876582
  O      -1.852729     -1.001185      0.525694
  C      -2.828294     -0.267456     -0.025735
  N      -3.884715      0.120599      0.676795
  C      -4.864351      0.797651      0.016294
  N      -4.896003      1.116170     -1.263671
  C      -3.801031      0.739496     -1.997899
  C      -3.736969      1.026772     -3.380275
  C      -2.616229      0.634215     -4.090176
  C      -1.576171     -0.040631     -3.417805
  N      -1.598547     -0.340323     -2.121693
  C      -2.695976      0.045262     -1.423537
  C      -6.354079      0.818494      6.773035
  C      -6.253553     -0.632205      7.282767
  C      -7.349802     -1.496681      6.696865
  O      -7.031207     -1.670461      5.287277
  C      -8.037494     -1.785902      4.405186
  N      -9.299723     -1.680466      4.786340
  C     -10.245880     -1.832962      3.829177
  N     -10.065261     -2.110361      2.549551
  C      -8.761843     -2.201260      2.140580
  C      -8.451444     -2.465448      0.785353
  C      -7.119480     -2.521605      0.408617
  C      -6.119364     -2.320768      1.376804
  N      -6.362089     -2.081829      2.667291
  C      -7.668826     -2.023879      3.039158
  H      -3.488260      4.509391      2.603897
  H      -4.441145      3.025806      2.486023
  H      -5.171619      5.449598      4.238285
  H      -5.827973      5.121820      2.630248
  H      -7.365757      4.437531      4.533235
  H      -6.145535      3.239305      5.046504
  H     -10.816240      2.315112      5.329362
  H     -11.762772      0.304725      1.239369
  H     -10.345214     -0.068989     -0.823896
  H      -7.945732      0.622501     -0.786773
  H      -1.534930     -1.694762      4.741044
  H      -3.186639     -1.402993      4.180076
  H      -0.605195     -0.291668      2.948691
  H      -2.177563      0.487778      2.695749
  H      -3.114932     -1.777630      1.988894
  H      -1.432796     -2.388667      1.933993
  H      -5.728947      1.098803      0.620164
  H      -4.576162      1.546924     -3.844657
  H      -2.526125      0.836338     -5.158547
  H      -0.685637     -0.354324     -3.970703
  H      -6.772630      0.806197      5.755759
  H      -7.084746      1.371934      7.396869
  H      -5.271605     -1.047895      7.001970
  H      -6.320797     -0.676505      8.381090
  H      -8.342643     -1.036699      6.790545
  H      -7.383876     -2.498343      7.152143
  H     -11.277093     -1.702039      4.167971
  H      -9.267301     -2.618090      0.078984
  H      -6.833136     -2.707372     -0.627898
  H      -5.068828     -2.354648      1.081163
  N      -5.018888      0.590021      3.571267
  H      -5.814316      1.167647      3.267112
  H      -5.420173     -0.338389      3.784094
  H      -4.468752      0.422424      2.710458
99
Coordinates from ORCA-job orca E -6478.958974402371
  N      -3.484008      3.255706      4.317966
  Mo     -3.829178      1.521620      5.227554
  N      -5.094086      1.536480      6.759082
  C      -4.554913      1.925704      8.055080
  C      -3.410244      2.907957      7.836090
  N      -2.525661      2.418766      6.743997
  C      -1.806163      3.531632      6.062624
  C      -2.743004      4.247156      5.098213
  C      -1.596193      1.348664      7.205244
  C      -1.195963      0.470344      6.026508
  N      -2.393659      0.153532      5.247774
  H      -2.134844      4.897059      4.438546
  H      -3.418903      4.927308      5.656271
  H      -0.982636      3.079762      5.492654
  H      -1.372199      4.225481      6.804898
  H      -0.718243     -0.448684      6.416302
  H      -0.423489      0.979533      5.412865
  H      -2.149743      0.737932      7.931680
  H      -0.717251      1.784949      7.713108
  H      -5.331111      2.416725      8.674176
  H      -4.204843      1.049335      8.639555
  H      -3.821583      3.871485      7.505943
  H      -2.828536      3.076508      8.759727
  C      -4.184350      3.827198      3.175677
  C      -5.446018      4.630280      3.545613
  C      -6.548737      3.811638      4.187967
  O      -7.042173      2.888228      3.178043
  C      -8.283638      2.385480      3.309999
  N      -8.997164      2.595934      4.404736
  C     -10.259622      2.094785      4.405701
  N     -10.882721      1.456000      3.432350
  C     -10.147406      1.243996      2.294163
  C     -10.717785      0.604492      1.169930
  C      -9.926944      0.401148      0.052335
  C      -8.576793      0.807237      0.074627
  N      -8.003127      1.420982      1.104514
  C      -8.787365      1.652462      2.190282
  C      -2.222834     -0.923638      4.281255
  C      -1.693602     -0.461655      2.908301
  C      -2.053031     -1.474264      1.834304
  O      -1.825951     -0.982906      0.488604
  C      -2.792009     -0.245356     -0.072900
  N      -3.844492      0.162008      0.624738
  C      -4.813649      0.844766     -0.043751
  N      -4.839040      1.152393     -1.326443
  C      -3.746563      0.758387     -2.054762
  C      -3.675222      1.034910     -3.438524
  C      -2.554096      0.628629     -4.141391
  C      -1.521836     -0.048399     -3.460038
  N      -1.552393     -0.340140     -2.162123
  C      -2.649989      0.057623     -1.471630
  C      -6.365740      0.840228      6.804371
  C      -6.300722     -0.602460      7.342169
  C      -7.417924     -1.446360      6.763455
  O      -7.085744     -1.649572      5.362159
  C      -8.079888     -1.803880      4.474354
  N      -9.347629     -1.746536      4.846269
  C     -10.277986     -1.920083      3.877742
  N     -10.076208     -2.176155      2.596383
  C      -8.767111     -2.222064      2.198871
  C      -8.433974     -2.450281      0.841953
  C      -7.096702     -2.447842      0.477488
  C      -6.114158     -2.217547      1.456173
  N      -6.378819     -2.008111      2.748865
  C      -7.690646     -2.013178      3.109402
  H      -3.502187      4.496381      2.612967
  H      -4.463746      3.019221      2.484211
  H      -5.180640      5.434975      4.250557
  H      -5.838736      5.121023      2.640664
  H      -7.383646      4.436385      4.531730
  H      -6.175075      3.229409      5.048448
  H     -10.823283      2.255692      5.329989
  H     -11.757455      0.280817      1.217854
  H     -10.327377     -0.085748     -0.837853
  H      -7.930549      0.616839     -0.787824
  H      -1.557325     -1.705489      4.695424
  H      -3.203905     -1.402890      4.128567
  H      -0.607006     -0.289589      2.931777
  H      -2.171184      0.499128      2.664043
  H      -3.112447     -1.758933      1.932590
  H      -1.431100     -2.377243      1.894191
  H      -5.673532      1.163679      0.557606
  H      -4.508761      1.558490     -3.909344
  H      -2.458804      0.822778     -5.210701
  H      -0.631515     -0.370962     -4.006726
  H      -6.773777      0.815993      5.783087
  H      -7.092428      1.419696      7.408305
  H      -5.330083     -1.046647      7.068392
  H      -6.370662     -0.623375      8.440707
  H      -8.397331     -0.954062      6.838920
  H      -7.492485     -2.437463      7.236177
  H     -11.313957     -1.806403      4.203653
  H      -9.237274     -2.617667      0.124188
  H      -6.794442     -2.603876     -0.559699
  H      -5.060613     -2.197516      1.168950
  N      -5.048091      0.613284      3.564872
  H      -5.830116      1.213768      3.268022
  H      -5.467223     -0.320783      3.721279
  H      -4.488120      0.470895      2.704574
99
Coordinates from ORCA-job orca E -6478.959568747768
  N      -3.463670      3.233134      4.304711
  Mo     -3.829456      1.509485      5.224913
  N      -5.102760      1.552425      6.748229
  C      -4.567640      1.944079      8.044829
  C      -3.410711      2.911919      7.824745
  N      -2.525122      2.405502      6.741249
  C      -1.790757      3.506221      6.055307
  C      -2.715443      4.223379      5.080377
  C      -1.609533      1.329277      7.214864
  C      -1.208488      0.442511      6.043084
  N      -2.403105      0.132845      5.256774
  H      -2.097620      4.861425      4.418030
  H      -3.387034      4.915178      5.629328
  H      -0.969144      3.041277      5.492999
  H      -1.353011      4.200923      6.794556
  H      -0.742231     -0.479489      6.439915
  H      -0.426828      0.942295      5.432953
  H      -2.174451      0.727499      7.940218
  H      -0.730249      1.760117      7.726930
  H      -5.341840      2.449056      8.655121
  H      -4.230996      1.068168      8.637671
  H      -3.809823      3.877306      7.485186
  H      -2.832096      3.080973      8.750321
  C      -4.148143      3.801483      3.151095
  C      -5.401959      4.624736      3.505061
  C      -6.515613      3.826381      4.154002
  O      -7.014878      2.895107      3.154495
  C      -8.244350      2.371354      3.313728
  N      -8.936545      2.570178      4.424099
  C     -10.188966      2.044936      4.454021
  N     -10.821907      1.393724      3.495482
  C     -10.108223      1.192677      2.341611
  C     -10.691136      0.540604      1.231115
  C      -9.920463      0.347208      0.097709
  C      -8.576701      0.774435      0.091267
  N      -7.992539      1.401930      1.106687
  C      -8.758152      1.624615      2.207571
  C      -2.226705     -0.930659      4.276547
  C      -1.689053     -0.449975      2.913711
  C      -2.040688     -1.450314      1.826126
  O      -1.810844     -0.942060      0.487333
  C      -2.779826     -0.203388     -0.068489
  N      -3.834447      0.193478      0.632229
  C      -4.809580      0.872337     -0.031954
  N      -4.839087      1.184851     -1.313393
  C      -3.744718      0.801628     -2.044722
  C      -3.678261      1.082553     -3.427860
  C      -2.554968      0.688097     -4.133928
  C      -1.516431      0.016756     -3.456586
  N      -1.542682     -0.280342     -2.159779
  C      -2.641760      0.107062     -1.465858
  C      -6.388369      0.881463      6.783604
  C      -6.360342     -0.555709      7.339090
  C      -7.487330     -1.383182      6.754600
  O      -7.141491     -1.605591      5.359405
  C      -8.128376     -1.794871      4.469916
  N      -9.398197     -1.769993      4.838795
  C     -10.321516     -1.980674      3.870335
  N     -10.109982     -2.248078      2.592807
  C      -8.798728     -2.262171      2.198322
  C      -8.456018     -2.500710      0.845426
  C      -7.118529     -2.464822      0.483366
  C      -6.145202     -2.193380      1.460061
  N      -6.418030     -1.972968      2.749555
  C      -7.730413     -2.010827      3.108325
  H      -3.454225      4.456285      2.586253
  H      -4.432918      2.989717      2.465936
  H      -5.130200      5.435543      4.200459
  H      -5.786182      5.107897      2.592173
  H      -7.344834      4.464721      4.486460
  H      -6.151023      3.252784      5.024291
  H     -10.733960      2.194807      5.391368
  H     -11.723985      0.199216      1.301526
  H     -10.331246     -0.148861     -0.782467
  H      -7.944618      0.591410     -0.783232
  H      -1.564588     -1.718405      4.685014
  H      -3.207521     -1.406046      4.110967
  H      -0.602993     -0.275516      2.945523
  H      -2.167220      0.512883      2.678149
  H      -3.100014     -1.739250      1.917196
  H      -1.416689     -2.352537      1.877674
  H      -5.671498      1.181528      0.571675
  H      -4.517375      1.599761     -3.895505
  H      -2.463266      0.886457     -5.202828
  H      -0.624289     -0.296805     -4.005804
  H      -6.780467      0.850875      5.756160
  H      -7.112925      1.483453      7.368299
  H      -5.396023     -1.022646      7.081281
  H      -6.444271     -0.562133      8.436874
  H      -8.457460     -0.870090      6.811805
  H      -7.589526     -2.367292      7.237098
  H     -11.361405     -1.895744      4.193595
  H      -9.252602     -2.700690      0.128375
  H      -6.809368     -2.625575     -0.551269
  H      -5.092911     -2.144969      1.173791
  N      -5.036408      0.603924      3.553516
  H      -5.808273      1.212075      3.246564
  H      -5.464898     -0.329342      3.697208
  H      -4.464788      0.462320      2.701323
99
Coordinates from ORCA-job orca E -6478.960030571129
  N      -3.441814      3.195655      4.289534
  Mo     -3.824169      1.478642      5.217123
  N      -5.109493      1.558595      6.726814
  C      -4.583302      1.951195      8.028627
  C      -3.410713      2.900872      7.810735
  N      -2.522932      2.377478      6.734281
  C      -1.771193      3.464939      6.045699
  C      -2.681038      4.183024      5.058645
  C      -1.620209      1.297908      7.220368
  C      -1.210359      0.408647      6.053842
  N      -2.398682      0.101349      5.262139
  H      -2.053471      4.806057      4.391256
  H      -3.345933      4.889622      5.597111
  H      -0.952379      2.983211      5.493449
  H      -1.329262      4.159866      6.782487
  H      -0.753052     -0.516262      6.455562
  H      -0.421834      0.904153      5.448490
  H      -2.196613      0.702542      7.942528
  H      -0.744613      1.728303      7.739240
  H      -5.354664      2.474904      8.627295
  H      -4.265072      1.075365      8.631717
  H      -3.795646      3.868893      7.462365
  H      -2.836172      3.068508      8.739819
  C      -4.108363      3.766778      3.123963
  C      -5.344805      4.627401      3.458658
  C      -6.479256      3.861643      4.110583
  O      -6.990090      2.920320      3.125823
  C      -8.222674      2.412708      3.302345
  N      -8.895746      2.634582      4.419049
  C     -10.145421      2.106469      4.486126
  N     -10.792027      1.426240      3.558548
  C     -10.097584      1.194035      2.398962
  C     -10.696069      0.499108      1.323387
  C      -9.947354      0.270556      0.183187
  C      -8.607900      0.707232      0.134352
  N      -8.009349      1.376641      1.115314
  C      -8.753644      1.632046      2.223963
  C      -2.218263     -0.945248      4.266411
  C      -1.665347     -0.437063      2.920966
  C      -1.990518     -1.422999      1.812869
  O      -1.773756     -0.881810      0.485026
  C      -2.770250     -0.165436     -0.052986
  N      -3.838104      0.172439      0.658757
  C      -4.844787      0.821709      0.011832
  N      -4.893808      1.157215     -1.263371
  C      -3.787470      0.833759     -2.006361
  C      -3.740641      1.141725     -3.384830
  C      -2.606181      0.810636     -4.102326
  C      -1.536441      0.172161     -3.441628
  N      -1.542998     -0.151549     -2.151169
  C      -2.653470      0.175397     -1.445000
  C      -6.421001      0.935881      6.742228
  C      -6.460059     -0.485861      7.336297
  C      -7.587155     -1.300824      6.733694
  O      -7.199799     -1.573125      5.358199
  C      -8.163798     -1.783024      4.447944
  N      -9.442239     -1.759981      4.787883
  C     -10.341974     -1.997873      3.802167
  N     -10.099259     -2.292987      2.536841
  C      -8.779099     -2.307728      2.171961
  C      -8.404709     -2.585529      0.835019
  C      -7.058872     -2.559425      0.504531
  C      -6.109943     -2.265925      1.496932
  N      -6.412760     -2.009223      2.772904
  C      -7.733643     -2.034300      3.102009
  H      -3.395791      4.397711      2.558005
  H      -4.405693      2.953280      2.444591
  H      -5.057441      5.440200      4.145121
  H      -5.716543      5.107577      2.538292
  H      -7.297138      4.521784      4.427268
  H      -6.130300      3.295448      4.992239
  H     -10.672501      2.277009      5.430490
  H     -11.724500      0.151253      1.425948
  H     -10.371037     -0.261859     -0.668953
  H      -7.993964      0.503872     -0.748694
  H      -1.564715     -1.742193      4.671483
  H      -3.199500     -1.412933      4.080755
  H      -0.581995     -0.248865      2.968512
  H      -2.152955      0.524059      2.696579
  H      -3.041732     -1.739055      1.894407
  H      -1.346328     -2.312051      1.847847
  H      -5.716246      1.081951      0.624858
  H      -4.602934      1.630014     -3.839389
  H      -2.528219      1.033645     -5.167656
  H      -0.630616     -0.089240     -3.999484
  H      -6.775677      0.883307      5.702238
  H      -7.146543      1.580511      7.282053
  H      -5.502005     -0.987264      7.119690
  H      -6.578955     -0.460679      8.430656
  H      -8.545257     -0.761722      6.738968
  H      -7.730720     -2.267538      7.240685
  H     -11.392122     -1.940790      4.104584
  H      -9.184130     -2.803865      0.104504
  H      -6.723130     -2.748495     -0.517167
  H      -5.051969     -2.222695      1.234272
  N      -5.008000      0.556293      3.538159
  H      -5.765492      1.171344      3.213454
  H      -5.449047     -0.376042      3.682124
  H      -4.420694      0.408935      2.700068
99
Coordinates from ORCA-job orca E -6478.960640412747
  N      -3.454105      3.187758      4.292947
  Mo     -3.827979      1.468824      5.217907
  N      -5.102969      1.551953      6.736094
  C      -4.569309      1.938611      8.035122
  C      -3.396672      2.887249      7.812553
  N      -2.516536      2.365909      6.729423
  C      -1.770245      3.455713      6.038837
  C      -2.687561      4.174383      5.059823
  C      -1.612035      1.285432      7.208640
  C      -1.208060      0.397629      6.039004
  N      -2.399139      0.091941      5.251051
  H      -2.064580      4.798937      4.389749
  H      -3.348876      4.879741      5.604202
  H      -0.954341      2.977014      5.479672
  H      -1.324485      4.150178      6.773817
  H      -0.749392     -0.528115      6.436623
  H      -0.421994      0.893707      5.431469
  H      -2.184304      0.688500      7.932454
  H      -0.733249      1.713480      7.724012
  H      -5.335977      2.462418      8.639539
  H      -4.250288      1.060272      8.634026
  H      -3.783247      3.856732      7.469865
  H      -2.815223      3.052112      8.737396
  C      -4.118746      3.768261      3.131055
  C      -5.355732      4.624806      3.469654
  C      -6.492268      3.855648      4.114157
  O      -6.997739      2.919617      3.121643
  C      -8.225353      2.398913      3.297937
  N      -8.902936      2.616306      4.413024
  C     -10.150542      2.082150      4.475566
  N     -10.791655      1.401738      3.544337
  C     -10.092875      1.175465      2.385957
  C     -10.686968      0.484325      1.305607
  C      -9.934604      0.263909      0.165949
  C      -8.597442      0.708055      0.121297
  N      -8.003187      1.374645      1.106594
  C      -8.750387      1.620233      2.215756
  C      -2.214373     -0.943959      4.244201
  C      -1.656500     -0.430124      2.902049
  C      -1.972698     -1.417044      1.791466
  O      -1.749048     -0.877283      0.464416
  C      -2.743383     -0.165549     -0.082281
  N      -3.812586      0.178176      0.623955
  C      -4.811433      0.834811     -0.027663
  N      -4.850557      1.173085     -1.302434
  C      -3.741846      0.843948     -2.039614
  C      -3.683082      1.156949     -3.416626
  C      -2.545468      0.820259     -4.127723
  C      -1.484245      0.173056     -3.461874
  N      -1.501912     -0.154254     -2.172361
  C      -2.615775      0.176568     -1.473030
  C      -6.422351      0.948209      6.750576
  C      -6.481259     -0.466090      7.360314
  C      -7.622187     -1.269877      6.768889
  O      -7.239079     -1.555548      5.396026
  C      -8.203022     -1.800471      4.496149
  N      -9.478833     -1.819133      4.847335
  C     -10.377978     -2.080467      3.867816
  N     -10.137040     -2.357514      2.597872
  C      -8.819490     -2.331803      2.223138
  C      -8.447164     -2.583436      0.880674
  C      -7.104882     -2.512918      0.540260
  C      -6.157454     -2.196907      1.527062
  N      -6.458398     -1.963327      2.808497
  C      -7.775640     -2.032657      3.146702
  H      -3.405256      4.404331      2.570843
  H      -4.415099      2.961025      2.445301
  H      -5.069462      5.433468      4.161354
  H      -5.724945      5.110471      2.551605
  H      -7.312233      4.515089      4.428210
  H      -6.149065      3.287499      4.996066
  H     -10.681796      2.250299      5.417771
  H     -11.714222      0.133400      1.403882
  H     -10.353986     -0.266465     -0.689584
  H      -7.981656      0.510906     -0.761963
  H      -1.560793     -1.742848      4.644668
  H      -3.193794     -1.412380      4.053271
  H      -0.574032     -0.239817      2.956566
  H      -2.144234      0.529824      2.674679
  H      -3.024182     -1.735751      1.867590
  H      -1.326482     -2.304191      1.830439
  H      -5.684493      1.099036      0.580828
  H      -4.538918      1.653587     -3.875206
  H      -2.458794      1.046065     -5.191732
  H      -0.577707     -0.093051     -4.014373
  H      -6.773945      0.889992      5.710009
  H      -7.142000      1.606508      7.280929
  H      -5.531774     -0.984507      7.147186
  H      -6.597311     -0.426477      8.454414
  H      -8.572623     -0.717200      6.772502
  H      -7.780339     -2.229177      7.285030
  H     -11.426244     -2.049835      4.177489
  H      -9.225104     -2.818899      0.154050
  H      -6.772100     -2.683472     -0.485284
  H      -5.102506     -2.118706      1.257173
  N      -5.012460      0.568996      3.530276
  H      -5.766679      1.193927      3.216502
  H      -5.458167     -0.364989      3.640481
  H      -4.422049      0.445329      2.689168
99
Coordinates from ORCA-job orca E -6478.961084591034
  N      -3.445590      3.174402      4.280446
  Mo     -3.834397      1.459956      5.205753
  N      -5.111301      1.562894      6.720137
  C      -4.579286      1.949564      8.019806
  C      -3.395008      2.884100      7.798392
  N      -2.519128      2.349479      6.718398
  C      -1.759758      3.429223      6.026511
  C      -2.668245      4.154998      5.044377
  C      -1.628715      1.259714      7.203409
  C      -1.226804      0.366210      6.037316
  N      -2.415800      0.070278      5.243007
  H      -2.038405      4.769962      4.372048
  H      -3.322078      4.869457      5.585796
  H      -0.947989      2.940424      5.470117
  H      -1.308257      4.121135      6.760342
  H      -0.779190     -0.563007      6.439821
  H      -0.432581      0.853222      5.433460
  H      -2.210828      0.669264      7.924574
  H      -0.748420      1.678991      7.723518
  H      -5.342438      2.484564      8.618577
  H      -4.273021      1.070343      8.623868
  H      -3.769310      3.857182      7.452296
  H      -2.813302      3.044335      8.723690
  C      -4.104101      3.758143      3.116983
  C      -5.331546      4.628909      3.450011
  C      -6.473049      3.875049      4.103338
  O      -6.980879      2.928771      3.121517
  C      -8.200705      2.396761      3.316412
  N      -8.867261      2.615652      4.438198
  C     -10.108519      2.069268      4.520670
  N     -10.754302      1.375741      3.602488
  C     -10.068482      1.151102      2.435877
  C     -10.671428      0.450873      1.366325
  C      -9.933886      0.235753      0.215721
  C      -8.602963      0.695580      0.149903
  N      -8.000351      1.369040      1.125027
  C      -8.733090      1.609173      2.244934
  C      -2.228199     -0.953950      4.224923
  C      -1.658641     -0.427234      2.892532
  C      -1.956044     -1.408556      1.771810
  O      -1.732128     -0.855497      0.450120
  C      -2.731711     -0.150516     -0.096564
  N      -3.807325      0.178911      0.606792
  C      -4.805906      0.837807     -0.043132
  N      -4.839083      1.190701     -1.314099
  C      -3.724792      0.874804     -2.048269
  C      -3.659598      1.203908     -3.421294
  C      -2.516681      0.880507     -4.129553
  C      -1.455780      0.231251     -3.464871
  N      -1.479132     -0.110536     -2.179343
  C      -2.598730      0.206720     -1.482884
  C      -6.443965      0.988883      6.729789
  C      -6.540668     -0.413240      7.361683
  C      -7.685527     -1.206778      6.765163
  O      -7.282182     -1.518115      5.404021
  C      -8.232742     -1.807838      4.503767
  N      -9.509321     -1.857111      4.849681
  C     -10.395989     -2.156281      3.870148
  N     -10.142775     -2.434853      2.602687
  C      -8.823455     -2.381848      2.234893
  C      -8.438225     -2.635220      0.896687
  C      -7.095100     -2.541152      0.562952
  C      -6.160027     -2.196841      1.551927
  N      -6.473802     -1.957307      2.829445
  C      -7.791693     -2.049342      3.160815
  H      -3.382611      4.383426      2.554251
  H      -4.409549      2.951426      2.435162
  H      -5.037603      5.441637      4.133593
  H      -5.697108      5.108558      2.527559
  H      -7.290354      4.542913      4.406619
  H      -6.134852      3.317392      4.993284
  H     -10.629955      2.240021      5.467878
  H     -11.693159      0.089521      1.480798
  H     -10.359995     -0.301873     -0.632041
  H      -7.998687      0.501084     -0.741701
  H      -1.579879     -1.759530      4.620904
  H      -3.207329     -1.417326      4.021888
  H      -0.577996     -0.231063      2.960187
  H      -2.149434      0.531424      2.666735
  H      -3.003519     -1.740462      1.838429
  H      -1.299290     -2.287985      1.807980
  H      -5.683306      1.091603      0.563629
  H      -4.515314      1.701688     -3.879070
  H      -2.424871      1.118781     -5.190325
  H      -0.544620     -0.024161     -4.015034
  H      -6.783952      0.920505      5.686188
  H      -7.155374      1.670832      7.240033
  H      -5.597873     -0.953528      7.174682
  H      -6.674734     -0.352977      8.452681
  H      -8.627034     -0.639126      6.743680
  H      -7.867875     -2.154230      7.294782
  H     -11.445628     -2.152254      4.175600
  H      -9.206783     -2.894132      0.168036
  H      -6.752892     -2.714129     -0.458998
  H      -5.104387     -2.100273      1.288084
  N      -5.032105      0.571166      3.523095
  H      -5.772527      1.211749      3.207078
  H      -5.500306     -0.350854      3.635058
  H      -4.442596      0.435544      2.683074
99
Coordinates from ORCA-job orca E -6478.961493618869
  N      -3.442977      3.172937      4.275163
  Mo     -3.826382      1.453076      5.190434
  N      -5.105620      1.557266      6.701104
  C      -4.578034      1.941742      8.004259
  C      -3.389522      2.873155      7.790250
  N      -2.515080      2.341105      6.707759
  C      -1.754205      3.421172      6.019217
  C      -2.661806      4.150690      5.038855
  C      -1.626398      1.249171      7.191809
  C      -1.220031      0.356687      6.026306
  N      -2.405886      0.060724      5.229362
  H      -2.031391      4.763839      4.365612
  H      -3.313053      4.866636      5.581219
  H      -0.943428      2.932353      5.461483
  H      -1.302161      4.111031      6.754527
  H      -0.774360     -0.571926      6.432809
  H      -0.423234      0.842111      5.425351
  H      -2.209962      0.656626      7.909802
  H      -0.747960      1.666389      7.716586
  H      -5.341782      2.478576      8.600223
  H      -4.279055      1.060511      8.608830
  H      -3.760997      3.849384      7.449788
  H      -2.807335      3.026768      8.716069
  C      -4.107474      3.760299      3.116611
  C      -5.328099      4.639307      3.450048
  C      -6.473690      3.896923      4.110056
  O      -6.981603      2.939227      3.138103
  C      -8.204436      2.415362      3.335180
  N      -8.877160      2.657728      4.448962
  C     -10.117696      2.111292      4.539441
  N     -10.758144      1.394878      3.635256
  C     -10.067923      1.148923      2.475098
  C     -10.669406      0.429770      1.417466
  C      -9.932969      0.200357      0.268872
  C      -8.604475      0.665311      0.194550
  N      -8.002042      1.353659      1.159272
  C      -8.734173      1.609203      2.276330
  C      -2.217476     -0.960294      4.208049
  C      -1.644541     -0.429179      2.878587
  C      -1.915715     -1.415877      1.755144
  O      -1.699658     -0.853661      0.435750
  C      -2.707654     -0.159994     -0.109253
  N      -3.791527      0.147074      0.591583
  C      -4.791943      0.806834     -0.054695
  N      -4.819641      1.180374     -1.319809
  C      -3.699440      0.882683     -2.052410
  C      -3.628281      1.234344     -3.419875
  C      -2.479551      0.929710     -4.126247
  C      -1.418054      0.277112     -3.465437
  N      -1.446291     -0.084137     -2.185560
  C      -2.572139      0.214419     -1.490891
  C      -6.451346      1.012800      6.707190
  C      -6.581807     -0.378913      7.353643
  C      -7.729520     -1.163481      6.751317
  O      -7.316048     -1.491068      5.396959
  C      -8.260131     -1.814658      4.501898
  N      -9.535067     -1.886012      4.852032
  C     -10.417085     -2.208551      3.876757
  N     -10.163181     -2.482729      2.608548
  C      -8.844564     -2.414467      2.239379
  C      -8.458180     -2.667769      0.902257
  C      -7.116005     -2.561253      0.565927
  C      -6.183757     -2.202032      1.551988
  N      -6.500047     -1.960267      2.828505
  C      -7.816308     -2.063409      3.161649
  H      -3.383756      4.380152      2.549979
  H      -4.420533      2.955133      2.437186
  H      -5.028133      5.454525      4.127868
  H      -5.690813      5.115562      2.525254
  H      -7.290954      4.570068      4.401967
  H      -6.140167      3.348238      5.006192
  H     -10.643923      2.304943      5.479682
  H     -11.689981      0.068008      1.538687
  H     -10.358864     -0.349638     -0.571223
  H      -8.003099      0.460585     -0.696618
  H      -1.570330     -1.768096      4.601867
  H      -3.195541     -1.423834      4.000880
  H      -0.567636     -0.217659      2.956036
  H      -2.147324      0.521679      2.647566
  H      -2.954529     -1.772623      1.815170
  H      -1.238182     -2.278948      1.791796
  H      -5.673480      1.047353      0.551631
  H      -4.484099      1.734495     -3.874725
  H      -2.382577      1.185429     -5.182506
  H      -0.501661      0.036245     -4.014096
  H      -6.783472      0.938840      5.661988
  H      -7.153030      1.714667      7.202156
  H      -5.645550     -0.937593      7.188368
  H      -6.730519     -0.304239      8.441763
  H      -8.664841     -0.586205      6.713657
  H      -7.926327     -2.103368      7.288723
  H     -11.465328     -2.230880      4.186987
  H      -9.224648     -2.940653      0.176106
  H      -6.773456     -2.735684     -0.455325
  H      -5.128325     -2.095940      1.287847
  N      -5.041623      0.562921      3.522154
  H      -5.781079      1.210424      3.217441
  H      -5.518924     -0.351078      3.653103
  H      -4.465516      0.420447      2.674083
99
Coordinates from ORCA-job orca E -6478.961810900410
  N      -3.435499      3.162384      4.259667
  Mo     -3.824711      1.440812      5.167000
  N      -5.111629      1.555472      6.669022
  C      -4.591116      1.939781      7.975823
  C      -3.394031      2.862296      7.770957
  N      -2.518076      2.323937      6.692099
  C      -1.747205      3.398164      6.006367
  C      -2.647747      4.133955      5.024151
  C      -1.637473      1.227794      7.181820
  C      -1.227423      0.331844      6.019807
  N      -2.409864      0.039727      5.218062
  H      -2.012989      4.742401      4.350935
  H      -3.294158      4.854414      5.566142
  H      -0.937378      2.904781      5.451533
  H      -1.294088      4.086339      6.742834
  H      -0.787193     -0.597499      6.430986
  H      -0.425368      0.813254      5.422476
  H      -2.227359      0.637913      7.896939
  H      -0.760424      1.641659      7.711398
  H      -5.355850      2.482994      8.565104
  H      -4.304154      1.057289      8.584489
  H      -3.755461      3.841932      7.429499
  H      -2.815470      3.010479      8.699996
  C      -4.098319      3.758618      3.104365
  C      -5.308475      4.651280      3.439135
  C      -6.459335      3.925720      4.108074
  O      -6.971035      2.957090      3.148387
  C      -8.192463      2.433072      3.354339
  N      -8.865641      2.689146      4.464462
  C     -10.101454      2.134052      4.566576
  N     -10.736683      1.394546      3.677282
  C     -10.047165      1.136793      2.519305
  C     -10.646177      0.398040      1.474012
  C      -9.912693      0.162245      0.324720
  C      -8.588490      0.638540      0.239711
  N      -7.988466      1.344037      1.192984
  C      -8.718606      1.607530      2.309360
  C      -2.225318     -0.978172      4.194622
  C      -1.648360     -0.440955      2.870054
  C      -1.909097     -1.422849      1.739802
  O      -1.699488     -0.845401      0.425773
  C      -2.706384     -0.142397     -0.109386
  N      -3.788932      0.163773      0.594635
  C      -4.783489      0.838830     -0.045411
  N      -4.808124      1.226684     -1.306138
  C      -3.691514      0.926229     -2.042326
  C      -3.618447      1.289989     -3.406476
  C      -2.473362      0.980146     -4.117083
  C      -1.417646      0.310153     -3.463967
  N      -1.447995     -0.061453     -2.187217
  C      -2.569864      0.242969     -1.488111
  C      -6.469011      1.041482      6.670384
  C      -6.637581     -0.331598      7.346393
  C      -7.790246     -1.105309      6.741214
  O      -7.357742     -1.459289      5.400601
  C      -8.286000     -1.825000      4.506385
  N      -9.560702     -1.928794      4.850826
  C     -10.426064     -2.285368      3.872822
  N     -10.155950     -2.560795      2.607693
  C      -8.837392     -2.464718      2.247418
  C      -8.434260     -2.722464      0.916312
  C      -7.092123     -2.588538      0.589652
  C      -6.176751     -2.198227      1.580100
  N      -6.510258     -1.950745      2.851271
  C      -7.825900     -2.080903      3.174296
  H      -3.368912      4.370428      2.536819
  H      -4.421718      2.957253      2.424830
  H      -4.998229      5.467402      4.111509
  H      -5.668715      5.126199      2.512510
  H      -7.273290      4.607945      4.387659
  H      -6.131400      3.388069      5.012676
  H     -10.627729      2.340282      5.504038
  H     -11.663589      0.029474      1.603788
  H     -10.337423     -0.400080     -0.507745
  H      -7.990052      0.428829     -0.652190
  H      -1.584832     -1.793212      4.585069
  H      -3.206259     -1.433855      3.981829
  H      -0.572722     -0.224515      2.954506
  H      -2.155203      0.508336      2.640200
  H      -2.943438     -1.792300      1.795937
  H      -1.221334     -2.278008      1.769160
  H      -5.663324      1.080879      0.562836
  H      -4.470055      1.802876     -3.855886
  H      -2.375141      1.243834     -5.171182
  H      -0.505814      0.063301     -4.016506
  H      -6.789236      0.951088      5.623087
  H      -7.162255      1.768788      7.140815
  H      -5.710905     -0.913128      7.209650
  H      -6.803098     -0.230291      8.430089
  H      -8.713424     -0.510692      6.677201
  H      -8.014878     -2.030759      7.292580
  H     -11.475366     -2.340737      4.177459
  H      -9.187552     -3.022011      0.187068
  H      -6.737477     -2.765153     -0.427138
  H      -5.122212     -2.067520      1.324658
  N      -5.038983      0.554186      3.497041
  H      -5.765744      1.214742      3.189676
  H      -5.534905     -0.352100      3.626777
  H      -4.460246      0.403484      2.653916
99
Coordinates from ORCA-job orca E -6478.962074863956
  N      -3.424412      3.170592      4.253728
  Mo     -3.820684      1.446320      5.152058
  N      -5.115806      1.563375      6.644735
  C      -4.602076      1.946066      7.955620
  C      -3.398204      2.861783      7.760735
  N      -2.518944      2.322319      6.685235
  C      -1.740318      3.394463      6.005005
  C      -2.633843      4.137021      5.021401
  C      -1.644931      1.222483      7.177942
  C      -1.231844      0.325519      6.017890
  N      -2.410981      0.039509      5.210305
  H      -1.993591      4.742327      4.350281
  H      -3.277646      4.860854      5.562199
  H      -0.931398      2.897936      5.451533
  H      -1.285877      4.078561      6.744611
  H      -0.798436     -0.605692      6.432166
  H      -0.423614      0.803439      5.425333
  H      -2.240997      0.634009      7.889402
  H      -0.769612      1.633215      7.712833
  H      -5.368593      2.493983      8.538206
  H      -4.325493      1.061869      8.566516
  H      -3.751831      3.845107      7.421437
  H      -2.823992      3.002883      8.693700
  C      -4.087866      3.770939      3.100492
  C      -5.293081      4.669139      3.440458
  C      -6.442648      3.947668      4.116330
  O      -6.958934      2.973535      3.164020
  C      -8.176542      2.446548      3.383074
  N      -8.841494      2.710368      4.495948
  C     -10.073331      2.150001      4.614072
  N     -10.712821      1.398416      3.738292
  C     -10.033245      1.133531      2.576138
  C     -10.638067      0.380819      1.544297
  C      -9.914326      0.135820      0.391169
  C      -8.593482      0.617913      0.288470
  N      -7.988379      1.336977      1.228506
  C      -8.709045      1.608988      2.349400
  C      -2.231559     -0.976690      4.184363
  C      -1.648621     -0.443052      2.861483
  C      -1.897518     -1.428743      1.731396
  O      -1.684643     -0.850455      0.418568
  C      -2.691347     -0.150338     -0.117948
  N      -3.782418      0.138470      0.579980
  C      -4.775981      0.813467     -0.061295
  N      -4.792386      1.217163     -1.317249
  C      -3.666901      0.933734     -2.047436
  C      -3.583212      1.316124     -3.406006
  C      -2.429206      1.023264     -4.109754
  C      -1.375979      0.350608     -3.455588
  N      -1.415832     -0.037949     -2.184076
  C      -2.545949      0.250536     -1.491441
  C      -6.480686      1.066989      6.640458
  C      -6.669712     -0.301485      7.321729
  C      -7.824563     -1.069661      6.710712
  O      -7.390407     -1.429322      5.371778
  C      -8.315657     -1.829634      4.488424
  N      -9.585614     -1.957965      4.843189
  C     -10.448333     -2.350957      3.875942
  N     -10.179541     -2.641968      2.613831
  C      -8.865437     -2.521171      2.243514
  C      -8.463340     -2.790640      0.914199
  C      -7.126326     -2.631933      0.577715
  C      -6.214397     -2.205627      1.556340
  N      -6.546695     -1.945627      2.825308
  C      -7.857583     -2.099298      3.158254
  H      -3.358167      4.379413      2.530055
  H      -4.417540      2.970873      2.422012
  H      -4.976856      5.485576      4.109785
  H      -5.656673      5.143623      2.514513
  H      -7.254743      4.632526      4.394729
  H      -6.112057      3.412816      5.021842
  H     -10.591875      2.362077      5.554483
  H     -11.651800      0.007269      1.688294
  H     -10.342699     -0.440205     -0.429359
  H      -8.002147      0.400853     -0.606717
  H      -1.597853     -1.796902      4.574539
  H      -3.215636     -1.424973      3.969049
  H      -0.574452     -0.221819      2.952976
  H      -2.157353      0.503706      2.625167
  H      -2.930217     -1.808102      1.782673
  H      -1.202401     -2.277861      1.762952
  H      -5.663181      1.039456      0.542006
  H      -4.433237      1.830180     -3.856562
  H      -2.322522      1.301908     -5.159300
  H      -0.458167      0.116147     -4.002719
  H      -6.796316      0.974625      5.591659
  H      -7.166615      1.806826      7.102920
  H      -5.747557     -0.891908      7.193867
  H      -6.842889     -0.193623      8.403807
  H      -8.743695     -0.468968      6.640172
  H      -8.058140     -1.992528      7.262859
  H     -11.494611     -2.425657      4.187325
  H      -9.214078     -3.115251      0.192941
  H      -6.773624     -2.816391     -0.438519
  H      -5.165052     -2.052886      1.292649
  N      -5.034120      0.562736      3.478911
  H      -5.752471      1.231828      3.171580
  H      -5.540283     -0.336345      3.619289
  H      -4.457877      0.397676      2.636889
99
Coordinates from ORCA-job orca E -6478.962309130285
  N      -3.429516      3.177031      4.248731
  Mo     -3.829566      1.448633      5.136017
  N      -5.122941      1.561007      6.629997
  C      -4.606923      1.938400      7.942091
  C      -3.398895      2.849082      7.752315
  N      -2.523112      2.311105      6.673880
  C      -1.741098      3.383202      5.997618
  C      -2.632873      4.135527      5.019420
  C      -1.653284      1.206261      7.162396
  C      -1.245214      0.310942      5.999456
  N      -2.426158      0.032139      5.192319
  H      -1.990321      4.740023      4.349805
  H      -3.271438      4.860506      5.564754
  H      -0.934863      2.886674      5.440332
  H      -1.282860      4.062066      6.739826
  H      -0.813412     -0.622339      6.410623
  H      -0.436186      0.788538      5.407484
  H      -2.251607      0.618055      7.872214
  H      -0.775919      1.611716      7.697860
  H      -5.372020      2.487481      8.525471
  H      -4.335539      1.050640      8.550024
  H      -3.746267      3.836903      7.419839
  H      -2.823544      2.980629      8.685937
  C      -4.088854      3.785006      3.096912
  C      -5.285429      4.694311      3.437822
  C      -6.440234      3.987092      4.118459
  O      -6.957785      3.005325      3.175379
  C      -8.171538      2.474935      3.406114
  N      -8.839109      2.759224      4.512389
  C     -10.066372      2.191489      4.642135
  N     -10.698520      1.413595      3.784266
  C     -10.016073      1.126979      2.628824
  C     -10.613233      0.344809      1.614720
  C      -9.886771      0.080225      0.467650
  C      -8.570082      0.571592      0.354768
  N      -7.972190      1.317895      1.277934
  C      -8.696551      1.610037      2.391481
  C      -2.252258     -0.984340      4.165997
  C      -1.657876     -0.455511      2.846231
  C      -1.900464     -1.441072      1.714461
  O      -1.680805     -0.863057      0.402672
  C      -2.678801     -0.151570     -0.134059
  N      -3.772166      0.139679      0.559613
  C      -4.755164      0.828817     -0.082209
  N      -4.759786      1.245194     -1.333918
  C      -3.632048      0.959032     -2.059756
  C      -3.536492      1.353382     -3.413665
  C      -2.381429      1.055225     -4.113191
  C      -1.338633      0.366584     -3.459117
  N      -1.389651     -0.032961     -2.191274
  C      -2.521197      0.260137     -1.503114
  C      -6.493718      1.081339      6.629970
  C      -6.700923     -0.282996      7.314735
  C      -7.860655     -1.036306      6.693516
  O      -7.418769     -1.393360      5.357420
  C      -8.335510     -1.828872      4.482525
  N      -9.600263     -1.985801      4.844389
  C     -10.454728     -2.414557      3.885136
  N     -10.181671     -2.715002      2.625914
  C      -8.873392     -2.564690      2.248856
  C      -8.467339     -2.842336      0.922127
  C      -7.135201     -2.655409      0.580463
  C      -6.232171     -2.192160      1.550917
  N      -6.569174     -1.922730      2.816740
  C      -7.874768     -2.104550      3.154831
  H      -3.354536      4.387591      2.526159
  H      -4.426191      2.988540      2.418134
  H      -4.960680      5.510146      4.103826
  H      -5.646094      5.168991      2.510817
  H      -7.249347      4.680207      4.384990
  H      -6.116611      3.460217      5.030964
  H     -10.588359      2.422254      5.576320
  H     -11.623597     -0.034728      1.766909
  H     -10.309146     -0.518837     -0.339457
  H      -7.976173      0.337237     -0.534211
  H      -1.627268     -1.810885      4.557032
  H      -3.239540     -1.423498      3.946109
  H      -0.583575     -0.238377      2.946288
  H      -2.160684      0.492915      2.604489
  H      -2.932312     -1.822914      1.760397
  H      -1.203921     -2.288862      1.748413
  H      -5.643838      1.056219      0.518420
  H      -4.378416      1.879988     -3.864557
  H      -2.265584      1.342597     -5.159384
  H      -0.419298      0.128597     -4.003307
  H      -6.812755      0.989404      5.582388
  H      -7.167754      1.832512      7.091018
  H      -5.784559     -0.883378      7.194082
  H      -6.881936     -0.171813      8.394933
  H      -8.771029     -0.422349      6.616772
  H      -8.113293     -1.956749      7.240981
  H     -11.497673     -2.512669      4.200341
  H      -9.211235     -3.195145      0.206966
  H      -6.780401     -2.846179     -0.433978
  H      -5.187393     -2.015882      1.283302
  N      -5.054949      0.579308      3.463173
  H      -5.760803      1.261769      3.156146
  H      -5.579406     -0.308707      3.607354
  H      -4.483424      0.396774      2.621387
99
Coordinates from ORCA-job orca E -6478.962519873866
  N      -3.423595      3.174805      4.240056
  Mo     -3.834376      1.449054      5.127185
  N      -5.127919      1.565580      6.620484
  C      -4.610446      1.940649      7.933171
  C      -3.397214      2.844401      7.744579
  N      -2.523195      2.302329      6.666636
  C      -1.735885      3.370759      5.990895
  C      -2.622984      4.128455      5.012272
  C      -1.658890      1.193265      7.155460
  C      -1.256661      0.295921      5.992107
  N      -2.440062      0.023250      5.186447
  H      -1.976090      4.729616      4.343855
  H      -3.258207      4.856690      5.557109
  H      -0.931984      2.870282      5.433726
  H      -1.274305      4.046693      6.733635
  H      -0.828379     -0.639618      6.401909
  H      -0.446256      0.770354      5.399624
  H      -2.260285      0.608703      7.865644
  H      -0.779115      1.594383      7.690157
  H      -5.373185      2.494205      8.515218
  H      -4.345068      1.051358      8.541448
  H      -3.738071      3.834860      7.413219
  H      -2.822291      2.971438      8.679134
  C      -4.074130      3.785437      3.084779
  C      -5.264958      4.703834      3.421763
  C      -6.426746      4.007246      4.101376
  O      -6.952095      3.028074      3.160594
  C      -8.161965      2.495560      3.405101
  N      -8.825037      2.793287      4.510788
  C     -10.049167      2.222030      4.655326
  N     -10.681519      1.427944      3.813111
  C     -10.002737      1.124772      2.659530
  C     -10.600958      0.324240      1.660787
  C      -9.879600      0.046309      0.513615
  C      -8.566011      0.542127      0.386390
  N      -7.967149      1.305705      1.294622
  C      -8.687459      1.611824      2.406993
  C      -2.271441     -0.993264      4.159295
  C      -1.671268     -0.465253      2.842124
  C      -1.915154     -1.448087      1.708470
  O      -1.691399     -0.868188      0.398035
  C      -2.683370     -0.147848     -0.138819
  N      -3.780604      0.141558      0.550180
  C      -4.755736      0.842078     -0.091500
  N      -4.748281      1.274223     -1.337647
  C      -3.616179      0.991154     -2.058237
  C      -3.507335      1.403216     -3.405700
  C      -2.348362      1.107390     -4.099836
  C      -1.314996      0.404227     -3.446660
  N      -1.378115     -0.011240     -2.184380
  C      -2.513535      0.279098     -1.501723
  C      -6.502941      1.098580      6.619171
  C      -6.725604     -0.262162      7.307232
  C      -7.889906     -1.005371      6.681607
  O      -7.445528     -1.364716      5.347112
  C      -8.354152     -1.834656      4.481959
  N      -9.613344     -2.019714      4.850666
  C     -10.458652     -2.485820      3.900485
  N     -10.180936     -2.798518      2.645428
  C      -8.878458     -2.617985      2.261413
  C      -8.467533     -2.906563      0.938612
  C      -7.141755     -2.688734      0.590406
  C      -6.249967     -2.182250      1.549466
  N      -6.591649     -1.900752      2.811137
  C      -7.890702     -2.114911      3.156262
  H      -3.334079      4.382809      2.516034
  H      -4.414279      2.990725      2.405687
  H      -4.934688      5.517329      4.087698
  H      -5.620142      5.180831      2.493974
  H      -7.229870      4.708523      4.364761
  H      -6.109672      3.478681      5.015180
  H     -10.568386      2.465708      5.588021
  H     -11.609193     -0.056962      1.823278
  H     -10.303731     -0.566579     -0.282514
  H      -7.975554      0.297029     -0.501684
  H      -1.652023     -1.824817      4.549257
  H      -3.261212     -1.424948      3.937027
  H      -0.596398     -0.252817      2.945437
  H      -2.169051      0.485806      2.600323
  H      -2.947350     -1.827283      1.752455
  H      -1.221199     -2.298086      1.741607
  H      -5.646783      1.068311      0.506375
  H      -4.342286      1.940998     -3.856441
  H      -2.222451      1.407934     -5.141145
  H      -0.392260      0.168150     -3.986790
  H      -6.820401      1.006199      5.571648
  H      -7.169763      1.858172      7.076164
  H      -5.814388     -0.871300      7.191113
  H      -6.910751     -0.146350      8.385923
  H      -8.793867     -0.381957      6.601500
  H      -8.155554     -1.922860      7.227564
  H     -11.497233     -2.610966      4.221384
  H      -9.203203     -3.291073      0.231200
  H      -6.783999     -2.888540     -0.421119
  H      -5.211069     -1.981105      1.275929
  N      -5.058649      0.588177      3.448539
  H      -5.757372      1.276444      3.138543
  H      -5.590122     -0.295972      3.587319
  H      -4.485250      0.401621      2.609143
99
Coordinates from ORCA-job orca E -6478.962722260340
  N      -3.419128      3.172644      4.226507
  Mo     -3.843606      1.449505      5.113472
  N      -5.136606      1.570195      6.606445
  C      -4.617710      1.941869      7.919888
  C      -3.399077      2.838136      7.732427
  N      -2.526902      2.291740      6.654604
  C      -1.732566      3.355923      5.980462
  C      -2.613055      4.119923      5.000863
  C      -1.668860      1.177576      7.143333
  C      -1.274025      0.278398      5.978671
  N      -2.460719      0.013014      5.175673
  H      -1.960564      4.717065      4.334272
  H      -3.243838      4.852387      5.545271
  H      -0.931179      2.850476      5.424130
  H      -1.267403      4.028221      6.724297
  H      -0.849813     -0.660347      6.385366
  H      -0.462568      0.749755      5.385354
  H      -2.273308      0.597186      7.854208
  H      -0.786193      1.574210      7.676422
  H      -5.377510      2.500416      8.500979
  H      -4.358635      1.050652      8.528002
  H      -3.732672      3.831432      7.402089
  H      -2.824840      2.960182      8.668183
  C      -4.058828      3.787371      3.067721
  C      -5.239701      4.719948      3.400780
  C      -6.407654      4.038749      4.085506
  O      -6.945735      3.058959      3.152822
  C      -8.154527      2.531365      3.411074
  N      -8.817470      2.854656      4.509690
  C     -10.040702      2.284945      4.669220
  N     -10.670412      1.466088      3.849455
  C      -9.991461      1.135041      2.703633
  C     -10.584952      0.301716      1.729511
  C      -9.864879     -0.001247      0.587702
  C      -8.556329      0.502478      0.442372
  N      -7.960688      1.293619      1.328711
  C      -8.679656      1.623107      2.434895
  C      -2.299399     -1.005743      4.149288
  C      -1.689558     -0.481073      2.835249
  C      -1.928868     -1.462928      1.699821
  O      -1.700928     -0.879249      0.391610
  C      -2.688402     -0.151058     -0.143380
  N      -3.791933      0.127441      0.540329
  C      -4.760903      0.839840     -0.097964
  N      -4.741865      1.293630     -1.336249
  C      -3.603007      1.022111     -2.051171
  C      -3.480079      1.459783     -3.389364
  C      -2.314144      1.175555     -4.077423
  C      -1.288326      0.458794     -3.427532
  N      -1.364334      0.019735     -2.173876
  C      -2.506286      0.298527     -1.497182
  C      -6.515653      1.116507      6.601688
  C      -6.754245     -0.240500      7.293224
  C      -7.920730     -0.977018      6.664320
  O      -7.473385     -1.339424      5.331855
  C      -8.370898     -1.843928      4.475529
  N      -9.625423     -2.053843      4.847307
  C     -10.456879     -2.559837      3.905279
  N     -10.170723     -2.884828      2.655456
  C      -8.873299     -2.676374      2.268324
  C      -8.453768     -2.975410      0.950917
  C      -7.133401     -2.730142      0.600319
  C      -6.255832     -2.184337      1.551231
  N      -6.606295     -1.890244      2.807116
  C      -7.899741     -2.133106      3.154975
  H      -3.310835      4.375565      2.499753
  H      -4.405653      2.994905      2.389615
  H      -4.899175      5.531840      4.063384
  H      -5.591696      5.197824      2.472314
  H      -7.201907      4.750621      4.347140
  H      -6.094530      3.510351      5.000826
  H     -10.560437      2.552131      5.595086
  H     -11.589925     -0.082675      1.904510
  H     -10.285625     -0.640468     -0.189163
  H      -7.966391      0.238942     -0.440658
  H      -1.688850     -1.843224      4.540950
  H      -3.292248     -1.427830      3.923700
  H      -0.614806     -0.271482      2.944962
  H      -2.183120      0.471513      2.590695
  H      -2.960257     -1.843504      1.739473
  H      -1.234483     -2.312566      1.733761
  H      -5.657583      1.054224      0.496231
  H      -4.309541      2.007750     -3.838527
  H      -2.177677      1.495602     -5.111530
  H      -0.361289      0.231104     -3.962865
  H      -6.829109      1.023852      5.553024
  H      -7.176483      1.883882      7.054317
  H      -5.847582     -0.857844      7.183735
  H      -6.944535     -0.118777      8.370284
  H      -8.820196     -0.347075      6.581185
  H      -8.195648     -1.892093      7.209186
  H     -11.492509     -2.705413      4.227206
  H      -9.179240     -3.388009      0.248939
  H      -6.769223     -2.939393     -0.406769
  H      -5.221673     -1.960907      1.275333
  N      -5.068099      0.597523      3.428339
  H      -5.757139      1.293144      3.113106
  H      -5.610218     -0.280599      3.563837
  H      -4.493370      0.403986      2.591609
99
Coordinates from ORCA-job orca E -6478.962922549364
  N      -3.413282      3.168512      4.217045
  Mo     -3.856457      1.450391      5.106171
  N      -5.149876      1.578760      6.598006
  C      -4.629933      1.946179      7.912161
  C      -3.404273      2.833121      7.725895
  N      -2.534624      2.280683      6.648753
  C      -1.730805      3.339369      5.976720
  C      -2.602232      4.109605      4.993996
  C      -1.685592      1.159346      7.137829
  C      -1.297899      0.258171      5.972157
  N      -2.486701      0.002130      5.168958
  H      -1.942545      4.701585      4.329801
  H      -3.228898      4.847247      5.536287
  H      -0.931593      2.827677      5.422935
  H      -1.262727      4.008045      6.721975
  H      -0.880401     -0.684515      6.376536
  H      -0.483491      0.724925      5.379361
  H      -2.294944      0.583837      7.848366
  H      -0.800094      1.549427      7.670839
  H      -5.385903      2.510972      8.492152
  H      -4.378614      1.052848      8.520346
  H      -3.729441      3.829202      7.395470
  H      -2.830570      2.950180      8.662646
  C      -4.038212      3.785246      3.051515
  C      -5.207845      4.735951      3.372885
  C      -6.385048      4.075829      4.062356
  O      -6.936426      3.096037      3.137491
  C      -8.141052      2.569085      3.413860
  N      -8.797156      2.909275      4.511537
  C     -10.014975      2.334490      4.692963
  N     -10.643848      1.491479      3.897483
  C      -9.971959      1.141905      2.752989
  C     -10.564076      0.278159      1.805012
  C      -9.852961     -0.040887      0.661795
  C      -8.553348      0.477003      0.490334
  N      -7.958205      1.294309      1.352993
  C      -8.668595      1.638595      2.459831
  C      -2.328897     -1.014720      4.139167
  C      -1.711693     -0.489511      2.828389
  C      -1.949507     -1.468384      1.689649
  O      -1.716550     -0.882004      0.383362
  C      -2.697380     -0.143294     -0.150070
  N      -3.804481      0.132644      0.528967
  C      -4.765566      0.857791     -0.107271
  N      -4.735235      1.326712     -1.339579
  C      -3.593043      1.057009     -2.049727
  C      -3.458254      1.510742     -3.381366
  C      -2.289579      1.227668     -4.065251
  C      -1.272756      0.496260     -3.417710
  N      -1.359722      0.042355     -2.170050
  C      -2.504450      0.320093     -1.497414
  C      -6.532961      1.137461      6.587994
  C      -6.786918     -0.217295      7.278897
  C      -7.951535     -0.949201      6.641745
  O      -7.497281     -1.312815      5.311900
  C      -8.380788     -1.854966      4.464303
  N      -9.630539     -2.088910      4.838455
  C     -10.447301     -2.631913      3.904376
  N     -10.152048     -2.970839      2.660450
  C      -8.858963     -2.737878      2.271525
  C      -8.430110     -3.048566      0.960099
  C      -7.114566     -2.779625      0.607521
  C      -6.251473     -2.198632      1.551009
  N      -6.611902     -1.890843      2.800394
  C      -7.900320     -2.156818      3.150225
  H      -3.279122      4.360123      2.484409
  H      -4.391819      2.993431      2.376220
  H      -4.857743      5.548901      4.029174
  H      -5.552930      5.210577      2.440268
  H      -7.168872      4.800758      4.319452
  H      -6.079101      3.549101      4.981097
  H     -10.529824      2.618926      5.616412
  H     -11.562053     -0.115455      1.999120
  H     -10.273334     -0.704074     -0.094823
  H      -7.969984      0.202765     -0.393720
  H      -1.724994     -1.856996      4.530643
  H      -3.323476     -1.429915      3.909181
  H      -0.636760     -0.283558      2.942516
  H      -2.201028      0.465490      2.584882
  H      -2.981467     -1.847847      1.724846
  H      -1.256656     -2.319160      1.723817
  H      -5.664672      1.070217      0.484240
  H      -4.280930      2.069733     -3.829276
  H      -2.144206      1.559873     -5.094302
  H      -0.343394      0.269296     -3.949446
  H      -6.841815      1.046616      5.537707
  H      -7.189147      1.910521      7.037751
  H      -5.883072     -0.840484      7.179220
  H      -6.986478     -0.092151      8.353922
  H      -8.848244     -0.315733      6.553239
  H      -8.233536     -1.863394      7.184257
  H     -11.479111     -2.799060      4.228251
  H      -9.145118     -3.488300      0.263693
  H      -6.743173     -2.997934     -0.395001
  H      -5.222066     -1.955144      1.273531
  N      -5.083535      0.605425      3.419235
  H      -5.768309      1.303961      3.101173
  H      -5.630149     -0.270053      3.554405
  H      -4.508590      0.409993      2.583158
99
Coordinates from ORCA-job orca E -6478.963124894006
  N      -3.405794      3.156162      4.200899
  Mo     -3.873659      1.446983      5.096819
  N      -5.170853      1.587258      6.584628
  C      -4.653317      1.952648      7.899464
  C      -3.420487      2.830305      7.714604
  N      -2.550786      2.268689      6.642199
  C      -1.734145      3.319311      5.972462
  C      -2.592274      4.093048      4.981194
  C      -1.713451      1.140308      7.136075
  C      -1.329253      0.235878      5.971752
  N      -2.517349     -0.011992      5.163946
  H      -1.922747      4.678150      4.320611
  H      -3.216972      4.837153      5.517000
  H      -0.935617      2.799229      5.425404
  H      -1.265433      3.986157      6.718877
  H      -0.920533     -0.710384      6.376633
  H      -0.509520      0.696935      5.381847
  H      -2.329988      0.570798      7.845216
  H      -0.826475      1.523506      7.671534
  H      -5.406404      2.524596      8.476230
  H      -4.410451      1.058665      8.510068
  H      -3.737915      3.827402      7.379589
  H      -2.849302      2.946564      8.653030
  C      -4.008899      3.772081      3.024027
  C      -5.161923      4.748963      3.325260
  C      -6.350129      4.121025      4.025003
  O      -6.920057      3.138280      3.114809
  C      -8.120296      2.616813      3.416086
  N      -8.765511      2.982504      4.511881
  C      -9.976681      2.404762      4.724345
  N     -10.606814      1.530935      3.963537
  C      -9.946925      1.155391      2.820380
  C     -10.540254      0.253699      1.909245
  C      -9.843407     -0.088822      0.763809
  C      -8.555795      0.444226      0.554444
  N      -7.958653      1.294524      1.383406
  C      -8.654760      1.659601      2.492270
  C      -2.356402     -1.025678      4.130645
  C      -1.729791     -0.494674      2.826286
  C      -1.957865     -1.467514      1.680273
  O      -1.719471     -0.871017      0.379543
  C      -2.698933     -0.129026     -0.152035
  N      -3.812587      0.133182      0.521510
  C      -4.772399      0.862080     -0.112637
  N      -4.734333      1.347032     -1.338506
  C      -3.585538      1.091078     -2.042885
  C      -3.442557      1.562289     -3.367744
  C      -2.267646      1.292990     -4.046357
  C      -1.252781      0.557244     -3.400665
  N      -1.347245      0.086980     -2.159639
  C      -2.498137      0.351576     -1.491949
  C      -6.556416      1.154376      6.564465
  C      -6.821538     -0.196983      7.257506
  C      -7.982278     -0.930269      6.616392
  O      -7.522482     -1.293481      5.288207
  C      -8.390991     -1.873085      4.450794
  N      -9.634651     -2.132711      4.829400
  C     -10.437507     -2.708677      3.903302
  N     -10.135037     -3.058287      2.664106
  C      -8.847312     -2.801053      2.271838
  C      -8.412386     -3.119305      0.964573
  C      -7.103963     -2.823769      0.606293
  C      -6.253901     -2.211539      1.542021
  N      -6.620975     -1.896338      2.787405
  C      -7.902626     -2.186096      3.142182
  H      -3.234193      4.326058      2.456987
  H      -4.372219      2.979243      2.354891
  H      -4.798714      5.566534      3.968722
  H      -5.497345      5.214096      2.384430
  H      -7.120039      4.863443      4.274031
  H      -6.052140      3.600976      4.950395
  H     -10.483668      2.714744      5.643846
  H     -11.528599     -0.149378      2.131491
  H     -10.265225     -0.782299      0.036065
  H      -7.983591      0.154224     -0.331989
  H      -1.757618     -1.871051      4.522798
  H      -3.350646     -1.437151      3.892454
  H      -0.655886     -0.288381      2.948845
  H      -2.218337      0.461174      2.585033
  H      -2.988770     -1.851031      1.706161
  H      -1.262254     -2.315920      1.713563
  H      -5.676449      1.063403      0.475248
  H      -4.263898      2.123636     -3.814821
  H      -2.115888      1.639439     -5.069808
  H      -0.318221      0.341026     -3.927857
  H      -6.856491      1.061899      5.511570
  H      -7.213735      1.930831      7.007190
  H      -5.919138     -0.823996      7.169045
  H      -7.028980     -0.066215      8.330591
  H      -8.880475     -0.299221      6.524392
  H      -8.263388     -1.845022      7.158449
  H     -11.464411     -2.897681      4.231027
  H      -9.117721     -3.585021      0.275010
  H      -6.728192     -3.046030     -0.393775
  H      -5.231463     -1.945097      1.260482
  N      -5.098488      0.606729      3.406243
  H      -5.776951      1.306914      3.078504
  H      -5.650991     -0.266097      3.539949
  H      -4.518430      0.407689      2.574617
99
Coordinates from ORCA-job orca E -6478.963300428094
  N      -3.401981      3.144738      4.183359
  Mo     -3.891923      1.443860      5.085274
  N      -5.192251      1.593810      6.569880
  C      -4.677262      1.959063      7.884469
  C      -3.439113      2.829774      7.700809
  N      -2.569750      2.260727      6.632662
  C      -1.742162      3.304720      5.965791
  C      -2.589049      4.080063      4.966505
  C      -1.742596      1.126070      7.130738
  C      -1.360584      0.217333      5.969062
  N      -2.546878     -0.023744      5.155003
  H      -1.911474      4.659826      4.309253
  H      -3.213752      4.828940      5.495715
  H      -0.943255      2.778506      5.425130
  H      -1.274581      3.970889      6.713384
  H      -0.960951     -0.731182      6.377549
  H      -0.534772      0.671414      5.382223
  H      -2.365294      0.561710      7.838542
  H      -0.854550      1.502720      7.669114
  H      -5.428464      2.536302      8.458440
  H      -4.440783      1.065263      8.497876
  H      -3.751657      3.826957      7.361240
  H      -2.869473      2.946701      8.639989
  C      -3.986760      3.757382      2.996461
  C      -5.122385      4.759255      3.278836
  C      -6.317898      4.163936      3.994096
  O      -6.907881      3.177363      3.100760
  C      -8.107071      2.666788      3.421404
  N      -8.744786      3.056432      4.513129
  C      -9.951218      2.479125      4.749842
  N     -10.582071      1.579661      4.019164
  C      -9.932285      1.182918      2.877514
  C     -10.527854      0.254211      1.995244
  C      -9.844338     -0.104256      0.846323
  C      -8.566717      0.439674      0.606048
  N      -7.966613      1.312320      1.409353
  C      -8.649660      1.691918      2.520894
  C      -2.383066     -1.037635      4.121522
  C      -1.751740     -0.505008      2.819934
  C      -1.972432     -1.473643      1.668628
  O      -1.728343     -0.868198      0.373163
  C      -2.703530     -0.120084     -0.156618
  N      -3.822055      0.135095      0.511346
  C      -4.774879      0.874748     -0.120756
  N      -4.725776      1.375686     -1.339882
  C      -3.572389      1.125903     -2.038538
  C      -3.417630      1.614182     -3.356179
  C      -2.238113      1.350673     -4.029167
  C      -1.230311      0.603470     -3.385309
  N      -1.335824      0.117640     -2.151268
  C      -2.491353      0.376614     -1.488943
  C      -6.577559      1.160941      6.545349
  C      -6.842357     -0.187234      7.243663
  C      -7.996192     -0.931348      6.604327
  O      -7.533782     -1.291451      5.275884
  C      -8.388567     -1.901455      4.446858
  N      -9.627753     -2.180237      4.827595
  C     -10.418643     -2.779220      3.906241
  N     -10.110110     -3.135138      2.670119
  C      -8.825392     -2.862435      2.278123
  C      -8.384719     -3.184974      0.974217
  C      -7.081533     -2.870818      0.612842
  C      -6.241490     -2.238942      1.545144
  N      -6.614604     -1.921396      2.788024
  C      -7.891621     -2.226180      3.144537
  H      -3.198534      4.288678      2.425776
  H      -4.362819      2.962660      2.336660
  H      -4.745519      5.584261      3.905006
  H      -5.451215      5.210247      2.328959
  H      -7.074561      4.922189      4.236111
  H      -6.024019      3.652424      4.925699
  H     -10.452668      2.812078      5.664264
  H     -11.508267     -0.154880      2.240527
  H     -10.268766     -0.818433      0.140672
  H      -8.004964      0.138675     -0.283514
  H      -1.787313     -1.884033      4.515418
  H      -3.376916     -1.448124      3.879164
  H      -0.678568     -0.298256      2.947956
  H      -2.240406      0.450818      2.579534
  H      -3.002612     -1.860777      1.686252
  H      -1.273787     -2.319383      1.701179
  H      -5.683024      1.070817      0.462279
  H      -4.233749      2.183885     -3.802282
  H      -2.077306      1.710275     -5.046696
  H      -0.292615      0.391021     -3.907922
  H      -6.873573      1.065290      5.491527
  H      -7.238676      1.936769      6.983169
  H      -5.937730     -0.812355      7.166170
  H      -7.055089     -0.050355      8.315257
  H      -8.901960     -0.311387      6.511910
  H      -8.264315     -1.849041      7.147935
  H     -11.442156     -2.982120      4.235410
  H      -9.082195     -3.668016      0.288600
  H      -6.702277     -3.094121     -0.385625
  H      -5.223244     -1.957493      1.263084
  N      -5.122572      0.604571      3.398266
  H      -5.801158      1.302520      3.065705
  H      -5.675363     -0.266234      3.541293
  H      -4.543339      0.400233      2.567018
99
Coordinates from ORCA-job orca E -6478.963485136190
  N      -3.396072      3.134171      4.174132
  Mo     -3.906616      1.439770      5.077024
  N      -5.212116      1.601336      6.556406
  C      -4.699966      1.963607      7.872487
  C      -3.454956      2.825430      7.693041
  N      -2.585423      2.248853      6.629165
  C      -1.746383      3.286537      5.966312
  C      -2.582212      4.065896      4.960779
  C      -1.769650      1.107898      7.131228
  C      -1.387728      0.196889      5.971524
  N      -2.570766     -0.035532      5.149657
  H      -1.897218      4.640438      4.306681
  H      -3.205565      4.819368      5.484975
  H      -0.947319      2.754749      5.431433
  H      -1.279518      3.950683      6.716153
  H      -0.996944     -0.754509      6.381850
  H      -0.555638      0.645516      5.389260
  H      -2.400648      0.548295      7.835505
  H      -0.881531      1.477611      7.674376
  H      -5.449305      2.546615      8.443270
  H      -4.471782      1.068783      8.487738
  H      -3.759186      3.824097      7.350303
  H      -2.888175      2.939838      8.634308
  C      -3.960207      3.745219      2.976110
  C      -5.082996      4.767775      3.235975
  C      -6.289550      4.200461      3.954800
  O      -6.889005      3.207703      3.075220
  C      -8.081813      2.697262      3.417754
  N      -8.708205      3.101585      4.510602
  C      -9.905837      2.518002      4.774651
  N     -10.537537      1.597648      4.071195
  C      -9.900311      1.185311      2.928058
  C     -10.497454      0.231394      2.073935
  C      -9.826572     -0.142616      0.922522
  C      -8.558670      0.410255      0.652817
  N      -7.956919      1.305909      1.429642
  C      -8.628670      1.701213      2.542537
  C      -2.404023     -1.043447      4.111060
  C      -1.765701     -0.506249      2.815348
  C      -1.986637     -1.467574      1.658230
  O      -1.736014     -0.855833      0.367063
  C      -2.706524     -0.101159     -0.161929
  N      -3.828010      0.151802      0.501982
  C      -4.775189      0.898842     -0.129831
  N      -4.717757      1.409726     -1.344397
  C      -3.560791      1.163235     -2.038267
  C      -3.396792      1.662982     -3.350322
  C      -2.214368      1.401796     -4.018726
  C      -1.212315      0.646133     -3.375534
  N      -1.326367      0.149786     -2.146460
  C      -2.485172      0.406117     -1.488796
  C      -6.599445      1.175335      6.526735
  C      -6.873886     -0.168245      7.231333
  C      -8.026040     -0.913199      6.588787
  O      -7.557977     -1.275120      5.262945
  C      -8.400001     -1.918431      4.445975
  N      -9.629098     -2.226843      4.837825
  C     -10.409291     -2.857818      3.928300
  N     -10.099117     -3.217490      2.693473
  C      -8.824237     -2.915426      2.290714
  C      -8.382818     -3.240774      0.987613
  C      -7.089534     -2.899375      0.615621
  C      -6.259607     -2.238385      1.536842
  N      -6.633762     -1.916620      2.778420
  C      -7.901554     -2.247370      3.145429
  H      -3.158656      4.257935      2.407278
  H      -4.342969      2.949604      2.321344
  H      -4.698815      5.598495      3.849994
  H      -5.400679      5.206630      2.276568
  H      -7.036904      4.972745      4.181323
  H      -6.006901      3.700767      4.896221
  H     -10.397882      2.863709      5.689487
  H     -11.469359     -0.183921      2.341826
  H     -10.252701     -0.876405      0.238197
  H      -8.005999      0.096227     -0.237833
  H      -1.812311     -1.893341      4.503529
  H      -3.398004     -1.449749      3.862101
  H      -0.692163     -0.304379      2.948362
  H      -2.249087      0.453140      2.577791
  H      -3.018455     -1.850844      1.671135
  H      -1.291130     -2.316106      1.687823
  H      -5.686959      1.091204      0.448556
  H      -4.208651      2.239030     -3.796057
  H      -2.046631      1.769652     -5.032171
  H      -0.272087      0.435475     -3.894619
  H      -6.890831      1.075340      5.472231
  H      -7.258973      1.957178      6.956520
  H      -5.970743     -0.796708      7.163871
  H      -7.093740     -0.024463      8.300580
  H      -8.931053     -0.292905      6.490028
  H      -8.297618     -1.828857      7.134071
  H     -11.424877     -3.086068      4.266564
  H      -9.071863     -3.748012      0.311100
  H      -6.710251     -3.124220     -0.382509
  H      -5.249644     -1.935804      1.246764
  N      -5.133105      0.610231      3.383222
  H      -5.810098      1.308941      3.049749
  H      -5.685340     -0.262679      3.516183
  H      -4.548163      0.411448      2.554601
99
Coordinates from ORCA-job orca E -6478.963677002514
  N      -3.392130      3.106414      4.152245
  Mo     -3.923702      1.424295      5.065493
  N      -5.234755      1.605389      6.538804
  C      -4.725691      1.973116      7.854115
  C      -3.475179      2.826490      7.673104
  N      -2.604414      2.236429      6.618015
  C      -1.753976      3.264003      5.953822
  C      -2.578932      4.040405      4.937060
  C      -1.800482      1.092417      7.130751
  C      -1.415410      0.174664      5.977994
  N      -2.592921     -0.054103      5.146387
  H      -1.886961      4.606412      4.282892
  H      -3.202316      4.800815      5.450938
  H      -0.954467      2.723984      5.428029
  H      -1.288448      3.930570      6.702275
  H      -1.033668     -0.777129      6.395918
  H      -0.576091      0.615613      5.400139
  H      -2.440925      0.540339      7.832517
  H      -0.913523      1.457419      7.679253
  H      -5.473830      2.563994      8.418490
  H      -4.504276      1.081552      8.476707
  H      -3.773515      3.823349      7.320016
  H      -2.911500      2.946476      8.615562
  C      -3.930359      3.707306      2.936866
  C      -5.034103      4.758215      3.166646
  C      -6.256156      4.231008      3.889606
  O      -6.872654      3.233433      3.028265
  C      -8.060329      2.731609      3.399030
  N      -8.666524      3.156189      4.495446
  C      -9.856088      2.573829      4.795074
  N     -10.498434      1.637323      4.123368
  C      -9.884155      1.205224      2.975035
  C     -10.492967      0.229346      2.154210
  C      -9.843380     -0.165852      0.997876
  C      -8.582817      0.385049      0.691908
  N      -7.969875      1.300288      1.437268
  C      -8.622759      1.718034      2.553157
  C      -2.416844     -1.056526      4.104424
  C      -1.771361     -0.509394      2.817149
  C      -1.984673     -1.458434      1.648985
  O      -1.726884     -0.829412      0.367565
  C      -2.699140     -0.076681     -0.160785
  N      -3.831112      0.152664      0.494345
  C      -4.780773      0.895409     -0.138163
  N      -4.715828      1.426222     -1.343732
  C      -3.547151      1.206742     -2.027369
  C      -3.373576      1.730754     -3.328567
  C      -2.179738      1.496275     -3.986082
  C      -1.175911      0.742916     -3.342912
  N      -1.298430      0.224367     -2.123855
  C      -2.468481      0.454403     -1.476889
  C      -6.621010      1.177124      6.507927
  C      -6.897368     -0.157077      7.229898
  C      -8.047595     -0.910556      6.592388
  O      -7.576184     -1.279060      5.269096
  C      -8.408750     -1.945775      4.461293
  N      -9.630955     -2.272997      4.860080
  C     -10.404198     -2.923751      3.957992
  N     -10.093282     -3.284132      2.723501
  C      -8.825913     -2.962270      2.313123
  C      -8.384955     -3.287022      1.009394
  C      -7.099477     -2.926517      0.629856
  C      -6.275938     -2.247870      1.543790
  N      -6.649619     -1.925685      2.785589
  C      -7.909952     -2.275853      3.160883
  H      -3.112844      4.192216      2.366701
  H      -4.324020      2.908309      2.292941
  H      -4.638100      5.595902      3.763229
  H      -5.336580      5.179662      2.194482
  H      -6.989113      5.022610      4.096229
  H      -5.988614      3.745581      4.842887
  H     -10.331226      2.935830      5.712697
  H     -11.456950     -0.185021      2.451189
  H     -10.279773     -0.916035      0.338067
  H      -8.045420      0.052343     -0.201196
  H      -1.825072     -1.906906      4.495870
  H      -3.408502     -1.463669      3.847273
  H      -0.698696     -0.308258      2.958513
  H      -2.252919      0.452174      2.583920
  H      -3.015912     -1.842908      1.652279
  H      -1.288007     -2.306439      1.671776
  H      -5.701439      1.068038      0.432369
  H      -4.187243      2.303851     -3.774714
  H      -2.004133      1.883532     -4.990938
  H      -0.225995      0.554192     -3.853531
  H      -6.907741      1.062836      5.453847
  H      -7.283166      1.964956      6.922923
  H      -5.994119     -0.786582      7.173379
  H      -7.120425      0.000886      8.296335
  H      -8.954642     -0.294389      6.487258
  H      -8.316891     -1.822782      7.144391
  H     -11.413363     -3.170418      4.303020
  H      -9.068452     -3.808805      0.338387
  H      -6.721519     -3.150442     -0.369009
  H      -5.272460     -1.930362      1.247581
  N      -5.143888      0.593235      3.367731
  H      -5.815817      1.290374      3.022142
  H      -5.697039     -0.279752      3.498470
  H      -4.550240      0.387604      2.546985
99
Coordinates from ORCA-job orca E -6478.963891096015
  N      -3.392289      3.091896      4.132217
  Mo     -3.945289      1.418096      5.046777
  N      -5.265559      1.610269      6.511824
  C      -4.762033      1.980966      7.828508
  C      -3.506660      2.827939      7.652012
  N      -2.631755      2.228758      6.605836
  C      -1.769024      3.248490      5.945981
  C      -2.581274      4.025480      4.919327
  C      -1.840332      1.080417      7.127627
  C      -1.449442      0.158392      5.980501
  N      -2.619514     -0.064188      5.136278
  H      -1.881267      4.584973      4.268180
  H      -3.205264      4.791081      5.424462
  H      -0.967818      2.702686      5.428973
  H      -1.306878      3.914952      6.696484
  H      -1.078064     -0.794418      6.405475
  H      -0.601241      0.592090      5.410345
  H      -2.491896      0.533787      7.823291
  H      -0.956083      1.438758      7.685094
  H      -5.511251      2.576413      8.386607
  H      -4.547988      1.091053      8.456068
  H      -3.798947      3.824068      7.291843
  H      -2.948538      2.950459      8.597353
  C      -3.904276      3.685285      2.901872
  C      -4.985573      4.764606      3.104038
  C      -6.220133      4.278310      3.833909
  O      -6.853146      3.272151      2.995611
  C      -8.034022      2.779365      3.397904
  N      -8.620611      3.228631      4.495111
  C      -9.799844      2.647232      4.833834
  N     -10.450327      1.690753      4.198984
  C      -9.859350      1.235801      3.047262
  C     -10.478899      0.236341      2.263317
  C      -9.852204     -0.180871      1.102200
  C      -8.601792      0.369390      0.756367
  N      -7.978092      1.305099      1.467308
  C      -8.610652      1.745755      2.586041
  C      -2.437993     -1.067676      4.096309
  C      -1.786610     -0.518973      2.813294
  C      -1.990605     -1.463839      1.640097
  O      -1.727996     -0.823454      0.365072
  C      -2.699380     -0.070090     -0.163465
  N      -3.839767      0.143507      0.483106
  C      -4.786736      0.889176     -0.149723
  N      -4.711425      1.439505     -1.345722
  C      -3.533446      1.238349     -2.019357
  C      -3.347461      1.785351     -3.309225
  C      -2.144473      1.567972     -3.956313
  C      -1.144206      0.809278     -3.313899
  N      -1.277960      0.270281     -2.104929
  C      -2.456847      0.483182     -1.468399
  C      -6.648180      1.171441      6.482208
  C      -6.917338     -0.156081      7.219342
  C      -8.060297     -0.924047      6.585150
  O      -7.584418     -1.293375      5.263307
  C      -8.406347     -1.980438      4.462063
  N      -9.622367     -2.325507      4.865318
  C     -10.386150     -2.995882      3.969608
  N     -10.072166     -3.356117      2.735987
  C      -8.812217     -3.014475      2.320239
  C      -8.370549     -3.335093      1.015634
  C      -7.092531     -2.955299      0.630905
  C      -6.276766     -2.260566      1.539795
  N      -6.652126     -1.939731      2.781404
  C      -7.905035     -2.309642      3.162317
  H      -3.070630      4.140990      2.330838
  H      -4.311831      2.885772      2.267941
  H      -4.575301      5.608343      3.681822
  H      -5.274592      5.167927      2.120164
  H      -6.939490      5.087576      4.019580
  H      -5.964690      3.809821      4.798645
  H     -10.258597      3.029000      5.751832
  H     -11.432954     -0.177224      2.591932
  H     -10.297816     -0.949015      0.469633
  H      -8.081406      0.017790     -0.139425
  H      -1.846822     -1.917904      4.489405
  H      -3.428175     -1.475743      3.834911
  H      -0.715220     -0.316364      2.961906
  H      -2.267633      0.442456      2.577559
  H      -3.019768     -1.852273      1.636400
  H      -1.290333     -2.308944      1.660075
  H      -5.714005      1.050200      0.413664
  H      -4.158955      2.361865     -3.755351
  H      -1.958984      1.972636     -4.952470
  H      -0.187851      0.633922     -3.816853
  H      -6.932595      1.043826      5.429245
  H      -7.315466      1.960568      6.886101
  H      -6.009829     -0.780349      7.173621
  H      -7.145560      0.012344      8.282895
  H      -8.973089     -0.317275      6.475882
  H      -8.321186     -1.835945      7.141285
  H     -11.389413     -3.260063      4.318942
  H      -9.047718     -3.869488      0.348137
  H      -6.714995     -3.177151     -0.368470
  H      -5.278761     -1.928760      1.239896
  N      -5.161798      0.589060      3.344392
  H      -5.833086      1.283320      2.992507
  H      -5.712130     -0.285169      3.477353
  H      -4.563735      0.379378      2.527745
99
Coordinates from ORCA-job orca E -6478.964097049131
  N      -3.397723      3.070106      4.105942
  Mo     -3.975717      1.408145      5.024921
  N      -5.309409      1.615976      6.478086
  C      -4.813904      1.994454      7.795599
  C      -3.554005      2.835198      7.622689
  N      -2.671407      2.223129      6.590671
  C      -1.793840      3.232498      5.935097
  C      -2.589635      4.006035      4.893057
  C      -1.895336      1.071347      7.127164
  C      -1.492868      0.143485      5.988765
  N      -2.650671     -0.073172      5.125832
  H      -1.879790      4.555716      4.244255
  H      -3.214710      4.779467      5.384657
  H      -0.989351      2.678960      5.431801
  H      -1.337679      3.901098      6.687179
  H      -1.135000     -0.810028      6.423687
  H      -0.632479      0.568485      5.430585
  H      -2.561968      0.531260      7.813420
  H      -1.016785      1.423236      7.698011
  H      -5.565698      2.595620      8.344013
  H      -4.607626      1.108670      8.431400
  H      -3.840030      3.828422      7.249785
  H      -3.004235      2.965176      8.571772
  C      -3.874957      3.649626      2.855382
  C      -4.924707      4.765233      3.019999
  C      -6.171409      4.333575      3.762938
  O      -6.824732      3.311898      2.960441
  C      -7.997339      2.834001      3.402436
  N      -8.559110      3.315579      4.498725
  C      -9.726482      2.740266      4.884836
  N     -10.388185      1.762489      4.294850
  C      -9.826746      1.278413      3.140378
  C     -10.462169      0.255524      2.399966
  C      -9.863885     -0.189969      1.234491
  C      -8.625477      0.354962      0.840820
  N      -7.986768      1.311101      1.510865
  C      -8.592904      1.779151      2.632921
  C      -2.457258     -1.076565      4.087102
  C      -1.800106     -0.522050      2.809893
  C      -1.986837     -1.463189      1.629900
  O      -1.721578     -0.807881      0.362566
  C      -2.696174     -0.059428     -0.167066
  N      -3.847558      0.130496      0.468512
  C      -4.794195      0.876564     -0.164359
  N      -4.710027      1.448227     -1.349458
  C      -3.520850      1.272756     -2.010730
  C      -3.323646      1.845497     -3.287599
  C      -2.109299      1.652476     -3.922116
  C      -1.109588      0.892942     -3.280010
  N      -1.253265      0.331545     -2.082429
  C      -2.442945      0.520109     -1.458451
  C      -6.683779      1.152242      6.451322
  C      -6.934385     -0.166696      7.209981
  C      -8.063438     -0.961638      6.584000
  O      -7.581017     -1.338532      5.266078
  C      -8.399081     -2.028745      4.463866
  N      -9.615496     -2.375441      4.863943
  C     -10.375391     -3.049655      3.968456
  N     -10.057902     -3.409626      2.735835
  C      -8.799148     -3.063416      2.321532
  C      -8.357374     -3.375588      1.014755
  C      -7.081101     -2.989559      0.631144
  C      -6.266956     -2.295840      1.542291
  N      -6.643809     -1.979967      2.784620
  C      -7.894731     -2.356580      3.164897
  H      -3.021036      4.064275      2.282557
  H      -4.302317      2.849334      2.236222
  H      -4.493841      5.617456      3.569226
  H      -5.200106      5.141228      2.021388
  H      -6.873670      5.163943      3.919330
  H      -5.927290      3.892755      4.742999
  H     -10.163453      3.145701      5.803307
  H     -11.404826     -0.152973      2.765829
  H     -10.321592     -0.977447      0.635199
  H      -8.126710     -0.018978     -0.058062
  H      -1.863383     -1.923919      4.482553
  H      -3.443153     -1.490665      3.819110
  H      -0.731560     -0.311955      2.968102
  H      -2.285044      0.436774      2.570942
  H      -3.011511     -1.861737      1.616324
  H      -1.277977     -2.301046      1.647187
  H      -5.730512      1.019248      0.389235
  H      -4.135433      2.421610     -3.734162
  H      -1.914643      2.076767     -4.908273
  H      -0.145494      0.736623     -3.773778
  H      -6.963667      1.003269      5.399815
  H      -7.363803      1.937939      6.840192
  H      -6.017648     -0.778286      7.178332
  H      -7.169137      0.015896      8.269606
  H      -8.986195     -0.371873      6.467469
  H      -8.308171     -1.872053      7.149454
  H     -11.378728     -3.315241      4.315313
  H      -9.033642     -3.907738      0.344298
  H      -6.704501     -3.206175     -0.369652
  H      -5.269469     -1.959926      1.243764
  N      -5.183468      0.570446      3.319896
  H      -5.858115      1.254538      2.955296
  H      -5.723660     -0.308542      3.462011
  H      -4.577700      0.356298      2.509747
99
Coordinates from ORCA-job orca E -6478.964265987923
  N      -3.396102      3.058575      4.089589
  Mo     -3.997075      1.406965      5.012740
  N      -5.333829      1.627360      6.462475
  C      -4.838555      2.007548      7.779248
  C      -3.572090      2.837802      7.606190
  N      -2.690411      2.213708      6.580765
  C      -1.800742      3.213204      5.926296
  C      -2.583953      3.990255      4.877263
  C      -1.928309      1.055200      7.123718
  C      -1.529019      0.121958      5.988409
  N      -2.684067     -0.083602      5.118532
  H      -1.865564      4.530993      4.230360
  H      -3.204644      4.771138      5.362776
  H      -0.998393      2.650957      5.429308
  H      -1.342786      3.879857      6.678972
  H      -1.183018     -0.834928      6.425492
  H      -0.661207      0.538100      5.434985
  H      -2.604660      0.522906      7.806476
  H      -1.049535      1.399096      7.699051
  H      -5.587440      2.616283      8.323271
  H      -4.640123      1.122773      8.418794
  H      -3.848181      3.831338      7.226790
  H      -3.025416      2.968036      8.557074
  C      -3.852272      3.631190      2.828566
  C      -4.886438      4.763905      2.971494
  C      -6.140244      4.361540      3.718628
  O      -6.807580      3.338306      2.930008
  C      -7.975825      2.868379      3.390376
  N      -8.530200      3.372397      4.480342
  C      -9.692676      2.802537      4.889023
  N     -10.355120      1.808623      4.327348
  C      -9.801919      1.300779      3.179360
  C     -10.440044      0.259007      2.467931
  C      -9.852632     -0.208187      1.305315
  C      -8.620803      0.333116      0.887362
  N      -7.979038      1.305841      1.530718
  C      -8.575573      1.795592      2.648685
  C      -2.489690     -1.085503      4.077947
  C      -1.824097     -0.529001      2.805856
  C      -2.008322     -1.465021      1.621400
  O      -1.735747     -0.804383      0.358325
  C      -2.702981     -0.044384     -0.168215
  N      -3.857815      0.142446      0.461774
  C      -4.796075      0.902184     -0.167210
  N      -4.700827      1.489582     -1.343752
  C      -3.508474      1.315957     -1.999528
  C      -3.299444      1.905113     -3.266946
  C      -2.081984      1.713268     -3.896266
  C      -1.091317      0.938612     -3.258483
  N      -1.246120      0.361868     -2.069528
  C      -2.438728      0.549375     -1.450612
  C      -6.705353      1.155235      6.438192
  C      -6.946727     -0.162322      7.203052
  C      -8.069115     -0.970579      6.583127
  O      -7.585736     -1.349691      5.266305
  C      -8.393971     -2.061382      4.473263
  N      -9.600188     -2.432369      4.882763
  C     -10.350918     -3.127306      3.995478
  N     -10.033523     -3.486184      2.762445
  C      -8.784879     -3.114989      2.338808
  C      -8.344062     -3.425432      1.031542
  C      -7.078736     -3.014169      0.637522
  C      -6.274211     -2.297763      1.539670
  N      -6.650248     -1.983450      2.782455
  C      -7.890357     -2.385169      3.172996
  H      -2.986811      4.026430      2.258967
  H      -4.286964      2.830614      2.214814
  H      -4.444886      5.618622      3.508366
  H      -5.153897      5.128083      1.966383
  H      -6.829536      5.205102      3.861837
  H      -5.904628      3.930907      4.705474
  H     -10.124298      3.228090      5.800763
  H     -11.377987     -0.144562      2.851170
  H     -10.314172     -1.008622      0.726398
  H      -8.130483     -0.056781     -0.009282
  H      -1.900175     -1.935893      4.473365
  H      -3.475742     -1.495473      3.804755
  H      -0.755713     -0.322925      2.970281
  H      -2.304002      0.432543      2.567781
  H      -3.034451     -1.860135      1.602141
  H      -1.302357     -2.305256      1.637636
  H      -5.735149      1.042026      0.382177
  H      -4.104539      2.492746     -3.710597
  H      -1.878265      2.150114     -4.875056
  H      -0.125352      0.782819     -3.748289
  H      -6.984351      1.000128      5.387282
  H      -7.389499      1.938322      6.824585
  H      -6.025092     -0.766677      7.175616
  H      -7.184132      0.024460      8.261395
  H      -8.997367     -0.389385      6.465914
  H      -8.304727     -1.880398      7.153433
  H     -11.344650     -3.416990      4.351403
  H      -9.012744     -3.975932      0.368633
  H      -6.703613     -3.228815     -0.364293
  H      -5.286720     -1.940481      1.232639
  N      -5.204948      0.574622      3.305275
  H      -5.877384      1.257772      2.934614
  H      -5.746884     -0.303329      3.447521
  H      -4.596480      0.358307      2.497476
99
Coordinates from ORCA-job orca E -6478.964388858106
  N      -3.397550      3.053308      4.075124
  Mo     -4.022439      1.412396      5.000266
  N      -5.365396      1.645357      6.446163
  C      -4.869500      2.031731      7.761200
  C      -3.596004      2.849261      7.586576
  N      -2.713047      2.209237      6.571804
  C      -1.810302      3.197189      5.918572
  C      -2.579172      3.978611      4.862315
  C      -1.967579      1.043359      7.123740
  C      -1.568605      0.105515      5.991010
  N      -2.718195     -0.084128      5.110079
  H      -1.851373      4.508607      4.217204
  H      -3.193695      4.768234      5.342092
  H      -1.010204      2.624888      5.429604
  H      -1.350568      3.860968      6.672648
  H      -1.238467     -0.856668      6.428578
  H      -0.689922      0.511744      5.447226
  H      -2.658259      0.518899      7.797968
  H      -1.091476      1.377952      7.708309
  H      -5.615533      2.649865      8.298613
  H      -4.679691      1.149389      8.406143
  H      -3.858148      3.842156      7.196412
  H      -3.055730      2.981828      8.540964
  C      -3.831785      3.617575      2.804229
  C      -4.854931      4.761615      2.931987
  C      -6.112087      4.385928      3.688569
  O      -6.794240      3.359664      2.916107
  C      -7.960261      2.897640      3.390685
  N      -8.512380      3.421690      4.472611
  C      -9.678599      2.865048      4.890683
  N     -10.343956      1.863940      4.344253
  C      -9.791257      1.334338      3.206562
  C     -10.435832      0.286077      2.510495
  C      -9.853448     -0.199745      1.352963
  C      -8.620497      0.330137      0.924715
  N      -7.972887      1.308051      1.554571
  C      -8.564241      1.815344      2.667702
  C      -2.519385     -1.085568      4.067259
  C      -1.848416     -0.524760      2.798749
  C      -2.028080     -1.460757      1.611968
  O      -1.751457     -0.803382      0.347867
  C      -2.710941     -0.032139     -0.177677
  N      -3.869671      0.155562      0.444775
  C      -4.795680      0.934509     -0.180144
  N      -4.686244      1.534831     -1.348798
  C      -3.492290      1.354932     -1.998872
  C      -3.269847      1.955525     -3.258437
  C      -2.051158      1.756205     -3.883851
  C      -1.073083      0.963112     -3.249899
  N      -1.240348      0.376375     -2.067368
  C      -2.434239      0.571106     -1.452312
  C      -6.726029      1.139888      6.434346
  C      -6.934749     -0.179685      7.205636
  C      -8.042389     -1.016549      6.600666
  O      -7.558415     -1.411420      5.289483
  C      -8.374684     -2.111045      4.493622
  N      -9.579991     -2.480981      4.904429
  C     -10.335018     -3.169047      4.016429
  N     -10.022154     -3.524880      2.780938
  C      -8.773509     -3.153518      2.355613
  C      -8.334898     -3.461120      1.046931
  C      -7.069825     -3.048198      0.651100
  C      -6.264737     -2.332229      1.552960
  N      -6.638646     -2.022326      2.797057
  C      -7.876626     -2.426639      3.189410
  H      -2.955867      3.999824      2.241193
  H      -4.269280      2.817006      2.191919
  H      -4.401043      5.617346      3.457520
  H      -5.120539      5.117605      1.923608
  H      -6.787677      5.242721      3.818067
  H      -5.881667      3.967351      4.681860
  H     -10.109024      3.307428      5.794586
  H     -11.377110     -0.105336      2.898077
  H     -10.322341     -1.001571      0.782401
  H      -8.134625     -0.070839      0.030556
  H      -1.929843     -1.935714      4.463070
  H      -3.503170     -1.496869      3.788806
  H      -0.780911     -0.317859      2.967262
  H      -2.327200      0.437393      2.562062
  H      -3.054542     -1.854994      1.587662
  H      -1.323433     -2.301510      1.631932
  H      -5.737760      1.076136      0.363510
  H      -4.065482      2.557648     -3.699316
  H      -1.837260      2.201541     -4.856626
  H      -0.107000      0.800473     -3.736843
  H      -7.007629      0.975287      5.385060
  H      -7.423063      1.907908      6.826761
  H      -5.999616     -0.762771      7.178248
  H      -7.173381      0.008884      8.263565
  H      -8.979728     -0.450333      6.480505
  H      -8.260853     -1.922379      7.184614
  H     -11.327932     -3.458804      4.374167
  H      -9.004874     -4.010346      0.384149
  H      -6.696114     -3.260491     -0.351827
  H      -5.279850     -1.969509      1.243215
  N      -5.221579      0.572565      3.293301
  H      -5.904010      1.240298      2.911741
  H      -5.750870     -0.311474      3.443985
  H      -4.608089      0.361725      2.487280
99
Coordinates from ORCA-job orca E -6478.964545173856
  N      -3.391871      3.033365      4.050547
  Mo     -4.045727      1.407748      4.982671
  N      -5.397219      1.659820      6.419265
  C      -4.906403      2.052283      7.734174
  C      -3.624041      2.856170      7.561821
  N      -2.740099      2.199504      6.559237
  C      -1.820897      3.173286      5.907536
  C      -2.572308      3.955834      4.839463
  C      -2.012332      1.028318      7.123025
  C      -1.612401      0.082860      5.997229
  N      -2.755629     -0.098020      5.104910
  H      -1.833100      4.474788      4.198374
  H      -3.184154      4.754036      5.308149
  H      -1.022808      2.589343      5.429174
  H      -1.360612      3.836752      6.661515
  H      -1.296644     -0.881285      6.440845
  H      -0.724146      0.478361      5.460996
  H      -2.715388      0.513890      7.792275
  H      -1.138607      1.355531      7.715139
  H      -5.649883      2.681584      8.262409
  H      -4.728649      1.173224      8.387241
  H      -3.874555      3.847802      7.160916
  H      -3.089693      2.992589      8.519173
  C      -3.802946      3.586453      2.767165
  C      -4.805729      4.752086      2.866964
  C      -6.071537      4.417315      3.628051
  O      -6.773961      3.391030      2.874528
  C      -7.924603      2.928491      3.383532
  N      -8.452997      3.463843      4.471849
  C      -9.601035      2.901712      4.929946
  N     -10.267952      1.881996      4.420582
  C      -9.740456      1.339340      3.277211
  C     -10.385996      0.264457      2.623472
  C      -9.830526     -0.235448      1.458859
  C      -8.619881      0.305327      0.983515
  N      -7.969904      1.306463      1.574490
  C      -8.537061      1.828180      2.693814
  C      -2.549574     -1.096445      4.060410
  C      -1.870320     -0.527739      2.800347
  C      -2.042042     -1.452617      1.604434
  O      -1.757503     -0.782622      0.348838
  C      -2.713541     -0.006417     -0.175029
  N      -3.878661      0.169120      0.438645
  C      -4.802172      0.951317     -0.185756
  N      -4.683162      1.567959     -1.344936
  C      -3.481883      1.401938     -1.985348
  C      -3.249659      2.020376     -3.234604
  C      -2.024319      1.835379     -3.850181
  C      -1.048893      1.038424     -3.216834
  N      -1.225207      0.434695     -2.044181
  C      -2.426159      0.615336     -1.438707
  C      -6.756409      1.149738      6.405540
  C      -6.964436     -0.162536      7.188959
  C      -8.067074     -1.008236      6.586702
  O      -7.577885     -1.407241      5.278710
  C      -8.381869     -2.133105      4.494013
  N      -9.577335     -2.524950      4.914715
  C     -10.322330     -3.236758      4.036314
  N     -10.009484     -3.595794      2.801582
  C      -8.770441     -3.203027      2.366730
  C      -8.332759     -3.513763      1.058412
  C      -7.078944     -3.078612      0.651389
  C      -6.284101     -2.337805      1.542355
  N      -6.657280     -2.025420      2.786184
  C      -7.883779     -2.451849      3.190065
  H      -2.915051      3.945140      2.208041
  H      -4.248018      2.784482      2.162275
  H      -4.337429      5.610070      3.376259
  H      -5.061014      5.092243      1.850686
  H      -6.729636      5.290306      3.739640
  H      -5.851087      4.013211      4.629592
  H     -10.013242      3.356724      5.836157
  H     -11.307662     -0.135530      3.047669
  H     -10.302284     -1.057168      0.919806
  H      -8.152696     -0.108241      0.085030
  H      -1.962875     -1.948473      4.455940
  H      -3.532035     -1.505447      3.773106
  H      -0.803999     -0.322541      2.978013
  H      -2.346967      0.436588      2.568583
  H      -3.068145     -1.848190      1.569806
  H      -1.336164     -2.292390      1.620966
  H      -5.748974      1.083960      0.351725
  H      -4.043605      2.624309     -3.675545
  H      -1.802796      2.295147     -4.814599
  H      -0.076338      0.887208     -3.695790
  H      -7.032465      0.974067      5.356806
  H      -7.458034      1.918981      6.787740
  H      -6.027101     -0.742539      7.171891
  H      -7.208550      0.035031      8.244103
  H      -9.006560     -0.447016      6.459440
  H      -8.283024     -1.910777      7.176862
  H     -11.308782     -3.541274      4.400839
  H      -8.994472     -4.083789      0.404683
  H      -6.706373     -3.292285     -0.351596
  H      -5.309685     -1.956185      1.223581
  N      -5.232864      0.562542      3.271846
  H      -5.916860      1.221361      2.878185
  H      -5.757272     -0.324011      3.424011
  H      -4.612101      0.349251      2.472110
99
Coordinates from ORCA-job orca E -6478.964659723952
  N      -3.394013      3.024675      4.026519
  Mo     -4.069000      1.407742      4.959955
  N      -5.428454      1.670142      6.389274
  C      -4.942935      2.073107      7.703102
  C      -3.655583      2.868384      7.532155
  N      -2.768984      2.197493      6.542012
  C      -1.835387      3.159069      5.892698
  C      -2.572125      3.943615      4.816142
  C      -2.056835      1.022721      7.117114
  C      -1.652945      0.070193      5.998716
  N      -2.787735     -0.103011      5.093710
  H      -1.824099      4.453250      4.177714
  H      -3.180567      4.748995      5.276837
  H      -1.039354      2.565585      5.422887
  H      -1.374391      3.821739      6.647058
  H      -1.351180     -0.895226      6.449108
  H      -0.755008      0.455610      5.471194
  H      -2.771627      0.516439      7.780351
  H      -1.186855      1.344589      7.717743
  H      -5.686519      2.710172      8.222058
  H      -4.772477      1.199060      8.364950
  H      -3.897649      3.857387      7.119701
  H      -3.127620      3.011048      8.492200
  C      -3.789473      3.572208      2.735615
  C      -4.773989      4.755317      2.816138
  C      -6.039808      4.451977      3.588924
  O      -6.755031      3.418897      2.858051
  C      -7.899568      2.964190      3.385174
  N      -8.418537      3.513891      4.470695
  C      -9.559214      2.954084      4.949164
  N     -10.227903      1.924127      4.462333
  C      -9.710898      1.366660      3.321361
  C     -10.358763      0.278971      2.690303
  C      -9.813146     -0.235786      1.527405
  C      -8.608916      0.301756      1.032349
  N      -7.957588      1.315022      1.601455
  C      -8.516080      1.851899      2.717964
  C      -2.579094     -1.106009      4.054225
  C      -1.892772     -0.540866      2.796874
  C      -2.067529     -1.459597      1.597263
  O      -1.773046     -0.784794      0.346502
  C      -2.719502      0.004612     -0.174459
  N      -3.888413      0.179800      0.432201
  C      -4.801275      0.976638     -0.189191
  N      -4.667944      1.609760     -1.337893
  C      -3.462070      1.445404     -1.970440
  C      -3.213767      2.082671     -3.207267
  C      -1.984499      1.897915     -3.814925
  C      -1.021010      1.082965     -3.185940
  N      -1.212151      0.462217     -2.024678
  C      -2.417052      0.642270     -1.426959
  C      -6.777601      1.134066      6.385360
  C      -6.957422     -0.173754      7.183400
  C      -8.049123     -1.043578      6.595812
  O      -7.561644     -1.444106      5.287715
  C      -8.367068     -2.174125      4.508881
  N      -9.556200     -2.574213      4.940036
  C     -10.305635     -3.288762      4.067300
  N     -10.001284     -3.645093      2.829754
  C      -8.768842     -3.244224      2.383946
  C      -8.341099     -3.553171      1.071970
  C      -7.094803     -3.109522      0.652845
  C      -6.297295     -2.361556      1.535606
  N      -6.660734     -2.051413      2.782941
  C      -7.879379     -2.487660      3.199417
  H      -2.893117      3.911075      2.177839
  H      -4.243958      2.771347      2.136649
  H      -4.291472      5.616333      3.306836
  H      -5.028668      5.079680      1.794386
  H      -6.687211      5.334870      3.685821
  H      -5.819495      4.065157      4.596773
  H      -9.963881      3.421583      5.852458
  H     -11.273810     -0.118970      3.130642
  H     -10.287294     -1.067004      1.004937
  H      -8.148901     -0.123691      0.135755
  H      -1.996679     -1.958408      4.454761
  H      -3.561452     -1.513019      3.763447
  H      -0.825556     -0.343429      2.978433
  H      -2.361706      0.427581      2.566355
  H      -3.096356     -1.847768      1.557440
  H      -1.367257     -2.304317      1.612192
  H      -5.752851      1.105841      0.340740
  H      -3.998813      2.700553     -3.645284
  H      -1.750860      2.371434     -4.769759
  H      -0.045601      0.931637     -3.658709
  H      -7.054288      0.942735      5.339543
  H      -7.491891      1.893851      6.763246
  H      -6.009858     -0.737125      7.166531
  H      -7.198882      0.029335      8.238140
  H      -8.998650     -0.499510      6.469618
  H      -8.245196     -1.944458      7.195291
  H     -11.284961     -3.604352      4.442044
  H      -9.003981     -4.129852      0.425551
  H      -6.729590     -3.323006     -0.352790
  H      -5.328682     -1.973080      1.207339
  N      -5.247719      0.553906      3.247284
  H      -5.940872      1.199266      2.846964
  H      -5.761130     -0.337775      3.406074
  H      -4.623985      0.340854      2.449721
99
Coordinates from ORCA-job orca E -6478.964738284008
  N      -3.400668      3.033654      4.002308
  Mo     -4.090315      1.417312      4.928547
  N      -5.461489      1.677381      6.349095
  C      -4.986987      2.095615      7.662731
  C      -3.696957      2.886748      7.497257
  N      -2.803228      2.205477      6.521924
  C      -1.855839      3.157499      5.878625
  C      -2.577637      3.946745      4.795980
  C      -2.104881      1.028829      7.108264
  C      -1.692334      0.070729      5.997856
  N      -2.816077     -0.097184      5.078255
  H      -1.820993      4.449739      4.162385
  H      -3.183512      4.757278      5.250926
  H      -1.061373      2.556739      5.415885
  H      -1.394837      3.817940      6.635159
  H      -1.403603     -0.895129      6.455559
  H      -0.784635      0.447972      5.481294
  H      -2.830389      0.527447      7.763776
  H      -1.241119      1.347573      7.719531
  H      -5.734628      2.738206      8.168972
  H      -4.823679      1.228132      8.334945
  H      -3.932770      3.872382      7.073150
  H      -3.178731      3.037579      8.461333
  C      -3.790129      3.586282      2.711522
  C      -4.759177      4.782934      2.790442
  C      -6.019375      4.500982      3.579313
  O      -6.746265      3.462254      2.869913
  C      -7.881234      3.010783      3.416589
  N      -8.391506      3.571508      4.500702
  C      -9.525631      3.013838      4.995949
  N     -10.196656      1.976387      4.528355
  C      -9.689259      1.407137      3.388889
  C     -10.339794      0.309674      2.776648
  C      -9.803354     -0.216484      1.614552
  C      -8.606075      0.319596      1.101278
  N      -7.953449      1.342614      1.651683
  C      -8.502697      1.890230      2.767577
  C      -2.605512     -1.113198      4.051679
  C      -1.908440     -0.564144      2.792852
  C      -2.089548     -1.482862      1.594647
  O      -1.783946     -0.812522      0.343946
  C      -2.714905     -0.002608     -0.172263
  N      -3.881718      0.187721      0.434018
  C      -4.779501      1.004693     -0.182216
  N      -4.633375      1.645981     -1.324590
  C      -3.429395      1.466534     -1.957042
  C      -3.167600      2.111548     -3.187077
  C      -1.940860      1.910356     -3.794754
  C      -0.993534      1.071482     -3.172426
  N      -1.197540      0.443317     -2.017529
  C      -2.399605      0.639648     -1.419638
  C      -6.796175      1.104740      6.355854
  C      -6.938722     -0.200907      7.165059
  C      -8.016956     -1.097881      6.591874
  O      -7.533071     -1.497804      5.281858
  C      -8.341953     -2.227655      4.506635
  N      -9.523158     -2.639150      4.948834
  C     -10.278166     -3.352560      4.079617
  N      -9.986305     -3.698007      2.836076
  C      -8.761855     -3.286205      2.378897
  C      -8.347320     -3.584791      1.060279
  C      -7.110400     -3.128629      0.628580
  C      -6.309033     -2.377568      1.505558
  N      -6.660213     -2.076969      2.758805
  C      -7.868503     -2.527816      3.188521
  H      -2.889644      3.915211      2.154094
  H      -4.253117      2.790773      2.112691
  H      -4.261081      5.642645      3.267863
  H      -5.020649      5.100335      1.768219
  H      -6.660366      5.389507      3.669310
  H      -5.791026      4.126430      4.589170
  H      -9.922950      3.491406      5.897319
  H     -11.248358     -0.086759      3.231644
  H     -10.280025     -1.054998      1.105978
  H      -8.153847     -0.115418      0.205445
  H      -2.030234     -1.963849      4.465108
  H      -3.587934     -1.518923      3.759151
  H      -0.839535     -0.378961      2.977968
  H      -2.364834      0.409151      2.558112
  H      -3.121800     -1.861291      1.551939
  H      -1.397156     -2.334259      1.612772
  H      -5.729771      1.143916      0.347805
  H      -3.940339      2.748361     -3.620212
  H      -1.697331      2.388830     -4.744551
  H      -0.020753      0.906622     -3.645329
  H      -7.072804      0.897006      5.313046
  H      -7.528040      1.848342      6.731794
  H      -5.978416     -0.742282      7.143448
  H      -7.175400      0.002925      8.220575
  H      -8.978325     -0.574594      6.469574
  H      -8.188967     -1.997641      7.200049
  H     -11.250840     -3.676446      4.463334
  H      -9.012446     -4.164549      0.419256
  H      -6.755038     -3.335622     -0.381964
  H      -5.348104     -1.978337      1.167270
  N      -5.257695      0.548063      3.216009
  H      -5.959872      1.176621      2.802440
  H      -5.764373     -0.343280      3.392161
  H      -4.633462      0.323063      2.421978
99
Coordinates from ORCA-job orca E -6478.964783759937
  N      -3.403262      3.028376      3.990388
  Mo     -4.095052      1.416572      4.926103
  N      -5.456394      1.680741      6.354648
  C      -4.975734      2.106572      7.663272
  C      -3.685062      2.894157      7.486579
  N      -2.798449      2.205581      6.510300
  C      -1.849917      3.151613      5.859329
  C      -2.573280      3.940715      4.777624
  C      -2.102577      1.028091      7.097680
  C      -1.700563      0.063306      5.989425
  N      -2.828900     -0.103793      5.074456
  H      -1.816986      4.438316      4.139153
  H      -3.173742      4.755687      5.232144
  H      -1.060805      2.545450      5.394301
  H      -1.381578      3.811971      6.611335
  H      -1.414565     -0.902231      6.449546
  H      -0.793700      0.434146      5.466739
  H      -2.825912      0.532633      7.760161
  H      -1.233824      1.346073      7.702384
  H      -5.719622      2.753897      8.168783
  H      -4.810707      1.243266      8.340322
  H      -3.921072      3.877877      7.058063
  H      -3.161536      3.049374      8.447095
  C      -3.796776      3.579778      2.700535
  C      -4.761784      4.779660      2.781837
  C      -6.022402      4.499814      3.571838
  O      -6.753776      3.468397      2.857119
  C      -7.891140      3.018534      3.399024
  N      -8.408869      3.581728      4.478633
  C      -9.549687      3.028576      4.963347
  N     -10.220749      1.993343      4.491393
  C      -9.704255      1.419766      3.358091
  C     -10.348490      0.319264      2.744577
  C      -9.798318     -0.214679      1.592189
  C      -8.595521      0.318088      1.089156
  N      -7.949466      1.344684      1.640410
  C      -8.510364      1.898390      2.747070
  C      -2.621788     -1.122551      4.049643
  C      -1.924780     -0.578690      2.788429
  C      -2.127956     -1.489685      1.588160
  O      -1.810877     -0.822137      0.338765
  C      -2.725895      0.008448     -0.173794
  N      -3.891232      0.214368      0.430303
  C      -4.771486      1.054687     -0.179745
  N      -4.608126      1.707831     -1.312963
  C      -3.404443      1.514234     -1.942067
  C      -3.123488      2.172281     -3.160994
  C      -1.898443      1.954797     -3.766585
  C      -0.971535      1.087245     -3.152975
  N      -1.193177      0.447270     -2.007908
  C      -2.393537      0.659459     -1.412044
  C      -6.788233      1.101673      6.371347
  C      -6.917269     -0.209693      7.174492
  C      -7.997649     -1.108682      6.607912
  O      -7.524856     -1.503374      5.291723
  C      -8.337988     -2.238594      4.525552
  N      -9.514807     -2.650596      4.978560
  C     -10.274992     -3.370975      4.119311
  N      -9.991939     -3.723687      2.876023
  C      -8.770780     -3.312547      2.407947
  C      -8.362693     -3.622626      1.090012
  C      -7.128132     -3.170068      0.648212
  C      -6.322533     -2.410716      1.514199
  N      -6.667107     -2.099004      2.766295
  C      -7.872935     -2.547211      3.206427
  H      -2.897201      3.905923      2.139651
  H      -4.263675      2.784305      2.104583
  H      -4.259717      5.637651      3.257925
  H      -5.025468      5.097589      1.760402
  H      -6.659463      5.390527      3.667676
  H      -5.793932      4.119784      4.580004
  H      -9.952326      3.507644      5.861799
  H     -11.261941     -0.074816      3.191992
  H     -10.269273     -1.056618      1.083929
  H      -8.132811     -0.122893      0.201669
  H      -2.048385     -1.973062      4.465921
  H      -3.605586     -1.526530      3.759560
  H      -0.852002     -0.409850      2.966491
  H      -2.368807      0.402360      2.561797
  H      -3.167845     -1.846610      1.547430
  H      -1.453200     -2.355279      1.602170
  H      -5.721930      1.203071      0.347665
  H      -3.880405      2.831967     -3.587747
  H      -1.640960      2.442177     -4.708170
  H       0.000163      0.909212     -3.623969
  H      -7.074148      0.898234      5.330146
  H      -7.519879      1.839577      6.758383
  H      -5.955246     -0.747345      7.139019
  H      -7.142960     -0.012242      8.233543
  H      -8.962193     -0.588953      6.496594
  H      -8.160649     -2.011162      7.214491
  H     -11.244128     -3.693821      4.512631
  H      -9.030854     -4.208819      0.457723
  H      -6.776638     -3.387416     -0.361465
  H      -5.363111     -2.015253      1.167412
  N      -5.270698      0.544982      3.219880
  H      -5.987728      1.164344      2.816796
  H      -5.763183     -0.353641      3.395188
  H      -4.653439      0.332911      2.416288
99
Coordinates from ORCA-job orca E -6478.964812740270
  N      -3.405881      3.030630      3.986734
  Mo     -4.107709      1.421497      4.919926
  N      -5.470951      1.687775      6.346483
  C      -4.992719      2.113731      7.655957
  C      -3.698993      2.897183      7.481904
  N      -2.812253      2.204026      6.508641
  C      -1.857346      3.145137      5.860812
  C      -2.573357      3.938095      4.776843
  C      -2.123627      1.022899      7.098065
  C      -1.722928      0.056490      5.990400
  N      -2.849678     -0.105208      5.071940
  H      -1.812724      4.431806      4.140710
  H      -3.170819      4.756184      5.229656
  H      -1.069535      2.535306      5.398357
  H      -1.388464      3.802916      6.614592
  H      -1.442565     -0.910640      6.450826
  H      -0.812953      0.423157      5.470376
  H      -2.850981      0.530651      7.758293
  H      -1.254921      1.335953      7.705413
  H      -5.736272      2.763584      8.158780
  H      -4.832304      1.250701      8.334479
  H      -3.930234      3.881087      7.051419
  H      -3.177735      3.052147      8.443769
  C      -3.791517      3.585367      2.696432
  C      -4.747605      4.791907      2.777533
  C      -6.013170      4.522498      3.564145
  O      -6.751450      3.496197      2.849526
  C      -7.878756      3.038861      3.406482
  N      -8.385486      3.598847      4.493412
  C      -9.516977      3.039469      4.992965
  N     -10.187367      1.999580      4.530127
  C      -9.680595      1.427105      3.392045
  C     -10.323642      0.319934      2.789915
  C      -9.784317     -0.212503      1.631575
  C      -8.592737      0.328135      1.111513
  N      -7.947059      1.361001      1.652334
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  C      -2.642224     -1.124735      4.047653
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  C      -3.108678      2.172142     -3.172446
  C      -1.882327      1.947637     -3.773084
  C      -0.961288      1.077949     -3.153874
  N      -1.190107      0.442035     -2.007795
  C      -2.391833      0.661244     -1.416827
  C      -6.800892      1.104550      6.360976
  C      -6.925254     -0.208140      7.162992
  C      -8.003260     -1.110299      6.597901
  O      -7.528874     -1.505447      5.282642
  C      -8.332695     -2.256136      4.521960
  N      -9.501313     -2.685909      4.979849
  C     -10.251903     -3.421647      4.125430
  N      -9.967706     -3.771279      2.881475
  C      -8.755400     -3.340736      2.408155
  C      -8.347936     -3.644652      1.088591
  C      -7.121594     -3.174045      0.642292
  C      -6.323415     -2.404131      1.505937
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  C      -7.866664     -2.560858      3.202521
  H      -2.887809      3.906028      2.138896
  H      -4.262357      2.793649      2.098424
  H      -4.239632      5.645217      3.255554
  H      -5.005687      5.112029      1.755530
  H      -6.643636      5.418160      3.657385
  H      -5.790373      4.141669      4.573672
  H      -9.911979      3.517564      5.895170
  H     -11.228821     -0.079100      3.249219
  H     -10.255923     -1.058373      1.130824
  H      -8.138820     -0.111669      0.218780
  H      -2.071451     -1.976803      4.465035
  H      -3.625975     -1.526576      3.754449
  H      -0.866753     -0.418584      2.968478
  H      -2.378875      0.403333      2.564823
  H      -3.189139     -1.837081      1.542880
  H      -1.479243     -2.358541      1.600090
  H      -5.725647      1.222078      0.326638
  H      -3.861443      2.833162     -3.604160
  H      -1.619403      2.431063     -4.715231
  H       0.010884      0.893725     -3.621452
  H      -7.084835      0.901376      5.319217
  H      -7.535318      1.839460      6.748392
  H      -5.961796     -0.743083      7.125769
  H      -7.150392     -0.012194      8.222472
  H      -8.969096     -0.592845      6.486238
  H      -8.165033     -2.012107      7.205918
  H     -11.214391     -3.759957      4.523024
  H      -9.009878     -4.240338      0.458679
  H      -6.770922     -3.385824     -0.368852
  H      -5.370686     -1.995675      1.155974
  N      -5.279192      0.553833      3.210594
  H      -5.994430      1.172253      2.802378
  H      -5.773953     -0.345103      3.381116
  H      -4.658176      0.343321      2.409213
99
Coordinates from ORCA-job orca E -6478.964823072307
  N      -3.404586      3.025857      3.971417
  Mo     -4.104236      1.417837      4.908989
  N      -5.465954      1.690377      6.333670
  C      -4.989897      2.123586      7.641772
  C      -3.695179      2.905016      7.464795
  N      -2.809002      2.206421      6.494797
  C      -1.852248      3.142454      5.842868
  C      -2.566865      3.933302      4.756376
  C      -2.122033      1.027317      7.090436
  C      -1.722731      0.054328      5.987869
  N      -2.850004     -0.110848      5.070900
  H      -1.805550      4.421114      4.116502
  H      -3.159936      4.756073      5.206338
  H      -1.066804      2.528521      5.381849
  H      -1.380617      3.801642      6.593736
  H      -1.443713     -0.910665      6.453632
  H      -0.812390      0.416689      5.465496
  H      -2.849047      0.539284      7.754087
  H      -1.252547      1.342553      7.695521
  H      -5.733822      2.777295      8.138908
  H      -4.832064      1.264523      8.325947
  H      -3.925454      3.887239      7.029941
  H      -3.173866      3.063981      8.425957
  C      -3.799904      3.581614      2.684403
  C      -4.752911      4.789764      2.774457
  C      -6.014219      4.517788      3.567526
  O      -6.752977      3.488708      2.857688
  C      -7.879796      3.033164      3.417448
  N      -8.387386      3.598305      4.501463
  C      -9.521464      3.043521      5.000294
  N     -10.194704      2.005106      4.538192
  C      -9.685165      1.425525      3.404998
  C     -10.328955      0.317944      2.804940
  C      -9.784266     -0.223242      1.653240
  C      -8.588266      0.310349      1.136334
  N      -7.942840      1.344792      1.674535
  C      -8.498949      1.905018      2.780567
  C      -2.646769     -1.133696      4.049081
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  C      -2.154011     -1.498133      1.585630
  O      -1.825624     -0.828505      0.339977
  C      -2.730802      0.013211     -0.172392
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  C      -4.767541      1.077998     -0.180608
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  C      -3.387029      1.539898     -1.931158
  C      -3.093820      2.205100     -3.143061
  C      -1.868008      1.980430     -3.745046
  C      -0.952510      1.098753     -3.134874
  N      -1.185776      0.451794     -1.995887
  C      -2.386786      0.671072     -1.403525
  C      -6.798527      1.113095      6.347012
  C      -6.927710     -0.197845      7.150499
  C      -8.008269     -1.097872      6.586805
  O      -7.534854     -1.498779      5.272643
  C      -8.339461     -2.251466      4.514494
  N      -9.508992     -2.676777      4.973580
  C     -10.258650     -3.418532      4.123660
  N      -9.971883     -3.779827      2.883701
  C      -8.759602     -3.351785      2.408022
  C      -8.350658     -3.665417      1.091035
  C      -7.125120     -3.195350      0.642052
  C      -6.329322     -2.415966      1.499620
  N      -6.675274     -2.098742      2.749738
  C      -7.872878     -2.563346      3.196682
  H      -2.900510      3.899981      2.118658
  H      -4.278109      2.790818      2.090996
  H      -4.241531      5.641628      3.250961
  H      -5.016646      5.111630      1.754285
  H      -6.646597      5.411687      3.664021
  H      -5.785281      4.136978      4.575714
  H      -9.918036      3.526338      5.899319
  H     -11.237789     -0.075653      3.261732
  H     -10.254732     -1.071864      1.156540
  H      -8.130314     -0.136427      0.249159
  H      -2.080682     -1.987465      4.469248
  H      -3.631966     -1.531612      3.755404
  H      -0.866383     -0.439466      2.969267
  H      -2.373757      0.392772      2.567693
  H      -3.198667     -1.840315      1.540960
  H      -1.491975     -2.373215      1.596587
  H      -5.718670      1.230672      0.344332
  H      -3.842085      2.875517     -3.568275
  H      -1.601466      2.472876     -4.681472
  H       0.018680      0.913903     -3.604004
  H      -7.081389      0.909027      5.305158
  H      -7.530627      1.851887      6.731389
  H      -5.966211     -0.736137      7.111165
  H      -7.150445     -0.000328      8.210120
  H      -8.972672     -0.578102      6.472769
  H      -8.173116     -1.997780      7.196809
  H     -11.222274     -3.751998      4.521964
  H      -9.011175     -4.267097      0.464729
  H      -6.773480     -3.414785     -0.367087
  H      -5.376617     -2.009586      1.146790
  N      -5.276054      0.538897      3.205118
  H      -5.991039      1.155878      2.793671
  H      -5.772497     -0.357353      3.384102
  H      -4.657235      0.321363      2.403819
99
Coordinates from ORCA-job orca E -6478.964839077119
  N      -3.407684      3.034109      3.981912
  Mo     -4.103266      1.421626      4.915308
  N      -5.465172      1.686475      6.341313
  C      -4.990641      2.116746      7.650579
  C      -3.698851      2.903487      7.475601
  N      -2.810878      2.210383      6.503454
  C      -1.856611      3.151081      5.854559
  C      -2.572927      3.942214      4.769466
  C      -2.120176      1.031957      7.095855
  C      -1.718220      0.062696      5.991143
  N      -2.845447     -0.104783      5.074475
  H      -1.812907      4.433705      4.130928
  H      -3.168500      4.762192      5.221040
  H      -1.068487      2.541143      5.392862
  H      -1.388040      3.810246      6.607409
  H      -1.435589     -0.902139      6.455018
  H      -0.809642      0.428988      5.468540
  H      -2.845314      0.540350      7.758911
  H      -1.251139      1.348284      7.701014
  H      -5.736851      2.766078      8.150180
  H      -4.829197      1.256119      8.332086
  H      -3.932763      3.885819      7.042971
  H      -3.177503      3.061933      8.436822
  C      -3.802611      3.591061      2.694843
  C      -4.756886      4.798269      2.782673
  C      -6.019983      4.525728      3.572086
  O      -6.757569      3.497513      2.859900
  C      -7.885055      3.042044      3.418712
  N      -8.390044      3.604657      4.505175
  C      -9.523584      3.049648      5.004634
  N     -10.198232      2.012348      4.541757
  C      -9.691567      1.435130      3.406188
  C     -10.336406      0.328044      2.805926
  C      -9.794083     -0.210978      1.651973
  C      -8.599344      0.323647      1.133340
  N      -7.952450      1.357433      1.671902
  C      -8.506225      1.915690      2.780317
  C      -2.639862     -1.129124      4.054854
  C      -1.935740     -0.591964      2.794180
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  O      -1.822880     -0.831973      0.344179
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  C      -4.767039      1.068315     -0.185695
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  C      -7.998319     -1.111454      6.582505
  O      -7.526679     -1.503602      5.265377
  C      -8.331134     -2.254725      4.505565
  N      -9.499480     -2.683597      4.964431
  C     -10.249857     -3.422260      4.112344
  N      -9.964884     -3.775815      2.869598
  C      -8.754469     -3.343643      2.393855
  C      -8.348680     -3.648527      1.073697
  C      -7.123783     -3.176393      0.625444
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  N      -6.668485     -2.095449      2.740342
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  H      -2.902781      3.910034      2.130306
  H      -4.279521      2.799993      2.100832
  H      -4.247821      5.650613      3.260729
  H      -5.018024      5.119758      1.761601
  H      -6.652495      5.419622      3.667826
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  H      -9.917291      3.529711      5.906259
  H     -11.243848     -0.066759      3.264289
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  H      -8.143433     -0.122226      0.244679
  H      -2.071407     -1.980114      4.477331
  H      -3.624121     -1.530657      3.762974
  H      -0.860579     -0.437602      2.970527
  H      -2.368514      0.395061      2.570383
  H      -3.196524     -1.837300      1.549563
  H      -1.491236     -2.374358      1.604517
  H      -5.717109      1.225003      0.339571
  H      -3.852426      2.834241     -3.592296
  H      -1.613391      2.425652     -4.706187
  H       0.012461      0.880846     -3.616900
  H      -7.079069      0.904454      5.310306
  H      -7.529812      1.836884      6.742802
  H      -5.955004     -0.748052      7.103119
  H      -7.138002     -0.023051      8.210310
  H      -8.963958     -0.593137      6.473107
  H      -8.160305     -2.014829      7.188180
  H     -11.211438     -3.761048      4.511386
  H      -9.010437     -4.245645      0.445065
  H      -6.774609     -3.388301     -0.386243
  H      -5.372372     -1.997630      1.135839
  N      -5.272794      0.546817      3.208617
  H      -5.990512      1.162338      2.799235
  H      -5.766084     -0.352771      3.380567
  H      -4.652172      0.336595      2.406974
99
Coordinates from ORCA-job orca E -6478.964843107986
  N      -3.410787      3.028782      3.976453
  Mo     -4.112361      1.420423      4.912367
  N      -5.474449      1.689256      6.337800
  C      -4.999690      2.122020      7.645965
  C      -3.706918      2.906423      7.469221
  N      -2.819267      2.209311      6.499915
  C      -1.862347      3.146953      5.850532
  C      -2.575274      3.937186      4.762526
  C      -2.132378      1.030010      7.095121
  C      -1.730957      0.058467      5.992264
  N      -2.856980     -0.107426      5.073527
  H      -1.812976      4.424904      4.123742
  H      -3.169674      4.759881      5.210851
  H      -1.074620      2.534553      5.391376
  H      -1.393717      3.806409      6.603051
  H      -1.451548     -0.906456      6.457861
  H      -0.820466      0.421761      5.470887
  H      -2.860283      0.541152      7.757154
  H      -1.263676      1.344617      7.701670
  H      -5.745461      2.773268      8.143641
  H      -4.839255      1.262829      8.329420
  H      -3.939073      3.887736      7.033335
  H      -3.186048      3.066922      8.430340
  C      -3.798554      3.579378      2.684691
  C      -4.745217      4.793159      2.762413
  C      -6.009110      4.534175      3.554985
  O      -6.752425      3.504922      2.850335
  C      -7.878261      3.053226      3.415519
  N      -8.381051      3.623603      4.498966
  C      -9.514105      3.072667      5.004018
  N     -10.189967      2.032473      4.549032
  C      -9.685769      1.447568      3.416400
  C     -10.332154      0.336631      2.824529
  C      -9.792016     -0.210184      1.673221
  C      -8.597851      0.320200      1.149198
  N      -7.949549      1.357325      1.679893
  C      -8.501288      1.923166      2.785555
  C      -2.648629     -1.131467      4.053626
  C      -1.944483     -0.592513      2.793597
  C      -2.160071     -1.496117      1.589656
  O      -1.828540     -0.828349      0.343806
  C      -2.732125      0.012902     -0.172389
  N      -3.900017      0.226855      0.423636
  C      -4.767960      1.078828     -0.188132
  N      -4.591099      1.734631     -1.317648
  C      -3.385734      1.530365     -1.939882
  C      -3.091674      2.188166     -3.155479
  C      -1.865536      1.960118     -3.754992
  C      -0.950365      1.082291     -3.138676
  N      -1.184712      0.441747     -1.996282
  C      -2.386345      0.664343     -1.406369
  C      -6.800706      1.097117      6.353296
  C      -6.912989     -0.220115      7.148723
  C      -7.989916     -1.124930      6.586444
  O      -7.520109     -1.515988      5.268287
  C      -8.324957     -2.268131      4.509886
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  C     -10.243500     -3.436612      4.119142
  N      -9.960518     -3.788961      2.875565
  C      -8.751150     -3.355599      2.398159
  C      -8.347979     -3.657935      1.076570
  C      -7.124461     -3.183933      0.626342
  C      -6.324527     -2.413232      1.487804
  N      -6.665551     -2.106347      2.741880
  C      -7.861522     -2.573526      3.189457
  H      -2.895277      3.888261      2.119864
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  H      -9.905623      3.558111      5.903744
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  H      -8.143493     -0.131581      0.262849
  H      -2.078498     -1.981185      4.476232
  H      -3.631773     -1.535130      3.761171
  H      -0.869280     -0.438535      2.969848
  H      -2.377060      0.394892      2.571313
  H      -3.205976     -1.833534      1.545410
  H      -1.501730     -2.374062      1.601392
  H      -5.719334      1.235499      0.334772
  H      -3.839751      2.855680     -3.585387
  H      -1.598079      2.447184     -4.693966
  H       0.021703      0.895504     -3.605396
  H      -7.086613      0.897062      5.311350
  H      -7.538204      1.825910      6.746094
  H      -5.946904     -0.749381      7.099581
  H      -7.130412     -0.031964      8.211198
  H      -8.958521     -0.611559      6.479661
  H      -8.145281     -2.028988      7.192896
  H     -11.204740     -3.775141      4.519077
  H      -9.010992     -4.254029      0.448194
  H      -6.777637     -3.393426     -0.386642
  H      -5.373490     -2.003723      1.134193
  N      -5.281522      0.543841      3.206710
  H      -6.003765      1.153895      2.796837
  H      -5.768206     -0.358761      3.380029
  H      -4.660322      0.337076      2.404440
99
Coordinates from ORCA-job orca E -6478.964846649172
  N      -3.412250      3.032422      3.977661
  Mo     -4.110708      1.421813      4.911985
  N      -5.471381      1.689247      6.338123
  C      -4.996807      2.121515      7.646629
  C      -3.704297      2.906439      7.470098
  N      -2.817039      2.210442      6.499420
  C      -1.861172      3.148830      5.849789
  C      -2.575497      3.939936      4.763339
  C      -2.128861      1.031450      7.093706
  C      -1.728533      0.059875      5.990490
  N      -2.855897     -0.106930      5.073792
  H      -1.813923      4.427849      4.123815
  H      -3.169044      4.762518      5.213014
  H      -1.073796      2.537012      5.389183
  H      -1.391847      3.807819      6.602309
  H      -1.447883     -0.904726      6.456052
  H      -0.819012      0.423524      5.467680
  H      -2.855452      0.542238      7.756935
  H      -1.259445      1.346589      7.698930
  H      -5.742847      2.772231      8.144572
  H      -4.836176      1.261992      8.329642
  H      -3.937039      3.888260      7.035590
  H      -3.182742      3.066008      8.431002
  C      -3.804235      3.586114      2.688461
  C      -4.751577      4.798986      2.772186
  C      -6.013723      4.536137      3.566287
  O      -6.756013      3.506821      2.860581
  C      -7.881772      3.052801      3.424196
  N      -8.385861      3.619973      4.508695
  C      -9.519174      3.067061      5.010995
  N     -10.194469      2.028223      4.552118
  C      -9.688526      1.446353      3.418699
  C     -10.333988      0.337117      2.822747
  C      -9.792072     -0.206355      1.670725
  C      -8.596986      0.325390      1.150114
  N      -7.949604      1.361082      1.684519
  C      -8.503222      1.923930      2.790798
  C      -2.649609     -1.131496      4.054133
  C      -1.945703     -0.593783      2.793499
  C      -2.162168     -1.498102      1.590221
  O      -1.829037     -0.831672      0.344079
  C      -2.731947      0.008691     -0.174622
  N      -3.900641      0.223672      0.419515
  C      -4.767568      1.074961     -0.194624
  N      -4.588984      1.729293     -1.324761
  C      -3.382807      1.523814     -1.945213
  C      -3.086834      2.179919     -3.161345
  C      -1.859938      1.950593     -3.758921
  C      -0.945957      1.073235     -3.140201
  N      -1.182083      0.434331     -1.997245
  C      -2.384432      0.658148     -1.409212
  C      -6.798875      1.099652      6.352459
  C      -6.912481     -0.218840      7.145415
  C      -7.990827     -1.121570      6.582508
  O      -7.521831     -1.511612      5.263777
  C      -8.325412     -2.266096      4.506504
  N      -9.492126     -2.696878      4.967364
  C     -10.242052     -3.437843      4.117039
  N      -9.958393     -3.791138      2.873894
  C      -8.749670     -3.356635      2.396066
  C      -8.345780     -3.660151      1.074970
  C      -7.123199     -3.184362      0.624231
  C      -6.324612     -2.411220      1.484785
  N      -6.665982     -2.103921      2.738658
  C      -7.861270     -2.572435      3.186531
  H      -2.902867      3.896851      2.121646
  H      -4.287010      2.795675      2.098536
  H      -4.237223      5.651252      3.244899
  H      -5.012914      5.116824      1.750105
  H      -6.642237      5.433281      3.658608
  H      -5.786692      4.159815      4.576372
  H      -9.912249      3.550230      5.911290
  H     -11.241632     -0.055551      3.282676
  H     -10.263949     -1.056111      1.176653
  H      -8.141440     -0.123781      0.263028
  H      -2.080355     -1.981908      4.476572
  H      -3.633473     -1.533909      3.762289
  H      -0.870308     -0.440425      2.969100
  H      -2.378022      0.393571      2.570720
  H      -3.208477     -1.834253      1.545729
  H      -1.504970     -2.376871      1.602930
  H      -5.719750      1.232346      0.326652
  H      -3.834032      2.847195     -3.593182
  H      -1.591001      2.436262     -4.698211
  H       0.026674      0.885458     -3.605378
  H      -7.085086      0.902114      5.310188
  H      -7.535316      1.828840      6.746609
  H      -5.947134     -0.749250      7.093787
  H      -7.128250     -0.032538      8.208554
  H      -8.958890     -0.606914      6.476555
  H      -8.147247     -2.026113      7.187933
  H     -11.202655     -3.777868      4.517333
  H      -9.007582     -4.258397      0.447281
  H      -6.776032     -3.394456     -0.388458
  H      -5.374330     -2.000502      1.130672
  N      -5.281410      0.545357      3.207186
  H      -6.003086      1.156964      2.798439
  H      -5.769815     -0.356261      3.380772
  H      -4.661283      0.337672      2.404423
99
Coordinates from ORCA-job orca E -6478.964848883152
  N      -3.412849      3.033015      3.976878
  Mo     -4.110307      1.422298      4.911694
  N      -5.471161      1.690439      6.337119
  C      -4.997479      2.123499      7.645679
  C      -3.705403      2.909089      7.469100
  N      -2.817508      2.212791      6.499072
  C      -1.861975      3.151361      5.849094
  C      -2.576430      3.941343      4.761910
  C      -2.128697      1.034763      7.094591
  C      -1.727872      0.062372      5.992307
  N      -2.855315     -0.106183      5.076080
  H      -1.814971      4.428938      4.122030
  H      -3.170205      4.764129      5.210893
  H      -1.073970      2.539780      5.389284
  H      -1.393400      3.811200      6.601362
  H      -1.446253     -0.901596      6.458612
  H      -0.818820      0.426328      5.468897
  H      -2.855024      0.545860      7.758332
  H      -1.259425      1.351128      7.699366
  H      -5.744181      2.773931      8.142980
  H      -4.836408      1.264387      8.329128
  H      -3.938421      3.890479      7.033799
  H      -3.184161      3.069532      8.430033
  C      -3.805053      3.585761      2.687233
  C      -4.752735      4.798479      2.770684
  C      -6.014889      4.535508      3.564811
  O      -6.757577      3.505881      2.860176
  C      -7.882443      3.052394      3.426007
  N      -8.382916      3.619342      4.512298
  C      -9.515452      3.067436      5.017343
  N     -10.193326      2.029890      4.559541
  C      -9.690759      1.447651      3.424869
  C     -10.338633      0.338857      2.830751
  C      -9.799551     -0.205748      1.678015
  C      -8.605269      0.324850      1.154337
  N      -7.955758      1.360289      1.686767
  C      -8.506428      1.924074      2.794061
  C      -2.648716     -1.131736      4.057500
  C      -1.944368     -0.595336      2.796547
  C      -2.162215     -1.499843      1.593715
  O      -1.828118     -0.834318      0.347421
  C      -2.730459      0.006719     -0.171161
  N      -3.897907      0.224053      0.424491
  C      -4.764287      1.076179     -0.189026
  N      -4.586255      1.729410     -1.319915
  C      -3.381132      1.521874     -1.941714
  C      -3.085704      2.176940     -3.158518
  C      -1.859873      1.945559     -3.757419
  C      -0.946314      1.067356     -3.139233
  N      -1.181983      0.429275     -1.995738
  C      -2.383366      0.655012     -1.406471
  C      -6.798041      1.099211      6.350734
  C      -6.909261     -0.221230      7.140724
  C      -7.987737     -1.123860      6.577731
  O      -7.520331     -1.511827      5.257771
  C      -8.324072     -2.266376      4.500524
  N      -9.489940     -2.698684      4.961967
  C     -10.240027     -3.439578      4.111636
  N      -9.957086     -3.791552      2.867912
  C      -8.749315     -3.355355      2.389309
  C      -8.346347     -3.657273      1.067474
  C      -7.124642     -3.179816      0.616127
  C      -6.325918     -2.406812      1.476732
  N      -6.666283     -2.101205      2.731313
  C      -7.860928     -2.570967      3.179717
  H      -2.903919      3.896249      2.119951
  H      -4.287942      2.794848      2.098047
  H      -4.238661      5.650832      3.243569
  H      -5.014118      5.116306      1.748616
  H      -6.643460      5.432667      3.656833
  H      -5.787554      4.159780      4.575018
  H      -9.905797      3.550714      5.918758
  H     -11.245449     -0.053043      3.292923
  H     -10.273104     -1.055493      1.185597
  H      -8.151886     -0.125394      0.266693
  H      -2.079600     -1.981690      4.481041
  H      -3.632548     -1.534372      3.765827
  H      -0.868743     -0.442965      2.971647
  H      -2.375750      0.392342      2.573290
  H      -3.209212     -1.833918      1.549452
  H      -1.506737     -2.379921      1.606753
  H      -5.715859      1.234796      0.332962
  H      -3.832463      2.845077     -3.589810
  H      -1.591410      2.430248     -4.697332
  H       0.025474      0.877942     -3.605458
  H      -7.084408      0.903710      5.308156
  H      -7.535205      1.826632      6.746839
  H      -5.943402     -0.750439      7.085764
  H      -7.123172     -0.037714      8.204706
  H      -8.956252     -0.609670      6.473741
  H      -8.142924     -2.029332      7.182062
  H     -11.199716     -3.781318      4.512550
  H      -9.007955     -4.255826      0.439877
  H      -6.778039     -3.388709     -0.397020
  H      -5.376176     -1.995146      1.122130
  N      -5.279275      0.543893      3.206829
  H      -6.001720      1.154184      2.797177
  H      -5.766570     -0.358561      3.379490
  H      -4.657927      0.337068      2.404725
99
Coordinates from ORCA-job orca E -6478.964850451574
  N      -3.414440      3.034750      3.977333
  Mo     -4.112181      1.423579      4.911104
  N      -5.473174      1.691025      6.336510
  C      -4.999640      2.123622      7.645300
  C      -3.707678      2.909382      7.469187
  N      -2.819538      2.213300      6.499185
  C      -1.863895      3.152186      5.849819
  C      -2.578158      3.942664      4.762859
  C      -2.130840      1.035134      7.094572
  C      -1.730102      0.062972      5.992051
  N      -2.857635     -0.105417      5.075911
  H      -1.816507      4.430459      4.123355
  H      -3.171993      4.765271      5.212102
  H      -1.075666      2.540878      5.390019
  H      -1.395614      3.811744      6.602526
  H      -1.448283     -0.901103      6.458014
  H      -0.821120      0.427232      5.468697
  H      -2.857367      0.546190      7.758079
  H      -1.261635      1.351411      7.699482
  H      -5.746546      2.773600      8.142866
  H      -4.838336      1.264166      8.328267
  H      -3.940516      3.890892      7.034081
  H      -3.186673      3.069516      8.430303
  C      -3.805424      3.587641      2.687389
  C      -4.752201      4.801144      2.770262
  C      -6.014121      4.539609      3.565174
  O      -6.757246      3.509397      2.862023
  C      -7.882303      3.057122      3.428181
  N      -8.383598      3.626366      4.512880
  C      -9.516357      3.075351      5.018390
  N     -10.193372      2.036252      4.562819
  C      -9.689952      1.451639      3.429763
  C     -10.336776      0.340854      2.838146
  C      -9.796923     -0.206095      1.686896
  C      -8.602994      0.324339      1.162181
  N      -7.954369      1.361425      1.692402
  C      -8.505695      1.927338      2.798254
  C      -2.651375     -1.131578      4.057836
  C      -1.946682     -0.595921      2.796777
  C      -2.164847     -1.500673      1.594178
  O      -1.829612     -0.836006      0.347722
  C      -2.730912      0.005717     -0.171614
  N      -3.898518      0.224368      0.423324
  C      -4.763907      1.076707     -0.191230
  N      -4.584715      1.729231     -1.322340
  C      -3.379532      1.520173     -1.943527
  C      -3.083090      2.174071     -3.160716
  C      -1.857358      1.940902     -3.759141
  C      -0.944910      1.062163     -3.140071
  N      -1.181512      0.425193     -1.996147
  C      -2.382801      0.652695     -1.407331
  C      -6.798875      1.097049      6.350710
  C      -6.906292     -0.224997      7.138552
  C      -7.984218     -1.128534      6.576058
  O      -7.518286     -1.514011      5.254901
  C      -8.322004     -2.268810      4.497932
  N      -9.486963     -2.702782      4.960131
  C     -10.236939     -3.443935      4.109889
  N      -9.954684     -3.794568      2.865632
  C      -8.747769     -3.356864      2.386350
  C      -8.345517     -3.657481      1.063993
  C      -7.124549     -3.178675      0.612116
  C      -6.325775     -2.405734      1.472778
  N      -6.665610     -2.101339      2.727790
  C      -7.859536     -2.572232      3.176622
  H      -2.903737      3.897338      2.120574
  H      -4.288713      2.797081      2.098056
  H      -4.237352      5.653367      3.242592
  H      -5.013708      5.118766      1.748168
  H      -6.642269      5.437160      3.656277
  H      -5.786596      4.164968      4.575735
  H      -9.907320      3.560442      5.918570
  H     -11.243328     -0.050799      3.301046
  H     -10.269463     -1.057595      1.196536
  H      -8.148990     -0.127666      0.275755
  H      -2.082658     -1.981645      4.481712
  H      -3.635367     -1.533857      3.766200
  H      -0.870988     -0.443990      2.971895
  H      -2.377604      0.391866      2.573150
  H      -3.212076     -1.833837      1.549564
  H      -1.510179     -2.381347      1.607942
  H      -5.715473      1.236757      0.330314
  H      -3.829037      2.842655     -3.592714
  H      -1.588151      2.424521     -4.699392
  H       0.026805      0.871329     -3.605905
  H      -7.086200      0.902913      5.308118
  H      -7.536904      1.822242      6.749225
  H      -5.939505     -0.752247      7.080820
  H      -7.118566     -0.043798      8.203264
  H      -8.953632     -0.615586      6.474330
  H      -8.137143     -2.035034      7.179420
  H     -11.195894     -3.787219      4.511323
  H      -9.007103     -4.256111      0.436446
  H      -6.778458     -3.386532     -0.401433
  H      -5.376641     -1.992967      1.117841
  N      -5.280860      0.545429      3.205798
  H      -6.004193      1.154778      2.796299
  H      -5.767048     -0.357776      3.377845
  H      -4.659120      0.339577      2.403764
99
Coordinates from ORCA-job orca E -6478.964851570701
  N      -3.415734      3.033692      3.975941
  Mo     -4.113908      1.423476      4.910649
  N      -5.474896      1.692340      6.335747
  C      -5.001108      2.125572      7.644254
  C      -3.708998      2.910916      7.467597
  N      -2.820939      2.213912      6.498199
  C      -1.865168      3.152244      5.848144
  C      -2.579378      3.942134      4.760687
  C      -2.132601      1.035988      7.094440
  C      -1.732194      0.062910      5.992641
  N      -2.859770     -0.105909      5.076592
  H      -1.817560      4.429279      4.120871
  H      -3.173145      4.765138      5.209295
  H      -1.077109      2.540463      5.388664
  H      -1.396682      3.812127      6.600432
  H      -1.450566     -0.900852      6.459366
  H      -0.823088      0.426606      5.469086
  H      -2.859419      0.547769      7.758176
  H      -1.263413      1.352447      7.699265
  H      -5.747919      2.775779      8.141596
  H      -4.839693      1.266371      8.327509
  H      -3.941592      3.892199      7.031856
  H      -3.188004      3.071528      8.428628
  C      -3.805661      3.584566      2.684837
  C      -4.751401      4.799105      2.765298
  C      -6.012982      4.540462      3.561738
  O      -6.757427      3.509348      2.861294
  C      -7.881706      3.057733      3.429323
  N      -8.381443      3.627602      4.514417
  C      -9.513780      3.077155      5.021516
  N     -10.191901      2.038295      4.567035
  C      -9.690381      1.453400      3.433247
  C     -10.339038      0.343343      2.842119
  C      -9.801288     -0.203714      1.689959
  C      -8.607388      0.325635      1.164018
  N      -7.957159      1.361960      1.693648
  C      -8.506550      1.928180      2.800282
  C      -2.652982     -1.132066      4.058559
  C      -1.948594     -0.596097      2.797534
  C      -2.166425     -1.500679      1.594793
  O      -1.829881     -0.835880      0.348771
  C      -2.730463      0.006156     -0.171320
  N      -3.898822      0.224632      0.422298
  C      -4.763360      1.077181     -0.193056
  N      -4.582592      1.730432     -1.323505
  C      -3.376577      1.521708     -1.943218
  C      -3.078293      2.176636     -3.159440
  C      -1.851730      1.943805     -3.756301
  C      -0.940387      1.064337     -3.136692
  N      -1.178652      0.426452     -1.993616
  C      -2.380715      0.653671     -1.406297
  C      -6.799305      1.095391      6.351309
  C      -6.902588     -0.227702      7.137924
  C      -7.980124     -1.132451      6.576740
  O      -7.515868     -1.515975      5.254406
  C      -8.319865     -2.271209      4.498252
  N      -9.484275     -2.705529      4.961417
  C     -10.235182     -3.446013      4.111398
  N      -9.954433     -3.795525      2.866513
  C      -8.747776     -3.357850      2.386416
  C      -8.346847     -3.657499      1.063468
  C      -7.126306     -3.178476      0.610688
  C      -6.326474     -2.406383      1.471074
  N      -6.665081     -2.103020      2.726680
  C      -7.858575     -2.574038      3.176341
  H      -2.903496      3.892490      2.117803
  H      -4.289481      2.793469      2.096662
  H      -4.235556      5.651935      3.235448
  H      -5.013195      5.114816      1.742698
  H      -6.640295      5.438777      3.651179
  H      -5.785049      4.167959      4.572985
  H      -9.903211      3.562424      5.922287
  H     -11.245348     -0.047613      3.306084
  H     -10.275420     -1.054426      1.199708
  H      -8.154989     -0.126425      0.276803
  H      -2.083790     -1.981918      4.482213
  H      -3.636847     -1.534681      3.766990
  H      -0.872976     -0.443706      2.972715
  H      -2.379826      0.391543      2.573872
  H      -3.213813     -1.833332      1.549438
  H      -1.512154     -2.381653      1.608941
  H      -5.715588      1.237132      0.327256
  H      -3.823464      2.845800     -3.591823
  H      -1.581046      2.428231     -4.695718
  H       0.032074      0.873841     -3.601210
  H      -7.087879      0.901910      5.308929
  H      -7.538209      1.818545      6.751808
  H      -5.934965     -0.753131      7.077475
  H      -7.112811     -0.048006      8.203290
  H      -8.950506     -0.620892      6.477305
  H      -8.130518     -2.039776      7.179514
  H     -11.193968     -3.789108      4.513389
  H      -9.009149     -4.255602      0.436178
  H      -6.781200     -3.385654     -0.403326
  H      -5.377721     -1.993369      1.115473
  N      -5.283053      0.545190      3.205484
  H      -6.007073      1.153896      2.796336
  H      -5.768209     -0.358477      3.377603
  H      -4.661232      0.339744      2.403398
99
Coordinates from ORCA-job orca E -6478.964851297475
  N      -3.416049      3.034116      3.976284
  Mo     -4.113542      1.423754      4.911124
  N      -5.474522      1.692740      6.336184
  C      -5.000546      2.125537      7.644779
  C      -3.708546      2.911102      7.468137
  N      -2.820471      2.214424      6.498476
  C      -1.865132      3.153096      5.848244
  C      -2.579872      3.942808      4.761010
  C      -2.131608      1.036706      7.094546
  C      -1.731276      0.063706      5.992639
  N      -2.859147     -0.105539      5.077063
  H      -1.818382      4.430388      4.121147
  H      -3.173903      4.765481      5.209872
  H      -1.077048      2.541539      5.388506
  H      -1.396626      3.813073      6.600433
  H      -1.449119     -0.899952      6.459260
  H      -0.822504      0.427743      5.468743
  H      -2.858061      0.548299      7.758541
  H      -1.262350      1.353497      7.699092
  H      -5.747312      2.775471      8.142537
  H      -4.838851      1.266086      8.327653
  H      -3.941333      3.892454      7.032664
  H      -3.187468      3.071568      8.429144
  C      -3.806158      3.585078      2.685276
  C      -4.752473      4.799141      2.766093
  C      -6.013905      4.539891      3.562626
  O      -6.758143      3.508518      2.862300
  C      -7.882564      3.057121      3.430130
  N      -8.382145      3.626784      4.515405
  C      -9.514382      3.076235      5.022647
  N     -10.192615      2.037484      4.568136
  C      -9.691338      1.452874      3.434081
  C     -10.340110      0.342927      2.842909
  C      -9.802773     -0.203818      1.690432
  C      -8.609149      0.325847      1.164118
  N      -7.958790      1.362001      1.693840
  C      -8.507701      1.927798      2.800879
  C      -2.652665     -1.131754      4.059029
  C      -1.948255     -0.596111      2.797871
  C      -2.166052     -1.501098      1.595415
  O      -1.829466     -0.836844      0.349118
  C      -2.729939      0.005170     -0.171247
  N      -3.898165      0.224212      0.422462
  C      -4.762427      1.076966     -0.192969
  N      -4.581669      1.729718     -1.323708
  C      -3.375808      1.520404     -1.943502
  C      -3.077509      2.174798     -3.159996
  C      -1.851094      1.941402     -3.756951
  C      -0.939941      1.061862     -3.137188
  N      -1.178231      0.424430     -1.993852
  C      -2.380130      0.652240     -1.406424
  C      -6.798880      1.095674      6.351522
  C      -6.901912     -0.228032      7.137132
  C      -7.979739     -1.132381      6.575823
  O      -7.516108     -1.515113      5.253021
  C      -8.320004     -2.270588      4.496980
  N      -9.484137     -2.705444      4.960346
  C     -10.235028     -3.445881      4.110258
  N      -9.954542     -3.794960      2.865199
  C      -8.748034     -3.356908      2.384972
  C      -8.347273     -3.656097      1.061882
  C      -7.126834     -3.176819      0.609055
  C      -6.326912     -2.404943      1.469554
  N      -6.665423     -2.101925      2.725281
  C      -7.858832     -2.573151      3.174970
  H      -2.904110      3.893710      2.118440
  H      -4.289434      2.793893      2.096781
  H      -4.236888      5.652036      3.236403
  H      -5.014598      5.115011      1.743626
  H      -6.641612      5.437912      3.652152
  H      -5.785676      4.167411      4.573814
  H      -9.903758      3.561551      5.923415
  H     -11.246238     -0.048197      3.307091
  H     -10.276964     -1.054501      1.200214
  H      -8.157149     -0.125872      0.276522
  H      -2.083667     -1.981752      4.482668
  H      -3.636670     -1.534100      3.767569
  H      -0.872658     -0.443598      2.973070
  H      -2.379491      0.391469      2.573907
  H      -3.213433     -1.833776      1.550102
  H      -1.511784     -2.382067      1.609987
  H      -5.714646      1.237193      0.327261
  H      -3.822556      2.844019     -3.592488
  H      -1.580389      2.425443     -4.696561
  H       0.032380      0.870861     -3.601795
  H      -7.087612      0.903021      5.309034
  H      -7.537847      1.818385      6.752713
  H      -5.934367     -0.753515      7.075872
  H      -7.111619     -0.049064      8.202724
  H      -8.950211     -0.620825      6.477236
  H      -8.129776     -2.040112      7.178071
  H     -11.193492     -3.789563      4.512497
  H      -9.009657     -4.254024      0.434499
  H      -6.781827     -3.383622     -0.405075
  H      -5.378159     -1.991840      1.114043
  N      -5.282778      0.545678      3.205778
  H      -6.006371      1.154874      2.796668
  H      -5.768375     -0.357814      3.377563
  H      -4.660778      0.340110      2.403882
