98
Coordinates from ORCA-job orca E -6532.137844202945
  N      -4.638728      3.599312      5.119316
  Mo     -3.956368      1.810935      4.680588
  N      -4.489662      0.931504      6.344889
  C      -3.605303      1.069143      7.487190
  C      -3.012992      2.484055      7.483944
  N      -2.475424      2.797070      6.148700
  C      -2.473082      4.246038      5.908935
  C      -3.915206      4.721017      5.657494
  C      -1.126465      2.236958      5.969538
  C      -1.085589      1.587778      4.573774
  N      -2.290432      0.795913      4.463017
  H      -3.910940      5.563334      4.947102
  H      -4.379133      5.081912      6.588582
  H      -1.879690      4.434100      5.009715
  H      -2.021671      4.783462      6.752270
  H      -0.174969      0.992414      4.457307
  H      -1.089594      2.368849      3.803603
  H      -0.955953      1.457155      6.715819
  H      -0.353354      3.002401      6.080389
  H      -4.142281      0.916261      8.431608
  H      -2.802646      0.317944      7.437638
  H      -3.823786      3.183326      7.700849
  H      -2.238340      2.589825      8.251754
  C      -5.729830      3.856586      4.244856
  C      -7.032482      4.272914      4.950313
  C      -7.604621      3.062088      5.692735
  O      -7.660695      1.955017      4.790409
  C      -8.730322      1.957469      3.944903
  N      -9.907345      2.273386      4.471678
  C     -10.944164      2.331325      3.652544
  N     -10.934481      2.168540      2.359383
  C      -9.740129      1.901460      1.787959
  C      -9.652144      1.807458      0.395308
  C      -8.403827      1.575502     -0.158853
  C      -7.299918      1.484801      0.672966
  N      -7.335207      1.592579      2.002165
  C      -8.558233      1.772770      2.559407
  C      -2.054322     -0.615237      4.663857
  C      -1.470180     -1.294011      3.394395
  C      -2.454967     -2.229664      2.677048
  O      -2.350508     -2.159232      1.252208
  C      -2.882678     -1.109158      0.648884
  N      -3.378880     -0.112517      1.346043
  C      -4.002499      0.872026      0.683960
  N      -4.163505      0.975400     -0.598441
  C      -3.610572     -0.003662     -1.367068
  C      -3.706351      0.031648     -2.772205
  C      -3.133450     -0.986335     -3.491225
  C      -2.477445     -2.023321     -2.804456
  N      -2.376001     -2.083149     -1.500971
  C      -2.926368     -1.095194     -0.783660
  C      -5.731400      0.276412      6.655216
  C      -5.664114     -1.270275      6.755426
  C      -6.832241     -1.916173      6.010252
  O      -6.609857     -1.787843      4.598719
  C      -7.569685     -1.270128      3.791615
  N      -8.710683     -0.843874      4.292466
  C      -9.667242     -0.547039      3.421556
  N      -9.671345     -0.769739      2.136726
  C      -8.486779     -1.136563      1.593890
  C      -8.374867     -1.373168      0.216522
  C      -7.155974     -1.821508     -0.273745
  C      -6.091165     -1.958127      0.598738
  N      -6.147529     -1.703858      1.904399
  C      -7.342187     -1.330689      2.393817
  H      -5.470165      4.621167      3.479906
  H      -5.904782      2.887218      3.748612
  H      -6.859558      5.088178      5.653289
  H      -7.754289      4.608279      4.199511
  H      -8.600308      3.263796      6.095829
  H      -6.926721      2.755329      6.492614
  H     -11.895600      2.568424      4.111638
  H     -10.542501      1.899169     -0.204987
  H      -8.270753      1.484256     -1.225362
  H      -6.319711      1.319980      0.252976
  H      -1.351068     -0.774876      5.494274
  H      -3.006427     -1.092097      4.923871
  H      -0.570143     -1.853502      3.643809
  H      -1.189837     -0.503215      2.695072
  H      -3.492417     -2.001647      2.953227
  H      -2.243621     -3.276845      2.900795
  H      -4.407299      1.656272      1.295793
  H      -4.218377      0.858976     -3.239208
  H      -3.176732     -0.998046     -4.568419
  H      -2.013666     -2.838443     -3.342159
  H      -6.440189      0.520001      5.861403
  H      -6.145452      0.660837      7.601218
  H      -4.734900     -1.625813      6.303016
  H      -5.688461     -1.601436      7.792073
  H      -7.785740     -1.448350      6.267561
  H      -6.883364     -2.989426      6.222958
  H     -10.592875     -0.198171      3.851901
  H      -9.235963     -1.246297     -0.420243
  H      -7.031491     -2.054486     -1.319444
  H      -5.129173     -2.306833      0.242688
  N      -5.288559      1.059993      3.197937
  N      -6.071613      0.618595      2.326445
  H      -5.589519      0.455812      1.435511
98
Coordinates from ORCA-job orca E -6532.191775432189
  N      -4.608541      3.668909      5.220707
  Mo     -3.915692      1.891498      4.749794
  N      -4.479088      0.966821      6.369033
  C      -3.611186      1.074361      7.533780
  C      -3.023422      2.491784      7.583125
  N      -2.461016      2.846817      6.261921
  C      -2.458770      4.305938      6.058735
  C      -3.896060      4.780894      5.797683
  C      -1.101844      2.298693      6.086102
  C      -1.036682      1.693693      4.673782
  N      -2.236817      0.893313      4.526245
  H      -3.885220      5.641477      5.108644
  H      -4.375622      5.117126      6.732110
  H      -1.850336      4.517673      5.172706
  H      -2.020265      4.823491      6.923418
  H      -0.118727      1.106894      4.551622
  H      -1.034139      2.498158      3.925224
  H      -0.936392      1.498262      6.814114
  H      -0.335169      3.068026      6.231490
  H      -4.165582      0.892581      8.464452
  H      -2.803975      0.325668      7.477793
  H      -3.841802      3.183057      7.805484
  H      -2.261447      2.579594      8.368726
  C      -5.698568      3.944961      4.334207
  C      -7.012493      4.323491      5.044810
  C      -7.562992      3.074384      5.747245
  O      -7.596511      1.983380      4.810873
  C      -8.670183      1.945454      3.971549
  N      -9.864586      2.160614      4.507231
  C     -10.909636      2.157383      3.683327
  N     -10.891741      2.039697      2.376795
  C      -9.679894      1.873947      1.797247
  C      -9.582324      1.825936      0.394168
  C      -8.319569      1.684108     -0.166069
  C      -7.215670      1.624392      0.664150
  N      -7.256192      1.694212      2.012895
  C      -8.491215      1.799950      2.578859
  C      -1.985951     -0.525587      4.694624
  C      -1.367043     -1.201811      3.431073
  C      -2.331180     -2.153309      2.701625
  O      -2.231765     -2.143534      1.263007
  C      -2.764669     -1.130599      0.594949
  N      -3.234792     -0.084193      1.233038
  C      -3.871339      0.857138      0.514446
  N      -4.080694      0.871003     -0.771645
  C      -3.557651     -0.167611     -1.478770
  C      -3.717646     -0.231371     -2.876025
  C      -3.176761     -1.302131     -3.547704
  C      -2.489598     -2.294153     -2.816415
  N      -2.331930     -2.264905     -1.508807
  C      -2.851583     -1.220328     -0.839818
  C      -5.737524      0.301307      6.613527
  C      -5.658250     -1.245894      6.636550
  C      -6.801019     -1.904207      5.852161
  O      -6.630640     -1.752716      4.424984
  C      -7.668144     -1.295973      3.676064
  N      -8.809109     -0.958162      4.253097
  C      -9.858520     -0.731046      3.449749
  N      -9.931828     -0.959595      2.162124
  C      -8.755667     -1.232385      1.536002
  C      -8.727707     -1.458683      0.147238
  C      -7.519270     -1.794356     -0.442493
  C      -6.372448     -1.832150      0.344663
  N      -6.346940     -1.585816      1.653210
  C      -7.533037     -1.328436      2.250274
  H      -5.435732      4.728861      3.592407
  H      -5.869096      2.991949      3.809192
  H      -6.854886      5.120439      5.776912
  H      -7.737446      4.674506      4.301069
  H      -8.562638      3.235836      6.161908
  H      -6.872601      2.760673      6.535720
  H     -11.879328      2.312408      4.149737
  H     -10.479925      1.880438     -0.206686
  H      -8.168119      1.629111     -1.239985
  H      -6.230282      1.518847      0.230345
  H      -1.293687     -0.685127      5.536146
  H      -2.937685     -1.016525      4.933946
  H      -0.466327     -1.754604      3.706056
  H      -1.074158     -0.412751      2.732491
  H      -3.373411     -1.925883      2.964120
  H      -2.112725     -3.195068      2.950291
  H      -4.258013      1.686113      1.085471
  H      -4.257943      0.568752     -3.372006
  H      -3.269027     -1.390744     -4.622651
  H      -2.050634     -3.149719     -3.320619
  H      -6.430276      0.575989      5.813887
  H      -6.174836      0.649099      7.564657
  H      -4.710646     -1.558555      6.184884
  H      -5.695959     -1.627755      7.659087
  H      -7.774929     -1.484497      6.123454
  H      -6.801193     -2.984397      6.042428
  H     -10.779440     -0.415128      3.941671
  H      -9.647478     -1.405635     -0.420771
  H      -7.458755     -2.013337     -1.501119
  H      -5.412225     -2.089643     -0.093759
  N      -5.202187      1.166738      3.273789
  N      -5.959014      0.734045      2.399075
  H      -5.466397      0.562849      1.512011
98
Coordinates from ORCA-job orca E -6532.224165823265
  N      -4.572092      3.699166      5.213358
  Mo     -3.940087      1.891800      4.758922
  N      -4.511311      0.988475      6.382155
  C      -3.625659      1.091477      7.540729
  C      -3.005341      2.492019      7.579806
  N      -2.440942      2.823677      6.245472
  C      -2.397685      4.285640      6.025348
  C      -3.818673      4.796873      5.772331
  C      -1.092056      2.239730      6.057851
  C      -1.059310      1.635340      4.649138
  N      -2.282235      0.855873      4.518020
  H      -3.790090      5.650193      5.073654
  H      -4.280033      5.157983      6.709382
  H      -1.789063      4.467950      5.130039
  H      -1.932500      4.799122      6.881474
  H      -0.155067      1.025448      4.513600
  H      -1.044735      2.441170      3.898561
  H      -0.937185      1.438698      6.791092
  H      -0.305462      2.994828      6.193586
  H      -4.178485      0.925201      8.477392
  H      -2.831940      0.325325      7.483997
  H      -3.804398      3.208289      7.803873
  H      -2.233035      2.567099      8.360383
  C      -5.677058      4.009780      4.330323
  C      -6.973283      4.430717      5.055395
  C      -7.560968      3.208687      5.774325
  O      -7.647103      2.101309      4.846573
  C      -8.732557      2.046870      4.027765
  N      -9.925779      2.252526      4.572120
  C     -10.988557      2.205644      3.753304
  N     -10.979784      2.058308      2.440793
  C      -9.765385      1.896719      1.851526
  C      -9.680348      1.811889      0.441435
  C      -8.420829      1.670603     -0.134669
  C      -7.303306      1.641088      0.676545
  N      -7.323302      1.744467      2.040683
  C      -8.562860      1.859176      2.633343
  C      -2.056895     -0.574163      4.686531
  C      -1.439755     -1.254311      3.420419
  C      -2.392968     -2.197370      2.665927
  O      -2.258129     -2.177013      1.220361
  C      -2.784348     -1.147596      0.569028
  N      -3.264840     -0.126946      1.245431
  C      -3.904002      0.840516      0.555247
  N      -4.115568      0.903590     -0.737970
  C      -3.577855     -0.110668     -1.475957
  C      -3.741329     -0.119441     -2.875400
  C      -3.184626     -1.155090     -3.595994
  C      -2.478735     -2.172585     -2.908807
  N      -2.322226     -2.202187     -1.590653
  C      -2.859050     -1.186923     -0.875701
  C      -5.786728      0.343274      6.627636
  C      -5.718585     -1.205487      6.676255
  C      -6.843110     -1.888625      5.898302
  O      -6.631825     -1.779088      4.466944
  C      -7.632408     -1.354996      3.665603
  N      -8.798041     -0.980393      4.165754
  C      -9.814351     -0.773725      3.295031
  N      -9.822782     -1.055105      2.009268
  C      -8.610991     -1.370446      1.462248
  C      -8.508206     -1.652204      0.082051
  C      -7.275469     -2.010032     -0.429296
  C      -6.160601     -2.017592      0.423755
  N      -6.200374     -1.724608      1.720127
  C      -7.421844     -1.446355      2.245162
  H      -5.396958      4.775895      3.580340
  H      -5.896964      3.067936      3.810181
  H      -6.780002      5.228835      5.783909
  H      -7.695899      4.803835      4.316042
  H      -8.549509      3.402584      6.206136
  H      -6.867488      2.878203      6.555582
  H     -11.961876      2.352162      4.227178
  H     -10.591353      1.839645     -0.149540
  H      -8.273222      1.587276     -1.213949
  H      -6.324333      1.532628      0.218317
  H      -1.364743     -0.743760      5.528593
  H      -3.016427     -1.050697      4.930957
  H      -0.543230     -1.815451      3.707841
  H      -1.130442     -0.462831      2.727813
  H      -3.441022     -1.967748      2.908537
  H      -2.182590     -3.243762      2.910775
  H      -4.302442      1.649009      1.165265
  H      -4.300242      0.700152     -3.331285
  H      -3.277183     -1.197844     -4.679220
  H      -2.023295     -2.999574     -3.462478
  H      -6.470271      0.620486      5.820046
  H      -6.225667      0.711152      7.571990
  H      -4.763464     -1.531429      6.241995
  H      -5.770378     -1.566945      7.710503
  H      -7.826392     -1.467827      6.139878
  H      -6.838962     -2.965219      6.118282
  H     -10.749955     -0.393101      3.721719
  H      -9.401305     -1.614068     -0.537303
  H      -7.159515     -2.267870     -1.479898
  H      -5.178633     -2.288685      0.043115
  N      -5.227794      1.191300      3.360176
  N      -5.999796      0.766534      2.511060
  H      -5.543577      0.540003      1.604383
98
Coordinates from ORCA-job orca E -6532.247273252632
  N      -4.572286      3.721343      5.240674
  Mo     -3.934286      1.915529      4.775999
  N      -4.512219      0.971412      6.369241
  C      -3.628875      1.069274      7.533952
  C      -3.025822      2.473132      7.611725
  N      -2.449749      2.835128      6.285730
  C      -2.408594      4.304500      6.084152
  C      -3.824353      4.813398      5.823070
  C      -1.090468      2.261177      6.095488
  C      -1.043619      1.689581      4.675524
  N      -2.263606      0.900817      4.523447
  H      -3.791834      5.676407      5.136104
  H      -4.297124      5.161984      6.760928
  H      -1.789483      4.496539      5.196441
  H      -1.948533      4.806427      6.951420
  H      -0.134416      1.086309      4.531198
  H      -1.025629      2.510672      3.939630
  H      -0.937333      1.447986      6.817767
  H      -0.310723      3.021202      6.255660
  H      -4.188571      0.874278      8.462341
  H      -2.823561      0.314541      7.467815
  H      -3.831113      3.181912      7.843265
  H      -2.259020      2.539596      8.400402
  C      -5.682931      4.059083      4.352140
  C      -6.984853      4.461419      5.077005
  C      -7.584711      3.231926      5.766322
  O      -7.664335      2.137576      4.814367
  C      -8.740805      2.069065      3.992973
  N      -9.947919      2.217947      4.524446
  C     -11.001987      2.129047      3.685656
  N     -10.968736      1.995018      2.368688
  C      -9.737170      1.887963      1.796469
  C      -9.630644      1.812396      0.386383
  C      -8.361014      1.718229     -0.175339
  C      -7.246031      1.718137      0.644533
  N      -7.286740      1.813655      2.012103
  C      -8.542451      1.890622      2.599351
  C      -2.045964     -0.535911      4.676480
  C      -1.421130     -1.221166      3.421290
  C      -2.381831     -2.161191      2.675478
  O      -2.234362     -2.174095      1.225410
  C      -2.746766     -1.151027      0.549319
  N      -3.211238     -0.101323      1.198966
  C      -3.840515      0.853597      0.476356
  N      -4.065172      0.880298     -0.822097
  C      -3.543434     -0.172832     -1.523724
  C      -3.723535     -0.235030     -2.922239
  C      -3.189757     -1.306846     -3.608386
  C      -2.489464     -2.307335     -2.889462
  N      -2.315488     -2.291327     -1.570455
  C      -2.831444     -1.238914     -0.891788
  C      -5.779213      0.296435      6.602522
  C      -5.669079     -1.251956      6.626707
  C      -6.783871     -1.954411      5.866611
  O      -6.599434     -1.810106      4.432222
  C      -7.635664     -1.402242      3.688881
  N      -8.783198     -1.067811      4.247143
  C      -9.846602     -0.855327      3.427721
  N      -9.905922     -1.090061      2.130576
  C      -8.706651     -1.366042      1.526735
  C      -8.651047     -1.591712      0.130461
  C      -7.434735     -1.892747     -0.444930
  C      -6.277068     -1.902896      0.363869
  N      -6.272438     -1.664189      1.671559
  C      -7.481507     -1.444271      2.255993
  H      -5.394404      4.835486      3.620145
  H      -5.915782      3.139385      3.807035
  H      -6.797109      5.244655      5.826651
  H      -7.699423      4.853813      4.337371
  H      -8.576990      3.416144      6.196913
  H      -6.898529      2.880757      6.546789
  H     -11.989719      2.225372      4.147432
  H     -10.539111      1.810559     -0.213695
  H      -8.196503      1.646154     -1.253749
  H      -6.256959      1.642883      0.190692
  H      -1.365080     -0.709762      5.527972
  H      -3.010106     -1.009122      4.911638
  H      -0.531040     -1.788480      3.725790
  H      -1.093346     -0.438407      2.725191
  H      -3.429474     -1.915742      2.906753
  H      -2.186333     -3.207035      2.938674
  H      -4.232187      1.685102      1.069257
  H      -4.280288      0.574397     -3.402094
  H      -3.297106     -1.392979     -4.690625
  H      -2.056212     -3.161530     -3.419796
  H      -6.474103      0.577074      5.804784
  H      -6.217489      0.643153      7.555868
  H      -4.708402     -1.545083      6.176596
  H      -5.696300     -1.633158      7.657915
  H      -7.775003     -1.566579      6.135461
  H      -6.747833     -3.035108      6.067506
  H     -10.761020     -0.483347      3.910477
  H      -9.573407     -1.548366     -0.449888
  H      -7.355067     -2.103326     -1.512249
  H      -5.302788     -2.128900     -0.075678
  N      -5.164258      1.240030      3.421104
  N      -5.920966      0.825060      2.563828
  H      -5.468665      0.586537      1.645512
98
Coordinates from ORCA-job orca E -6532.265913534849
  N      -4.555349      3.735878      5.228076
  Mo     -3.942089      1.913741      4.780658
  N      -4.537621      0.970324      6.364788
  C      -3.650867      1.068417      7.529239
  C      -3.032648      2.464592      7.611043
  N      -2.444738      2.821858      6.286804
  C      -2.383528      4.291819      6.079262
  C      -3.789878      4.817852      5.810245
  C      -1.088172      2.233648      6.094436
  C      -1.048584      1.674517      4.670030
  N      -2.273729      0.892425      4.513621
  H      -3.744603      5.678614      5.121149
  H      -4.261043      5.176441      6.745653
  H      -1.757125      4.468289      5.193042
  H      -1.915667      4.788942      6.945308
  H      -0.145418      1.064148      4.515256
  H      -1.022509      2.501246      3.940669
  H      -0.943207      1.417378      6.815134
  H      -0.303807      2.988110      6.261679
  H      -4.216135      0.876915      8.455374
  H      -2.852019      0.306763      7.466012
  H      -3.828147      3.186066      7.838600
  H      -2.267453      2.522515      8.402186
  C      -5.669069      4.107949      4.346062
  C      -6.957388      4.521867      5.082230
  C      -7.568540      3.300388      5.768682
  O      -7.663104      2.209340      4.812491
  C      -8.746834      2.141283      4.009373
  N      -9.949656      2.270437      4.550977
  C     -11.009684      2.156489      3.718788
  N     -10.985483      2.018581      2.403540
  C      -9.755094      1.927842      1.823482
  C      -9.655717      1.840170      0.415842
  C      -8.389908      1.751950     -0.149596
  C      -7.265735      1.764943      0.664773
  N      -7.303945      1.873224      2.022156
  C      -8.555147      1.951381      2.616609
  C      -2.072780     -0.547807      4.655481
  C      -1.445933     -1.224680      3.400498
  C      -2.409372     -2.153102      2.646946
  O      -2.242873     -2.158233      1.196302
  C      -2.755150     -1.127528      0.530074
  N      -3.231889     -0.087019      1.190378
  C      -3.865442      0.868603      0.472545
  N      -4.093058      0.905779     -0.825443
  C      -3.558434     -0.140183     -1.532145
  C      -3.741759     -0.199444     -2.931401
  C      -3.193186     -1.258974     -3.623545
  C      -2.476946     -2.251851     -2.911635
  N      -2.303357     -2.244655     -1.593386
  C      -2.833795     -1.203042     -0.910096
  C      -5.808926      0.299198      6.596965
  C      -5.701969     -1.247771      6.637575
  C      -6.815843     -1.956512      5.889815
  O      -6.617318     -1.832825      4.452333
  C      -7.640713     -1.448111      3.684779
  N      -8.798741     -1.092549      4.204103
  C      -9.842369     -0.902838      3.353554
  N      -9.875252     -1.175922      2.063900
  C      -8.663064     -1.477015      1.500315
  C      -8.573118     -1.742605      0.112076
  C      -7.344009     -2.049754     -0.426843
  C      -6.203069     -2.028860      0.409678
  N      -6.232570     -1.757229      1.708702
  C      -7.456037     -1.532241      2.257193
  H      -5.367731      4.880825      3.617366
  H      -5.934327      3.206582      3.792039
  H      -6.756654      5.296539      5.838474
  H      -7.668169      4.932204      4.348038
  H      -8.555680      3.491908      6.208624
  H      -6.883575      2.932061      6.543243
  H     -11.995180      2.233266      4.188363
  H     -10.569350      1.823532     -0.176838
  H      -8.228650      1.671121     -1.227711
  H      -6.277096      1.691159      0.206714
  H      -1.399781     -0.730644      5.511774
  H      -3.040918     -1.014510      4.885239
  H      -0.560739     -1.799069      3.708171
  H      -1.105018     -0.439880      2.712961
  H      -3.457949     -1.904115      2.868327
  H      -2.223603     -3.201870      2.906434
  H      -4.270070      1.688456      1.074970
  H      -4.314195      0.602640     -3.404562
  H      -3.300528     -1.342305     -4.706281
  H      -2.031015     -3.093720     -3.451351
  H      -6.500832      0.582124      5.796020
  H      -6.245327      0.657399      7.546804
  H      -4.739623     -1.549174      6.196382
  H      -5.729686     -1.616845      7.674140
  H      -7.807828     -1.566529      6.150508
  H      -6.783720     -3.034935      6.103573
  H     -10.756501     -0.490533      3.801075
  H      -9.483519     -1.715662     -0.488730
  H      -7.235990     -2.286442     -1.486492
  H      -5.218203     -2.256110     -0.005413
  N      -5.144165      1.249817      3.490605
  N      -5.906949      0.833229      2.640378
  H      -5.479891      0.554727      1.722630
98
Coordinates from ORCA-job orca E -6532.281615830304
  N      -4.551478      3.744523      5.219764
  Mo     -3.942327      1.911290      4.791846
  N      -4.550889      0.957281      6.362717
  C      -3.665157      1.060472      7.529782
  C      -3.045391      2.455548      7.620360
  N      -2.444255      2.816982      6.302512
  C      -2.377143      4.287621      6.092744
  C      -3.778727      4.819730      5.809485
  C      -1.085825      2.226749      6.112450
  C      -1.043041      1.682557      4.682634
  N      -2.264682      0.896989      4.513289
  H      -3.723299      5.680587      5.120948
  H      -4.255749      5.182341      6.740850
  H      -1.741562      4.456538      5.211402
  H      -1.910481      4.783020      6.960679
  H      -0.139935      1.073635      4.519820
  H      -1.012798      2.516888      3.962354
  H      -0.944974      1.406605      6.829588
  H      -0.303974      2.981607      6.292015
  H      -4.235981      0.864883      8.452062
  H      -2.865141      0.299856      7.469767
  H      -3.838703      3.181297      7.842831
  H      -2.285349      2.509497      8.417032
  C      -5.663153      4.148847      4.343496
  C      -6.945983      4.565354      5.084997
  C      -7.571754      3.345886      5.757741
  O      -7.677278      2.262848      4.790445
  C      -8.765208      2.196902      3.997697
  N      -9.965143      2.310373      4.543361
  C     -11.029340      2.175566      3.715702
  N     -11.012165      2.027441      2.403450
  C      -9.781893      1.949545      1.818665
  C      -9.685197      1.846498      0.412937
  C      -8.423114      1.767504     -0.151582
  C      -7.293394      1.801000      0.665498
  N      -7.332831      1.921675      2.008779
  C      -8.578197      1.995841      2.602397
  C      -2.064646     -0.544683      4.641256
  C      -1.428860     -1.215282      3.388402
  C      -2.390828     -2.143209      2.634078
  O      -2.213928     -2.153031      1.182616
  C      -2.731470     -1.123545      0.518139
  N      -3.211919     -0.085852      1.181233
  C      -3.853548      0.864418      0.464855
  N      -4.094182      0.898827     -0.830146
  C      -3.557551     -0.146614     -1.537748
  C      -3.757079     -0.215621     -2.934946
  C      -3.206210     -1.272851     -3.627656
  C      -2.472188     -2.254633     -2.919226
  N      -2.285250     -2.241546     -1.603843
  C      -2.818464     -1.201340     -0.920553
  C      -5.818902      0.275931      6.586874
  C      -5.699451     -1.268934      6.634252
  C      -6.810581     -1.986717      5.893878
  O      -6.610490     -1.867017      4.453961
  C      -7.634634     -1.488862      3.685878
  N      -8.789493     -1.118297      4.202679
  C      -9.830342     -0.919635      3.351417
  N      -9.865594     -1.188086      2.061319
  C      -8.657153     -1.508694      1.500324
  C      -8.567669     -1.768841      0.110235
  C      -7.340967     -2.080341     -0.430323
  C      -6.199597     -2.073059      0.407628
  N      -6.230654     -1.810750      1.707747
  C      -7.452012     -1.580128      2.256757
  H      -5.349958      4.924450      3.622985
  H      -5.951112      3.265890      3.773435
  H      -6.740679      5.328411      5.852466
  H      -7.650005      4.994918      4.354720
  H      -8.556538      3.542267      6.201055
  H      -6.893326      2.957604      6.528878
  H     -12.012930      2.235676      4.192111
  H     -10.601422      1.812693     -0.175871
  H      -8.261937      1.678002     -1.229427
  H      -6.304129      1.733125      0.206900
  H      -1.399698     -0.729276      5.504122
  H      -3.033061     -1.013510      4.864499
  H      -0.544760     -1.790068      3.700057
  H      -1.080964     -0.429551      2.705553
  H      -3.440738     -1.894184      2.846952
  H      -2.208539     -3.191982      2.897249
  H      -4.265098      1.677612      1.072213
  H      -4.345159      0.576971     -3.405091
  H      -3.325105     -1.364213     -4.708711
  H      -2.024646     -3.093455     -3.462695
  H      -6.509048      0.557279      5.783177
  H      -6.259312      0.635799      7.534369
  H      -4.733722     -1.566995      6.198122
  H      -5.722745     -1.633008      7.673308
  H      -7.804502     -1.601036      6.153892
  H      -6.776307     -3.064879      6.109359
  H     -10.734797     -0.486874      3.798229
  H      -9.478611     -1.727234     -0.489558
  H      -7.231733     -2.309745     -1.491667
  H      -5.216861     -2.302534     -0.012390
  N      -5.116596      1.249368      3.547189
  N      -5.881815      0.824936      2.701313
  H      -5.468043      0.524583      1.791519
98
Coordinates from ORCA-job orca E -6532.295000195256
  N      -4.543826      3.746053      5.204547
  Mo     -3.933426      1.902183      4.803060
  N      -4.556394      0.941507      6.364363
  C      -3.675760      1.051095      7.535641
  C      -3.054564      2.445334      7.630638
  N      -2.438423      2.807570      6.320765
  C      -2.368120      4.277395      6.106448
  C      -3.765366      4.814329      5.804150
  C      -1.079057      2.214907      6.137302
  C      -1.028922      1.682661      4.702946
  N      -2.245881      0.894394      4.518276
  H      -3.697097      5.674592      5.115860
  H      -4.250889      5.181742      6.729349
  H      -1.722079      4.438876      5.231544
  H      -1.906397      4.773778      6.976466
  H      -0.125359      1.075511      4.535732
  H      -0.993144      2.523541      3.991054
  H      -0.944362      1.391646      6.851759
  H      -0.300007      2.969556      6.329690
  H      -4.253279      0.855414      8.453985
  H      -2.875370      0.290629      7.482940
  H      -3.846166      3.175535      7.844269
  H      -2.301949      2.497008      8.434506
  C      -5.648224      4.179350      4.333815
  C      -6.928963      4.597853      5.076584
  C      -7.572232      3.379520      5.732450
  O      -7.688865      2.308024      4.751334
  C      -8.782783      2.250950      3.968826
  N      -9.977874      2.354929      4.520326
  C     -11.049086      2.210711      3.700686
  N     -11.044061      2.059402      2.391368
  C      -9.816755      1.988286      1.799026
  C      -9.725222      1.875244      0.393972
  C      -8.469832      1.798010     -0.172386
  C      -7.333353      1.839894      0.649445
  N      -7.373246      1.966151      1.976029
  C      -8.607682      2.043595      2.567310
  C      -2.047731     -0.547275      4.631854
  C      -1.409117     -1.205530      3.375873
  C      -2.377586     -2.125572      2.621533
  O      -2.201085     -2.129401      1.169724
  C      -2.728193     -1.100062      0.511169
  N      -3.216865     -0.067224      1.176987
  C      -3.868045      0.878280      0.463367
  N      -4.115586      0.909889     -0.829018
  C      -3.573244     -0.131401     -1.539465
  C      -3.781662     -0.208128     -2.935624
  C      -3.222904     -1.260275     -3.628364
  C      -2.472370     -2.230220     -2.922103
  N      -2.278889     -2.211989     -1.609677
  C      -2.820272     -1.176749     -0.926128
  C      -5.820915      0.252837      6.581771
  C      -5.696330     -1.290259      6.643889
  C      -6.809263     -2.013007      5.912339
  O      -6.605044     -1.905362      4.471618
  C      -7.625905     -1.531607      3.697169
  N      -8.776487     -1.136821      4.206508
  C      -9.809111     -0.930903      3.350099
  N      -9.844102     -1.204775      2.061964
  C      -8.641006     -1.555296      1.508943
  C      -8.548978     -1.822672      0.120604
  C      -7.322909     -2.148582     -0.414304
  C      -6.185969     -2.152469      0.428334
  N      -6.222488     -1.888962      1.727796
  C      -7.441817     -1.642096      2.270026
  H      -5.322866      4.958439      3.622164
  H      -5.953968      3.311816      3.746303
  H      -6.721315      5.349097      5.854951
  H      -7.625017      5.045681      4.349616
  H      -8.555697      3.582190      6.175734
  H      -6.903576      2.969867      6.501104
  H     -12.027720      2.260668      4.187600
  H     -10.644379      1.833783     -0.189938
  H      -8.313676      1.702766     -1.249694
  H      -6.343241      1.772001      0.190798
  H      -1.390330     -0.738082      5.499521
  H      -3.016823     -1.018039      4.847304
  H      -0.525831     -1.784235      3.682080
  H      -1.057350     -0.415363      2.700602
  H      -3.426449     -1.874823      2.834903
  H      -2.199727     -3.176199      2.880518
  H      -4.287094      1.685112      1.073963
  H      -4.383376      0.573318     -3.405497
  H      -3.347764     -1.357562     -4.707829
  H      -2.018089     -3.063682     -3.467117
  H      -6.507355      0.530859      5.773105
  H      -6.265800      0.618642      7.524945
  H      -4.728944     -1.593081      6.215416
  H      -5.718246     -1.643336      7.686660
  H      -7.801975     -1.622309      6.168872
  H      -6.781113     -3.089927      6.133985
  H     -10.702720     -0.470697      3.788896
  H      -9.457007     -1.767961     -0.482089
  H      -7.209631     -2.379977     -1.474430
  H      -5.204319     -2.391049      0.010223
  N      -5.095693      1.232792      3.578675
  N      -5.864612      0.796131      2.738210
  H      -5.459490      0.476038      1.837355
98
Coordinates from ORCA-job orca E -6532.305817167553
  N      -4.538612      3.746521      5.194606
  Mo     -3.922552      1.894254      4.823142
  N      -4.557316      0.926942      6.375244
  C      -3.685211      1.042003      7.553002
  C      -3.065324      2.436476      7.650907
  N      -2.434044      2.800345      6.349208
  C      -2.365087      4.269180      6.131556
  C      -3.757871      4.807551      5.809073
  C      -1.073600      2.207515      6.173136
  C      -1.012399      1.689995      4.734017
  N      -2.223124      0.898251      4.530833
  H      -3.675963      5.668692      5.123348
  H      -4.254861      5.177205      6.727295
  H      -1.708166      4.426747      5.264159
  H      -1.911731      4.767985      7.004649
  H      -0.106481      1.087033      4.563325
  H      -0.972014      2.538854      4.032072
  H      -0.945339      1.379482      6.883102
  H      -0.298254      2.962075      6.380473
  H      -4.269404      0.846973      8.467525
  H      -2.884005      0.281838      7.509052
  H      -3.856910      3.169682      7.854349
  H      -2.321707      2.487374      8.463403
  C      -5.634354      4.205561      4.329796
  C      -6.914209      4.623468      5.074330
  C      -7.573700      3.404588      5.712203
  O      -7.701700      2.345665      4.716972
  C      -8.803009      2.297873      3.945736
  N      -9.992612      2.406596      4.503649
  C     -11.073028      2.257652      3.694049
  N     -11.081646      2.088650      2.387403
  C      -9.858260      2.010685      1.786834
  C      -9.772274      1.873784      0.380879
  C      -8.523627      1.790270     -0.191696
  C      -7.379995      1.848108      0.631517
  N      -7.419331      1.990832      1.947046
  C      -8.643203      2.076102      2.538540
  C      -2.021780     -0.543499      4.626150
  C      -1.381227     -1.186609      3.363124
  C      -2.353292     -2.102185      2.607202
  O      -2.182078     -2.102924      1.154404
  C      -2.724012     -1.081043      0.495353
  N      -3.222624     -0.051126      1.157583
  C      -3.888184      0.883680      0.441493
  N      -4.144459      0.902369     -0.849049
  C      -3.595220     -0.137005     -1.556599
  C      -3.815594     -0.229834     -2.950152
  C      -3.247278     -1.279320     -3.639016
  C      -2.474991     -2.231557     -2.931423
  N      -2.271986     -2.199478     -1.621100
  C      -2.823578     -1.166639     -0.941145
  C      -5.819793      0.230828      6.579057
  C      -5.690899     -1.310697      6.651966
  C      -6.803747     -2.036971      5.922171
  O      -6.594646     -1.938994      4.480981
  C      -7.610812     -1.562086      3.700493
  N      -8.754813     -1.139965      4.204805
  C      -9.778117     -0.911223      3.343344
  N      -9.812010     -1.175459      2.053089
  C      -8.616881     -1.560363      1.505813
  C      -8.523101     -1.821310      0.116511
  C      -7.300775     -2.170147     -0.414116
  C      -6.170161     -2.209709      0.435244
  N      -6.210580     -1.959376      1.737290
  C      -7.425448     -1.684153      2.274117
  H      -5.298323      4.990171      3.629123
  H      -5.952421      3.352541      3.722722
  H      -6.705396      5.363094      5.863618
  H      -7.603387      5.088644      4.351710
  H      -8.556214      3.613397      6.154866
  H      -6.914591      2.974553      6.477990
  H     -12.045837      2.309119      4.192405
  H     -10.695376      1.822376     -0.196755
  H      -8.375278      1.678956     -1.268491
  H      -6.390494      1.775238      0.170182
  H      -1.369944     -0.741346      5.496781
  H      -2.990093     -1.019545      4.833762
  H      -0.496560     -1.767246      3.661243
  H      -1.029778     -0.389701      2.695654
  H      -3.401662     -1.852807      2.822798
  H      -2.175357     -3.153823      2.862446
  H      -4.315895      1.686997      1.050140
  H      -4.434678      0.536241     -3.422745
  H      -3.380809     -1.388640     -4.716205
  H      -2.012172     -3.061774     -3.474321
  H      -6.498810      0.505922      5.762261
  H      -6.274838      0.600481      7.516092
  H      -4.720443     -1.617151      6.233289
  H      -5.715599     -1.655148      7.697577
  H      -7.795531     -1.640181      6.172953
  H      -6.782149     -3.113009      6.148466
  H     -10.664237     -0.434938      3.779530
  H      -9.425800     -1.737343     -0.490684
  H      -7.185021     -2.393488     -1.475641
  H      -5.191700     -2.465014      0.019176
  N      -5.081835      1.209669      3.606947
  N      -5.851994      0.756939      2.781172
  H      -5.447842      0.423225      1.887483
98
Coordinates from ORCA-job orca E -6532.314520862150
  N      -4.527180      3.740890      5.166396
  Mo     -3.905677      1.881499      4.833646
  N      -4.553493      0.915202      6.381568
  C      -3.694371      1.036847      7.567531
  C      -3.075780      2.430790      7.663196
  N      -2.428296      2.789841      6.369262
  C      -2.360971      4.256601      6.144936
  C      -3.747791      4.794960      5.798742
  C      -1.068388      2.193545      6.205709
  C      -0.990940      1.685720      4.764002
  N      -2.197713      0.895039      4.540830
  H      -3.649824      5.656610      5.115842
  H      -4.259619      5.167189      6.707524
  H      -1.691585      4.410085      5.286548
  H      -1.919496      4.760718      7.020998
  H      -0.083263      1.084475      4.596709
  H      -0.941662      2.539746      4.069098
  H      -0.951872      1.361669      6.912938
  H      -0.294799      2.945453      6.428174
  H      -4.286590      0.847660      8.478247
  H      -2.893880      0.275356      7.536707
  H      -3.867332      3.167786      7.852304
  H      -2.343084      2.483621      8.485564
  C      -5.612350      4.219962      4.304655
  C      -6.892621      4.635481      5.050470
  C      -7.564342      3.414842      5.672459
  O      -7.700164      2.370803      4.662989
  C      -8.811364      2.331140      3.906407
  N      -9.995344      2.443025      4.474095
  C     -11.084756      2.293797      3.675439
  N     -11.107657      2.117029      2.369814
  C      -9.889367      2.036028      1.759520
  C      -9.810072      1.884829      0.352585
  C      -8.567565      1.795167     -0.230052
  C      -7.415562      1.858706      0.589417
  N      -7.452321      2.010977      1.901095
  C      -8.668443      2.104346      2.494770
  C      -2.002671     -0.547195      4.622759
  C      -1.370300     -1.180007      3.351802
  C      -2.357363     -2.080770      2.598235
  O      -2.193546     -2.072096      1.146560
  C      -2.740546     -1.048664      0.494422
  N      -3.241876     -0.021979      1.159422
  C      -3.908551      0.915632      0.445229
  N      -4.161623      0.935597     -0.845630
  C      -3.612444     -0.101603     -1.556280
  C      -3.831997     -0.194612     -2.950187
  C      -3.262429     -1.243187     -3.639278
  C      -2.488150     -2.194247     -2.932110
  N      -2.285724     -2.161489     -1.622271
  C      -2.840065     -1.130482     -0.941842
  C      -5.814707      0.214738      6.575959
  C      -5.681894     -1.324759      6.668494
  C      -6.796669     -2.058505      5.949007
  O      -6.587506     -1.975939      4.508045
  C      -7.601999     -1.601464      3.723928
  N      -8.738289     -1.155549      4.225323
  C      -9.754865     -0.912297      3.360337
  N      -9.789243     -1.173692      2.069398
  C      -8.602892     -1.589890      1.526496
  C      -8.508728     -1.850334      0.137790
  C      -7.289481     -2.217940     -0.388940
  C      -6.164197     -2.282982      0.464699
  N      -6.207287     -2.040352      1.768589
  C      -7.418117     -1.740867      2.300140
  H      -5.266534      5.010502      3.615292
  H      -5.935747      3.378933      3.678825
  H      -6.684206      5.365155      5.848932
  H      -7.576646      5.114429      4.332198
  H      -8.546225      3.628423      6.114052
  H      -6.913182      2.967818      6.435120
  H     -12.051055      2.347311      4.185562
  H     -10.737456      1.829025     -0.218014
  H      -8.432326      1.674080     -1.306523
  H      -6.428953      1.779889      0.122516
  H      -1.356292     -0.757653      5.494429
  H      -2.973984     -1.020403      4.824046
  H      -0.487982     -1.769613      3.637787
  H      -1.016640     -0.379245      2.689883
  H      -3.401629     -1.820984      2.820774
  H      -2.190185     -3.135851      2.846214
  H      -4.338118      1.717175      1.054805
  H      -4.451606      0.568378     -3.425646
  H      -3.396511     -1.352930     -4.716101
  H      -2.023831     -3.023150     -3.474513
  H      -6.486388      0.481661      5.750402
  H      -6.279885      0.592382      7.504923
  H      -4.710249     -1.637566      6.257482
  H      -5.706138     -1.654096      7.718745
  H      -7.786376     -1.653902      6.195666
  H      -6.779897     -3.132108      6.186005
  H     -10.634570     -0.421510      3.793176
  H      -9.406396     -1.745476     -0.473153
  H      -7.172506     -2.437610     -1.450882
  H      -5.188073     -2.551778      0.050833
  N      -5.066072      1.179624      3.611879
  N      -5.836450      0.708949      2.800560
  H      -5.428271      0.362063      1.912366
98
Coordinates from ORCA-job orca E -6532.324939904682
  N      -4.538621      3.743551      5.159994
  Mo     -3.906303      1.879097      4.862752
  N      -4.552192      0.897118      6.399248
  C      -3.699928      1.022064      7.590109
  C      -3.089634      2.417852      7.689547
  N      -2.435475      2.785554      6.402271
  C      -2.379308      4.252515      6.182275
  C      -3.762747      4.785575      5.823833
  C      -1.074059      2.192460      6.235803
  C      -0.985427      1.706383      4.786683
  N      -2.185696      0.913157      4.541515
  H      -3.655123      5.656250      5.154306
  H      -4.288263      5.147302      6.728941
  H      -1.702564      4.412703      5.331738
  H      -1.948163      4.757205      7.063603
  H      -0.074089      1.112043      4.612564
  H      -0.934144      2.571571      4.106070
  H      -0.962253      1.350813      6.932076
  H      -0.304470      2.942939      6.476731
  H      -4.293957      0.829299      8.498962
  H      -2.896270      0.263664      7.562585
  H      -3.883046      3.153940      7.874120
  H      -2.363801      2.470590      8.517999
  C      -5.625605      4.262632      4.322990
  C      -6.893197      4.654697      5.104647
  C      -7.565882      3.416386      5.688660
  O      -7.730379      2.411893      4.639952
  C      -8.871857      2.392468      3.929050
  N     -10.036332      2.495504      4.540078
  C     -11.153303      2.360071      3.778286
  N     -11.220383      2.195086      2.471801
  C     -10.019791      2.124339      1.819325
  C      -9.975458      1.978286      0.409201
  C      -8.752503      1.897807     -0.214501
  C      -7.572547      1.962808      0.575239
  N      -7.580385      2.108219      1.881460
  C      -8.776408      2.191106      2.505256
  C      -1.992725     -0.530176      4.598464
  C      -1.378532     -1.159378      3.318414
  C      -2.380061     -2.058395      2.581050
  O      -2.218062     -2.073137      1.128408
  C      -2.777533     -1.078836      0.439420
  N      -3.321771     -0.042943      1.057536
  C      -3.986312      0.860746      0.291841
  N      -4.191104      0.837071     -1.004983
  C      -3.598457     -0.212367     -1.665711
  C      -3.761604     -0.354728     -3.059764
  C      -3.152354     -1.417664     -3.693154
  C      -2.390848     -2.332827     -2.931811
  N      -2.234805     -2.251561     -1.621004
  C      -2.831831     -1.207486     -0.994822
  C      -5.808338      0.183346      6.577157
  C      -5.662400     -1.353715      6.676056
  C      -6.770135     -2.090973      5.949760
  O      -6.540588     -2.008663      4.511948
  C      -7.535646     -1.619955      3.712828
  N      -8.669311     -1.143743      4.194255
  C      -9.658675     -0.859492      3.309827
  N      -9.669849     -1.094828      2.013789
  C      -8.486529     -1.550370      1.493681
  C      -8.366664     -1.787990      0.103528
  C      -7.146421     -2.184363     -0.400717
  C      -6.045171     -2.309472      0.478387
  N      -6.115575     -2.097856      1.786792
  C      -7.327385     -1.760994      2.293830
  H      -5.273321      5.084234      3.673103
  H      -5.956385      3.456964      3.646776
  H      -6.671219      5.350131      5.933397
  H      -7.582956      5.172790      4.416734
  H      -8.538222      3.624471      6.155395
  H      -6.908015      2.930703      6.424126
  H     -12.100231      2.407014      4.327925
  H     -10.919795      1.920873     -0.131986
  H      -8.655658      1.781847     -1.294276
  H      -6.597369      1.890849      0.077840
  H      -1.344730     -0.752015      5.465662
  H      -2.963791     -1.001922      4.802830
  H      -0.496637     -1.755265      3.593580
  H      -1.025862     -0.360686      2.653621
  H      -3.422158     -1.790079      2.804866
  H      -2.217676     -3.111914      2.841747
  H      -4.454932      1.670400      0.862613
  H      -4.370089      0.380438     -3.583107
  H      -3.245741     -1.565953     -4.767234
  H      -1.896737     -3.171735     -3.429497
  H      -6.470686      0.445202      5.741880
  H      -6.290180      0.559907      7.498550
  H      -4.684982     -1.664369      6.276142
  H      -5.690880     -1.677889      7.728181
  H      -7.761234     -1.681907      6.185378
  H      -6.759377     -3.164791      6.185785
  H     -10.536772     -0.356617      3.728743
  H      -9.245156     -1.637570     -0.526774
  H      -7.009537     -2.383360     -1.464415
  H      -5.067783     -2.599728      0.080419
  N      -5.070455      1.167182      3.656157
  N      -5.856304      0.687629      2.872261
  H      -5.455959      0.345390      1.981270
98
Coordinates from ORCA-job orca E -6532.330424972371
  N      -4.492406      3.705069      5.090348
  Mo     -3.828628      1.836681      4.883317
  N      -4.506835      0.869619      6.414016
  C      -3.689722      1.020500      7.627117
  C      -3.098884      2.422977      7.718297
  N      -2.411481      2.778849      6.443696
  C      -2.370029      4.241065      6.200482
  C      -3.746144      4.751771      5.784472
  C      -1.039729      2.195200      6.318151
  C      -0.901345      1.706583      4.874376
  N      -2.087074      0.901706      4.596587
  H      -3.617294      5.618945      5.113625
  H      -4.313016      5.116173      6.664838
  H      -1.664997      4.398033      5.369761
  H      -1.975533      4.765285      7.087433
  H       0.020526      1.123611      4.725811
  H      -0.838850      2.570162      4.194289
  H      -0.944145      1.357973      7.021340
  H      -0.282918      2.952240      6.579914
  H      -4.306704      0.838375      8.523877
  H      -2.878922      0.268366      7.635549
  H      -3.905211      3.154006      7.867380
  H      -2.398499      2.496948      8.567919
  C      -5.557505      4.241464      4.235234
  C      -6.839202      4.615425      4.998624
  C      -7.538845      3.370511      5.536784
  O      -7.695984      2.398662      4.459820
  C      -8.830883      2.389197      3.745756
  N      -9.995985      2.495373      4.345458
  C     -11.108166      2.353362      3.574283
  N     -11.171119      2.169170      2.270081
  C      -9.967953      2.095027      1.629207
  C      -9.909998      1.918213      0.220930
  C      -8.685318      1.828653     -0.391260
  C      -7.508654      1.915320      0.407858
  N      -7.531299      2.091818      1.713114
  C      -8.730445      2.180186      2.321503
  C      -1.897250     -0.539461      4.640895
  C      -1.306096     -1.135871      3.337345
  C      -2.341883     -1.999392      2.604404
  O      -2.225206     -1.968836      1.153774
  C      -2.810801     -0.962729      0.511211
  N      -3.355512      0.047448      1.164936
  C      -4.047010      0.958360      0.432030
  N      -4.274001      0.961621     -0.860566
  C      -3.685674     -0.062122     -1.555364
  C      -3.877616     -0.179308     -2.947779
  C      -3.276711     -1.224225     -3.613224
  C      -2.490739     -2.144805     -2.885769
  N      -2.303482     -2.083795     -1.577423
  C      -2.895628     -1.059711     -0.921069
  C      -5.763817      0.147243      6.571784
  C      -5.611646     -1.386219      6.691769
  C      -6.730563     -2.134632      5.988961
  O      -6.546370     -2.070022      4.542050
  C      -7.579988     -1.684694      3.782618
  N      -8.681600     -1.194532      4.320019
  C      -9.710707     -0.891179      3.481744
  N      -9.785224     -1.111352      2.182363
  C      -8.638849     -1.588333      1.604256
  C      -8.588718     -1.811611      0.206466
  C      -7.399506     -2.222873     -0.358437
  C      -6.259341     -2.383107      0.470435
  N      -6.264159     -2.188530      1.784275
  C      -7.446022     -1.832266      2.350930
  H      -5.177995      5.083056      3.626647
  H      -5.868174      3.465737      3.522226
  H      -6.631465      5.284746      5.849717
  H      -7.508151      5.159364      4.312415
  H      -8.517021      3.576680      5.988332
  H      -6.903316      2.859198      6.271978
  H     -12.054674      2.405316      4.117018
  H     -10.850036      1.844236     -0.327952
  H      -8.589597      1.688483     -1.468728
  H      -6.530516      1.835791     -0.079151
  H      -1.251110     -0.779791      5.505291
  H      -2.871468     -1.011370      4.835836
  H      -0.422889     -1.745433      3.574059
  H      -0.962504     -0.319931      2.687228
  H      -3.371839     -1.723422      2.864452
  H      -2.189322     -3.061865      2.829309
  H      -4.514044      1.751633      1.027071
  H      -4.503027      0.557666     -3.449763
  H      -3.395843     -1.355661     -4.687542
  H      -2.003419     -2.971804     -3.408227
  H      -6.415933      0.393787      5.723971
  H      -6.262342      0.534998      7.479586
  H      -4.635548     -1.699430      6.292913
  H      -5.632419     -1.696490      7.748466
  H      -7.715989     -1.721272      6.238467
  H      -6.716000     -3.205501      6.239668
  H     -10.563492     -0.383691      3.950230
  H      -9.493492     -1.635348     -0.382525
  H      -7.315767     -2.409441     -1.430370
  H      -5.304589     -2.686313      0.022824
  N      -4.944064      1.067223      3.669994
  N      -5.709273      0.538361      2.902485
  H      -5.280443      0.167321      2.029323
98
Coordinates from ORCA-job orca E -6532.336491151718
  N      -4.497410      3.717157      5.103556
  Mo     -3.843288      1.848595      4.912012
  N      -4.512845      0.868815      6.440367
  C      -3.701565      1.008325      7.656704
  C      -3.109804      2.410348      7.752502
  N      -2.426433      2.771870      6.477693
  C      -2.384812      4.235560      6.246217
  C      -3.757362      4.749594      5.830116
  C      -1.059873      2.182139      6.344289
  C      -0.919222      1.715279      4.891319
  N      -2.107510      0.921216      4.593925
  H      -3.621876      5.631001      5.178651
  H      -4.332591      5.097023      6.709914
  H      -1.677033      4.403488      5.421143
  H      -1.995373      4.753677      7.138908
  H       0.001459      1.130491      4.739078
  H      -0.852567      2.590228      4.223716
  H      -0.972787      1.330264      7.032701
  H      -0.297877      2.929173      6.620260
  H      -4.317869      0.822776      8.552705
  H      -2.893649      0.254157      7.661389
  H      -3.915173      3.140892      7.905825
  H      -2.409381      2.480847      8.602164
  C      -5.570642      4.277151      4.268096
  C      -6.838083      4.638700      5.059035
  C      -7.539219      3.389890      5.576572
  O      -7.720254      2.455587      4.476127
  C      -8.881353      2.460865      3.802980
  N     -10.023863      2.564768      4.448251
  C     -11.163399      2.430632      3.715907
  N     -11.276700      2.246261      2.415074
  C     -10.099282      2.176572      1.729634
  C     -10.097613      1.996078      0.322647
  C      -8.894461      1.910485     -0.337879
  C      -7.685641      2.006300      0.407909
  N      -7.651529      2.189319      1.719614
  C      -8.833525      2.268110      2.376796
  C      -1.926930     -0.522095      4.615407
  C      -1.349828     -1.106008      3.298294
  C      -2.382607     -1.974429      2.567213
  O      -2.238117     -1.970808      1.119398
  C      -2.824010     -0.995976      0.429938
  N      -3.411999      0.023775      1.031881
  C      -4.096293      0.897286      0.241829
  N      -4.275671      0.853187     -1.060108
  C      -3.646968     -0.184945     -1.702901
  C      -3.793536     -0.359446     -3.102259
  C      -3.161656     -1.425065     -3.706567
  C      -2.386767     -2.306329     -2.914078
  N      -2.236653     -2.187536     -1.600060
  C      -2.861936     -1.145993     -1.003092
  C      -5.768041      0.138385      6.588910
  C      -5.611793     -1.396157      6.706937
  C      -6.722744     -2.148494      5.994374
  O      -6.514846     -2.089158      4.551817
  C      -7.520754     -1.693403      3.761873
  N      -8.628132     -1.179100      4.261317
  C      -9.612764     -0.843147      3.388274
  N      -9.636105     -1.040876      2.085719
  C      -8.482980     -1.548530      1.549166
  C      -8.378742     -1.752450      0.152610
  C      -7.183116     -2.196035     -0.367760
  C      -6.092959     -2.413731      0.503777
  N      -6.149562     -2.240917      1.819139
  C      -7.337388     -1.845059      2.339407
  H      -5.188077      5.141967      3.698049
  H      -5.878385      3.529369      3.525394
  H      -6.612096      5.282842      5.922180
  H      -7.512922      5.206173      4.400117
  H      -8.507976      3.595769      6.048515
  H      -6.896087      2.856690      6.287467
  H     -12.090496      2.481531      4.291406
  H     -11.059196      1.916497     -0.191238
  H      -8.850377      1.767239     -1.417622
  H      -6.725769      1.931602     -0.115024
  H      -1.274333     -0.779426      5.469493
  H      -2.901599     -0.991946      4.814820
  H      -0.465583     -1.715592      3.527619
  H      -1.011030     -0.288393      2.647401
  H      -3.415891     -1.692789      2.812604
  H      -2.234432     -3.033005      2.812522
  H      -4.607636      1.695685      0.793171
  H      -4.411496      0.348256     -3.660538
  H      -3.249905     -1.602915     -4.782574
  H      -1.877913     -3.151217     -3.384285
  H      -6.412567      0.381100      5.735240
  H      -6.279027      0.520443      7.491768
  H      -4.632518     -1.707057      6.313217
  H      -5.638549     -1.705880      7.763110
  H      -7.710245     -1.732683      6.230847
  H      -6.710029     -3.218052      6.248312
  H     -10.478381     -0.330667      3.825236
  H      -9.245745     -1.535866     -0.470859
  H      -7.058807     -2.367377     -1.437854
  H      -5.134404     -2.743989      0.092469
  N      -4.978214      1.081391      3.693628
  N      -5.755943      0.540095      2.940675
  H      -5.330146      0.184051      2.056225
98
Coordinates from ORCA-job orca E -6532.340622480114
  N      -4.459211      3.721293      5.058269
  Mo     -3.843118      1.837847      4.919404
  N      -4.527100      0.886210      6.460629
  C      -3.724659      1.027407      7.681921
  C      -3.111186      2.419463      7.759275
  N      -2.420973      2.750026      6.480663
  C      -2.355571      4.211475      6.232093
  C      -3.717270      4.742882      5.800517
  C      -1.066604      2.130047      6.358077
  C      -0.923467      1.657699      4.908221
  N      -2.126154      0.890583      4.594993
  H      -3.561873      5.625842      5.154280
  H      -4.301342      5.095146      6.671872
  H      -1.637437      4.362553      5.412308
  H      -1.967436      4.734651      7.122114
  H      -0.012745      1.054497      4.767398
  H      -0.834476      2.530763      4.240561
  H      -1.005357      1.275584      7.046625
  H      -0.288803      2.857929      6.639849
  H      -4.348559      0.864541      8.576154
  H      -2.929038      0.260234      7.702780
  H      -3.906643      3.164945      7.898440
  H      -2.412155      2.493049      8.609622
  C      -5.532729      4.290844      4.227566
  C      -6.792722      4.663041      5.025073
  C      -7.503253      3.421911      5.546038
  O      -7.702161      2.497864      4.444242
  C      -8.886462      2.489462      3.807407
  N     -10.013797      2.589398      4.487386
  C     -11.175490      2.442909      3.788798
  N     -11.323349      2.245363      2.492481
  C     -10.163380      2.181443      1.772168
  C     -10.202075      1.987150      0.369117
  C      -9.014122      1.906143     -0.323839
  C      -7.786446      2.021820      0.382145
  N      -7.709592      2.220470      1.691863
  C      -8.877545      2.291242      2.383175
  C      -1.984135     -0.560025      4.594528
  C      -1.460757     -1.145108      3.256218
  C      -2.533859     -1.975315      2.535225
  O      -2.386223     -1.971230      1.088950
  C      -2.956305     -0.990662      0.395770
  N      -3.556227      0.025121      0.994910
  C      -4.195032      0.923733      0.198392
  N      -4.310038      0.912297     -1.106316
  C      -3.670054     -0.122922     -1.744207
  C      -3.740798     -0.256802     -3.144317
  C      -3.099070     -1.319837     -3.744011
  C      -2.388802     -2.238020     -2.946106
  N      -2.303573     -2.153833     -1.630383
  C      -2.939170     -1.115023     -1.038401
  C      -5.790781      0.172579      6.607853
  C      -5.643455     -1.359555      6.764880
  C      -6.749825     -2.127317      6.064044
  O      -6.508946     -2.103564      4.627100
  C      -7.480860     -1.721632      3.790662
  N      -8.605713     -1.190428      4.228944
  C      -9.543664     -0.859934      3.303824
  N      -9.501143     -1.069032      2.004084
  C      -8.328964     -1.600261      1.532123
  C      -8.154116     -1.821017      0.145146
  C      -6.938525     -2.287344     -0.304330
  C      -5.900940     -2.516299      0.626340
  N      -6.026509     -2.331295      1.934670
  C      -7.232866     -1.906996      2.383686
  H      -5.138605      5.159410      3.673695
  H      -5.841525      3.552093      3.476324
  H      -6.552812      5.303497      5.886384
  H      -7.467076      5.239216      4.373930
  H      -8.465908      3.638344      6.027560
  H      -6.857991      2.882045      6.249529
  H     -12.090151      2.492258      4.389055
  H     -11.176272      1.895368     -0.118281
  H      -9.003439      1.752391     -1.403558
  H      -6.839985      1.953751     -0.165800
  H      -1.320546     -0.851085      5.428619
  H      -2.967773     -1.002028      4.810354
  H      -0.589999     -1.784425      3.458874
  H      -1.114043     -0.329619      2.605898
  H      -3.555056     -1.657195      2.789388
  H      -2.423091     -3.040159      2.780167
  H      -4.711869      1.720674      0.745912
  H      -4.305420      0.478688     -3.708861
  H      -3.130251     -1.465571     -4.819621
  H      -1.874268     -3.082853     -3.412301
  H      -6.419487      0.400860      5.738144
  H      -6.314965      0.575723      7.493935
  H      -4.664625     -1.687467      6.383247
  H      -5.675687     -1.640374      7.829393
  H      -7.738938     -1.701494      6.276194
  H      -6.742340     -3.190036      6.345926
  H     -10.429065     -0.343871      3.691027
  H      -8.982647     -1.598522     -0.526493
  H      -6.759885     -2.470146     -1.364566
  H      -4.927338     -2.865054      0.272405
  N      -4.983547      1.073046      3.700583
  N      -5.760656      0.516699      2.957617
  H      -5.329162      0.156250      2.074223
98
Coordinates from ORCA-job orca E -6532.344651653946
  N      -4.432818      3.724528      5.049545
  Mo     -3.814473      1.848014      4.947946
  N      -4.516381      0.888144      6.480279
  C      -3.738489      1.027616      7.717935
  C      -3.135329      2.424479      7.807426
  N      -2.431148      2.760594      6.536480
  C      -2.373269      4.223032      6.293742
  C      -3.729070      4.741296      5.834341
  C      -1.072862      2.149144      6.430612
  C      -0.893806      1.698123      4.976168
  N      -2.086784      0.930289      4.624224
  H      -3.567043      5.637627      5.209446
  H      -4.343403      5.070076      6.693971
  H      -1.638335      4.386084      5.492249
  H      -2.012225      4.747595      7.194765
  H       0.023224      1.101931      4.848776
  H      -0.795996      2.580183      4.321515
  H      -1.024349      1.283854      7.105911
  H      -0.302221      2.875280      6.739862
  H      -4.377927      0.860076      8.601154
  H      -2.939707      0.264398      7.751575
  H      -3.939468      3.161358      7.935432
  H      -2.449331      2.506781      8.667809
  C      -5.502580      4.290840      4.215267
  C      -6.772428      4.627274      5.009810
  C      -7.470571      3.364153      5.498767
  O      -7.653611      2.473661      4.369414
  C      -8.846812      2.456257      3.752341
  N      -9.965602      2.544398      4.453272
  C     -11.133330      2.403804      3.771622
  N     -11.294156      2.215269      2.476551
  C     -10.142746      2.164920      1.736553
  C     -10.197206      1.985861      0.336366
  C      -9.012947      1.926670     -0.369628
  C      -7.783311      2.055164      0.317514
  N      -7.688092      2.241461      1.625498
  C      -8.851461      2.280338      2.330211
  C      -1.940702     -0.520208      4.594888
  C      -1.435797     -1.092180      3.241868
  C      -2.516505     -1.924142      2.536394
  O      -2.376192     -1.939556      1.088860
  C      -2.956756     -0.981264      0.371088
  N      -3.567400      0.044421      0.944167
  C      -4.200940      0.926300      0.122921
  N      -4.304483      0.888638     -1.185060
  C      -3.662970     -0.162598     -1.797596
  C      -3.728864     -0.328084     -3.199534
  C      -3.088656     -1.407965     -3.772447
  C      -2.382681     -2.309112     -2.946505
  N      -2.298989     -2.193026     -1.629116
  C      -2.934488     -1.138719     -1.063569
  C      -5.779415      0.164927      6.603112
  C      -5.613427     -1.365740      6.745338
  C      -6.715997     -2.147628      6.053357
  O      -6.505571     -2.106875      4.613580
  C      -7.511555     -1.731048      3.812529
  N      -8.632944     -1.234935      4.293822
  C      -9.605004     -0.903700      3.402625
  N      -9.592199     -1.074606      2.097770
  C      -8.428349     -1.574496      1.582109
  C      -8.290654     -1.758469      0.185629
  C      -7.081437     -2.202190     -0.312018
  C      -6.015968     -2.447660      0.583802
  N      -6.106862     -2.296250      1.899833
  C      -7.304983     -1.890926      2.395168
  H      -5.110240      5.182688      3.697829
  H      -5.782296      3.568094      3.438942
  H      -6.545208      5.253477      5.887893
  H      -7.448375      5.210512      4.365996
  H      -8.436695      3.559459      5.981422
  H      -6.823947      2.813731      6.195080
  H     -12.042038      2.448097      4.384227
  H     -11.172273      1.891525     -0.139900
  H      -9.011951      1.785583     -1.450997
  H      -6.842485      2.012401     -0.241442
  H      -1.266979     -0.821510      5.415181
  H      -2.920865     -0.966205      4.816756
  H      -0.559269     -1.729149      3.426176
  H      -1.105636     -0.273588      2.589780
  H      -3.532418     -1.599305      2.797629
  H      -2.409996     -2.986188      2.794012
  H      -4.713661      1.735234      0.651367
  H      -4.288743      0.395356     -3.787979
  H      -3.118733     -1.579159     -4.848008
  H      -1.870829     -3.167809     -3.389620
  H      -6.398265      0.391542      5.725352
  H      -6.321132      0.555530      7.484297
  H      -4.633655     -1.674799      6.349299
  H      -5.631211     -1.656638      7.807257
  H      -7.712201     -1.745154      6.285369
  H      -6.679762     -3.211850      6.328962
  H     -10.492161     -0.432530      3.825809
  H      -9.141620     -1.529015     -0.458213
  H      -6.930372     -2.356505     -1.381524
  H      -5.045606     -2.780785      0.193114
  N      -4.914231      1.073441      3.706325
  N      -5.660866      0.488624      2.959375
  H      -5.199503      0.145835      2.090359
98
Coordinates from ORCA-job orca E -6532.348097222867
  N      -4.386492      3.720039      5.015464
  Mo     -3.807915      1.834532      4.971972
  N      -4.529512      0.901222      6.512759
  C      -3.768635      1.046861      7.760219
  C      -3.150185      2.437499      7.835312
  N      -2.433786      2.744557      6.563587
  C      -2.353721      4.203445      6.301723
  C      -3.695770      4.731719      5.816379
  C      -1.083701      2.113790      6.477069
  C      -0.888571      1.663518      5.026488
  N      -2.086370      0.914215      4.651855
  H      -3.515322      5.628172      5.197173
  H      -4.326579      5.063853      6.662729
  H      -1.604102      4.348860      5.510676
  H      -2.002008      4.736400      7.201316
  H       0.023099      1.056003      4.914078
  H      -0.771217      2.544762      4.375559
  H      -1.058184      1.246318      7.149914
  H      -0.306182      2.826262      6.798076
  H      -4.421498      0.898802      8.636536
  H      -2.978799      0.275008      7.815521
  H      -3.949110      3.183654      7.945082
  H      -2.469645      2.528677      8.698855
  C      -5.451839      4.286015      4.173891
  C      -6.724056      4.633616      4.960403
  C      -7.438229      3.379318      5.450701
  O      -7.633564      2.496251      4.317717
  C      -8.833315      2.478503      3.717016
  N      -9.932015      2.605321      4.428639
  C     -11.107206      2.469914      3.764946
  N     -11.291903      2.244355      2.478593
  C     -10.159304      2.155189      1.725068
  C     -10.243762      1.938381      0.331024
  C      -9.075901      1.851475     -0.389731
  C      -7.839283      1.997252      0.271783
  N      -7.711135      2.214540      1.575441
  C      -8.860636      2.272100      2.299193
  C      -1.955563     -0.537574      4.595043
  C      -1.471608     -1.086850      3.223753
  C      -2.566639     -1.897451      2.517076
  O      -2.426342     -1.902921      1.070289
  C      -3.014115     -0.944424      0.361100
  N      -3.649728      0.058490      0.943451
  C      -4.283185      0.951766      0.133513
  N      -4.368416      0.944546     -1.175692
  C      -3.710877     -0.087565     -1.797966
  C      -3.765456     -0.222357     -3.203060
  C      -3.114444     -1.287496     -3.788988
  C      -2.408146     -2.203015     -2.971711
  N      -2.332744     -2.112429     -1.651186
  C      -2.979247     -1.073643     -1.074175
  C      -5.796568      0.182419      6.618153
  C      -5.629261     -1.344638      6.783137
  C      -6.715185     -2.140123      6.080305
  O      -6.476040     -2.129980      4.644119
  C      -7.460796     -1.753192      3.823508
  N      -8.572077     -1.222049      4.289826
  C      -9.528705     -0.880658      3.385768
  N      -9.506833     -1.063537      2.081121
  C      -8.353862     -1.605597      1.579593
  C      -8.213495     -1.812725      0.185585
  C      -7.023961     -2.310469     -0.295297
  C      -5.977729     -2.585676      0.614368
  N      -6.067019     -2.407831      1.927422
  C      -7.248233     -1.948193      2.407652
  H      -5.050640      5.180716      3.667804
  H      -5.723895      3.563911      3.393708
  H      -6.491947      5.263804      5.834508
  H      -7.395592      5.219882      4.313049
  H      -8.402438      3.589634      5.930642
  H      -6.798750      2.822331      6.150243
  H     -12.000032      2.554356      4.382887
  H     -11.224880      1.839137     -0.129532
  H      -9.094601      1.681999     -1.468271
  H      -6.912942      1.941232     -0.303385
  H      -1.273685     -0.859357      5.400448
  H      -2.938433     -0.979169      4.820009
  H      -0.595332     -1.730966      3.382736
  H      -1.147430     -0.256924      2.581976
  H      -3.575465     -1.559003      2.784062
  H      -2.478232     -2.961655      2.768347
  H      -4.811970      1.740725      0.675752
  H      -4.327836      0.512179     -3.785116
  H      -3.138136     -1.437288     -4.868887
  H      -1.891084     -3.053179     -3.423680
  H      -6.393314      0.393302      5.721134
  H      -6.362338      0.584263      7.479164
  H      -4.642510     -1.656075      6.404586
  H      -5.662790     -1.620864      7.848973
  H      -7.715897     -1.735098      6.283301
  H      -6.681995     -3.197420      6.377803
  H     -10.414871     -0.383588      3.802584
  H      -9.050626     -1.563045     -0.469211
  H      -6.874092     -2.486890     -1.361343
  H      -5.024116     -2.966438      0.237545
  N      -4.902243      1.042591      3.732133
  N      -5.629679      0.422016      2.996672
  H      -5.138657      0.062078      2.137489
98
Coordinates from ORCA-job orca E -6532.351462647764
  N      -4.328523      3.736567      4.994820
  Mo     -3.794203      1.842974      4.990258
  N      -4.542261      0.917152      6.528748
  C      -3.798671      1.055162      7.786845
  C      -3.163197      2.438754      7.866742
  N      -2.431955      2.732836      6.600215
  C      -2.326755      4.190273      6.336069
  C      -3.652920      4.734770      5.825123
  C      -1.090599      2.083478      6.528617
  C      -0.875858      1.646349      5.076195
  N      -2.077160      0.919181      4.669555
  H      -3.452041      5.639031      5.222373
  H      -4.301735      5.059760      6.660518
  H      -1.560209      4.324822      5.559423
  H      -1.985514      4.720743      7.241297
  H       0.028250      1.026166      4.975917
  H      -0.733900      2.532325      4.436459
  H      -1.089921      1.206844      7.190615
  H      -0.307328      2.779417      6.872010
  H      -4.466326      0.915443      8.653560
  H      -3.018974      0.274232      7.855126
  H      -3.955401      3.193432      7.966367
  H      -2.489097      2.526788      8.735936
  C      -5.386865      4.310971      4.147637
  C      -6.666944      4.659582      4.921621
  C      -7.391475      3.409057      5.405776
  O      -7.589338      2.533045      4.268243
  C      -8.803154      2.490043      3.693981
  N      -9.892371      2.604270      4.429820
  C     -11.086727      2.434394      3.798459
  N     -11.297806      2.182068      2.521998
  C     -10.177761      2.106546      1.741236
  C     -10.297740      1.863386      0.353418
  C      -9.144745      1.795184     -0.396698
  C      -7.892084      1.984274      0.230609
  N      -7.731062      2.218680      1.526601
  C      -8.862306      2.261107      2.278862
  C      -1.962675     -0.532560      4.582864
  C      -1.510683     -1.064576      3.195050
  C      -2.622856     -1.864263      2.505090
  O      -2.483423     -1.880570      1.058833
  C      -3.071083     -0.930816      0.338788
  N      -3.727763      0.068631      0.905829
  C      -4.337061      0.969879      0.084981
  N      -4.380592      0.970497     -1.225107
  C      -3.712798     -0.064942     -1.832932
  C      -3.728628     -0.193949     -3.240314
  C      -3.070953     -1.262726     -3.812538
  C      -2.396648     -2.187646     -2.979989
  N      -2.353778     -2.100196     -1.657869
  C      -3.006426     -1.057895     -1.094305
  C      -5.810298      0.197358      6.616004
  C      -5.639302     -1.328520      6.791750
  C      -6.723526     -2.135640      6.099483
  O      -6.487508     -2.132805      4.662611
  C      -7.477177     -1.771484      3.836964
  N      -8.601112     -1.259471      4.296203
  C      -9.556113     -0.929313      3.386366
  N      -9.518637     -1.097667      2.081233
  C      -8.354730     -1.621485      1.587350
  C      -8.198760     -1.815034      0.193880
  C      -6.999298     -2.303095     -0.278936
  C      -5.961388     -2.583906      0.639222
  N      -6.064997     -2.415294      1.952584
  C      -7.253749     -1.962085      2.423642
  H      -4.978641      5.212197      3.655844
  H      -5.648872      3.594422      3.357613
  H      -6.438729      5.290164      5.795474
  H      -7.331976      5.247211      4.268973
  H      -8.355372      3.625327      5.881915
  H      -6.759550      2.847830      6.107692
  H     -11.972231      2.510509      4.436791
  H     -11.292932      1.730792     -0.080607
  H      -9.187680      1.608272     -1.471165
  H      -6.977827      1.945592     -0.369043
  H      -1.268156     -0.874059      5.368858
  H      -2.945270     -0.969507      4.819980
  H      -0.633727     -1.712584      3.326745
  H      -1.198891     -0.227203      2.556423
  H      -3.623892     -1.510630      2.776591
  H      -2.550939     -2.927425      2.764329
  H      -4.875720      1.758720      0.619290
  H      -4.266710      0.548009     -3.834164
  H      -3.066364     -1.408226     -4.894005
  H      -1.877291     -3.042057     -3.419995
  H      -6.390583      0.402194      5.707628
  H      -6.392444      0.600033      7.465100
  H      -4.654658     -1.638643      6.409862
  H      -5.664985     -1.596870      7.859658
  H      -7.726068     -1.739581      6.304174
  H      -6.679717     -3.190536      6.404059
  H     -10.454780     -0.458026      3.799693
  H      -9.030349     -1.565048     -0.467297
  H      -6.836613     -2.469703     -1.344548
  H      -5.001377     -2.960206      0.269465
  N      -4.876876      1.055023      3.731798
  N      -5.581348      0.410506      2.991447
  H      -5.061868      0.058391      2.138203
98
Coordinates from ORCA-job orca E -6532.354499422567
  N      -4.298397      3.750345      4.989945
  Mo     -3.800680      1.853058      5.008248
  N      -4.554771      0.923630      6.546268
  C      -3.818327      1.055148      7.807995
  C      -3.176110      2.435164      7.893249
  N      -2.443499      2.726791      6.628482
  C      -2.325657      4.184145      6.368661
  C      -3.641905      4.736670      5.846802
  C      -1.106927      2.070178      6.557631
  C      -0.879419      1.652833      5.101463
  N      -2.080056      0.939508      4.671866
  H      -3.433787      5.651314      5.263759
  H      -4.303443      5.045896      6.677771
  H      -1.551138      4.315358      5.601011
  H      -1.991335      4.710537      7.278533
  H       0.020958      1.026879      5.004155
  H      -0.723868      2.545306      4.475093
  H      -1.118432      1.182505      7.203929
  H      -0.322446      2.754080      6.920524
  H      -4.492385      0.916712      8.669524
  H      -3.043152      0.270299      7.880106
  H      -3.965438      3.192079      7.993792
  H      -2.502068      2.520785      8.761729
  C      -5.358863      4.325436      4.146908
  C      -6.647774      4.659062      4.914430
  C      -7.376702      3.405240      5.383887
  O      -7.581693      2.546077      4.232233
  C      -8.805344      2.492532      3.681325
  N      -9.882561      2.604017      4.437018
  C     -11.084664      2.438360      3.828732
  N     -11.313076      2.191441      2.555811
  C     -10.205806      2.118963      1.754224
  C     -10.346631      1.889523      0.367078
  C      -9.208236      1.833313     -0.406900
  C      -7.947825      2.022945      0.199571
  N      -7.769048      2.239696      1.493743
  C      -8.885495      2.269669      2.265642
  C      -1.965928     -0.510149      4.554232
  C      -1.542370     -1.027788      3.152591
  C      -2.659585     -1.841211      2.490864
  O      -2.525713     -1.879713      1.044571
  C      -3.119047     -0.949665      0.304482
  N      -3.799810      0.050553      0.844273
  C      -4.383819      0.951927      0.003660
  N      -4.377439      0.949263     -1.306661
  C      -3.697436     -0.094314     -1.888598
  C      -3.662323     -0.226850     -3.295894
  C      -2.994561     -1.302833     -3.842275
  C      -2.361681     -2.232174     -2.985167
  N      -2.360804     -2.138160     -1.663345
  C      -3.021891     -1.087744     -1.124761
  C      -5.813866      0.189916      6.625149
  C      -5.624528     -1.334148      6.803746
  C      -6.704354     -2.153703      6.120173
  O      -6.472198     -2.146024      4.682760
  C      -7.462929     -1.784695      3.858155
  N      -8.590380     -1.278307      4.317915
  C      -9.543755     -0.946523      3.408976
  N      -9.501780     -1.102102      2.102973
  C      -8.335427     -1.620481      1.609073
  C      -8.175580     -1.803961      0.215457
  C      -6.975727     -2.295102     -0.256746
  C      -5.942891     -2.589485      0.662725
  N      -6.049887     -2.427402      1.976848
  C      -7.237359     -1.969035      2.446206
  H      -4.957982      5.237119      3.668553
  H      -5.605301      3.615776      3.346938
  H      -6.427427      5.286288      5.792833
  H      -7.310144      5.247939      4.260439
  H      -8.339728      3.622516      5.860370
  H      -6.750998      2.831778      6.082181
  H     -11.959153      2.517681      4.484012
  H     -11.345448      1.761456     -0.048226
  H      -9.265877      1.659577     -1.481106
  H      -7.044480      1.999465     -0.418930
  H      -1.251687     -0.859458      5.317762
  H      -2.939897     -0.954920      4.810468
  H      -0.654480     -1.664154      3.258278
  H      -1.258721     -0.183755      2.510794
  H      -3.656992     -1.486129      2.766537
  H      -2.587701     -2.899662      2.766984
  H      -4.931768      1.747065      0.520395
  H      -4.168459      0.518824     -3.908041
  H      -2.951193     -1.449835     -4.921968
  H      -1.838241     -3.094409     -3.403555
  H      -6.386978      0.386886      5.711947
  H      -6.408043      0.584796      7.468784
  H      -4.640869     -1.632664      6.412054
  H      -5.635742     -1.601495      7.871831
  H      -7.710122     -1.770995      6.330374
  H      -6.646613     -3.208506      6.423672
  H     -10.446268     -0.485993      3.825287
  H      -9.003722     -1.546606     -0.446308
  H      -6.809886     -2.455069     -1.322725
  H      -4.983903     -2.971469      0.293377
  N      -4.876605      1.070736      3.731886
  N      -5.566036      0.415369      2.985948
  H      -5.019543      0.080689      2.131403
98
Coordinates from ORCA-job orca E -6532.357164324309
  N      -4.245438      3.771458      4.981393
  Mo     -3.799784      1.864385      5.032317
  N      -4.579222      0.943067      6.564730
  C      -3.858526      1.068428      7.836722
  C      -3.199882      2.439708      7.927146
  N      -2.451227      2.720250      6.668645
  C      -2.306848      4.176712      6.408665
  C      -3.605316      4.745716      5.862957
  C      -1.122115      2.046023      6.612880
  C      -0.874791      1.644364      5.156990
  N      -2.076466      0.950127      4.697026
  H      -3.378929      5.666478      5.295888
  H      -4.284057      5.048074      6.683193
  H      -1.516369      4.295166      5.654390
  H      -1.981385      4.699325      7.323939
  H       0.018442      1.006845      5.069517
  H      -0.694096      2.541917      4.543807
  H      -1.157439      1.149076      7.246185
  H      -0.334497      2.713556      7.000925
  H      -4.547886      0.940251      8.688143
  H      -3.093923      0.273891      7.923619
  H      -3.982186      3.206133      8.018610
  H      -2.532332      2.519781      8.801808
  C      -5.299100      4.352586      4.131862
  C      -6.595116      4.685927      4.887243
  C      -7.329147      3.436271      5.351766
  O      -7.540742      2.582539      4.195044
  C      -8.775903      2.500350      3.674443
  N      -9.838214      2.612257      4.448869
  C     -11.054543      2.419177      3.870150
  N     -11.310470      2.140676      2.608109
  C     -10.218919      2.068233      1.785255
  C     -10.391093      1.811199      0.403944
  C      -9.273228      1.766005     -0.400235
  C      -7.998142      1.991600      0.172394
  N      -7.790017      2.229412      1.461126
  C      -8.886469      2.251095      2.262283
  C      -1.966513     -0.498738      4.543895
  C      -1.561132     -0.991151      3.126983
  C      -2.679828     -1.812144      2.477766
  O      -2.551388     -1.865979      1.029804
  C      -3.153782     -0.953115      0.277985
  N      -3.860909      0.038304      0.800388
  C      -4.433656      0.937583     -0.051654
  N      -4.392422      0.937638     -1.362186
  C      -3.696861     -0.103727     -1.927586
  C      -3.627148     -0.231779     -3.333961
  C      -2.944339     -1.304790     -3.866651
  C      -2.332007     -2.236798     -2.996443
  N      -2.360544     -2.144583     -1.674256
  C      -3.034771     -1.094786     -1.149330
  C      -5.834450      0.199211      6.621015
  C      -5.631218     -1.321536      6.801423
  C      -6.698120     -2.152980      6.111342
  O      -6.464905     -2.142848      4.672140
  C      -7.460422     -1.785969      3.852157
  N      -8.591878     -1.295021      4.319766
  C      -9.554801     -0.968552      3.418563
  N      -9.516289     -1.112537      2.110638
  C      -8.346654     -1.614484      1.608376
  C      -8.193688     -1.789322      0.212878
  C      -6.997894     -2.276754     -0.269139
  C      -5.960364     -2.576374      0.642615
  N      -6.058220     -2.417488      1.957260
  C      -7.241793     -1.961350      2.437450
  H      -4.895654      5.266919      3.661210
  H      -5.536324      3.646623      3.326478
  H      -6.381464      5.314927      5.766210
  H      -7.251816      5.273649      4.226790
  H      -8.292011      3.656760      5.827707
  H      -6.709193      2.856113      6.048947
  H     -11.915203      2.503524      4.542927
  H     -11.400572      1.655947      0.017409
  H      -9.352883      1.572736     -1.470838
  H      -7.113035      1.977117     -0.472801
  H      -1.239157     -0.861725      5.290286
  H      -2.935579     -0.952477      4.807030
  H      -0.661882     -1.616830      3.207106
  H      -1.300486     -0.133120      2.491893
  H      -3.677558     -1.457606      2.754167
  H      -2.608690     -2.868500      2.764352
  H      -4.995603      1.730313      0.453471
  H      -4.120163      0.516583     -3.954589
  H      -2.873615     -1.447224     -4.945228
  H      -1.799536     -3.099292     -3.404293
  H      -6.390455      0.388492      5.694855
  H      -6.449986      0.589610      7.452270
  H      -4.642119     -1.606672      6.410441
  H      -5.641193     -1.590432      7.869294
  H      -7.710513     -1.784223      6.317207
  H      -6.627495     -3.207610      6.413369
  H     -10.462997     -0.530670      3.843364
  H      -9.026343     -1.531642     -0.441848
  H      -6.838466     -2.432271     -1.337049
  H      -5.006219     -2.960486      0.264931
  N      -4.861530      1.086842      3.746405
  N      -5.526990      0.419615      2.995045
  H      -4.952977      0.101444      2.138362
98
Coordinates from ORCA-job orca E -6532.359670014484
  N      -4.202404      3.779231      4.964111
  Mo     -3.799053      1.863275      5.045021
  N      -4.598169      0.949931      6.574601
  C      -3.892266      1.074353      7.854766
  C      -3.221916      2.438236      7.947151
  N      -2.459491      2.708337      6.695716
  C      -2.295673      4.163172      6.436330
  C      -3.580207      4.743205      5.869598
  C      -1.137120      2.020179      6.654891
  C      -0.870957      1.630525      5.199975
  N      -2.071151      0.951362      4.713875
  H      -3.339768      5.670189      5.318232
  H      -4.275650      5.036533      6.679190
  H      -1.492399      4.272434      5.694057
  H      -1.979508      4.683141      7.356204
  H       0.016129      0.983665      5.122048
  H      -0.668284      2.531251      4.597984
  H      -1.193918      1.115972      7.276462
  H      -0.349061      2.673865      7.065839
  H      -4.594559      0.957135      8.697455
  H      -3.137029      0.272463      7.957009
  H      -3.997994      3.212567      8.029394
  H      -2.561495      2.514185      8.827695
  C      -5.247362      4.365902      4.110001
  C      -6.550966      4.698363      4.852240
  C      -7.297977      3.454105      5.304922
  O      -7.516313      2.613502      4.139178
  C      -8.758170      2.519222      3.641079
  N      -9.808868      2.634440      4.429359
  C     -11.032129      2.436560      3.871024
  N     -11.305953      2.147617      2.615461
  C     -10.226448      2.070441      1.778540
  C     -10.417112      1.805562      0.401192
  C      -9.315618      1.760214     -0.422286
  C      -8.031312      1.989251      0.130204
  N      -7.806523      2.230159      1.413806
  C      -8.889021      2.257205      2.231467
  C      -1.967941     -0.494530      4.534267
  C      -1.586049     -0.952453      3.101031
  C      -2.708261     -1.775512      2.463786
  O      -2.584819     -1.829232      1.016701
  C      -3.189461     -0.919221      0.266402
  N      -3.910333      0.067361      0.782329
  C      -4.474024      0.968002     -0.075305
  N      -4.411627      0.970232     -1.385679
  C      -3.710417     -0.069405     -1.945425
  C      -3.622742     -0.196181     -3.352827
  C      -2.937215     -1.270727     -3.878414
  C      -2.340409     -2.206266     -3.000279
  N      -2.384469     -2.113646     -1.678245
  C      -3.059832     -1.060976     -1.160279
  C      -5.843294      0.190007      6.619949
  C      -5.623262     -1.326496      6.815884
  C      -6.686138     -2.170547      6.137652
  O      -6.453000     -2.164508      4.698469
  C      -7.445709     -1.808421      3.875731
  N      -8.575790     -1.309581      4.340316
  C      -9.537471     -0.987957      3.436787
  N      -9.499656     -1.140266      2.129221
  C      -8.330877     -1.651421      1.630480
  C      -8.179668     -1.842785      0.236639
  C      -6.989181     -2.349223     -0.238125
  C      -5.955185     -2.650046      0.677980
  N      -6.049689     -2.471633      1.990167
  C      -7.228042     -1.997039      2.463203
  H      -4.839940      5.283937      3.649161
  H      -5.474150      3.664899      3.295654
  H      -6.345491      5.324744      5.735324
  H      -7.197815      5.290101      4.185297
  H      -8.261306      3.681793      5.777413
  H      -6.689684      2.858622      6.000501
  H     -11.880184      2.526417      4.557395
  H     -11.431460      1.645785      0.033617
  H      -9.411914      1.561972     -1.490325
  H      -7.159367      1.974664     -0.530419
  H      -1.229751     -0.874360      5.262067
  H      -2.932872     -0.954535      4.803701
  H      -0.675644     -1.565708      3.146162
  H      -1.353730     -0.076476      2.479030
  H      -3.706714     -1.422461      2.743823
  H      -2.637777     -2.831564      2.753684
  H      -5.049058      1.757417      0.418783
  H      -4.106154      0.554169     -3.979873
  H      -2.853295     -1.412213     -4.957287
  H      -1.808784     -3.072546     -3.402202
  H      -6.388359      0.364967      5.684085
  H      -6.475622      0.578168      7.440236
  H      -4.633831     -1.605899      6.421100
  H      -5.623336     -1.585682      7.886195
  H      -7.700339     -1.806576      6.343703
  H      -6.609270     -3.223593      6.443514
  H     -10.445803     -0.547818      3.860245
  H      -9.011135     -1.585165     -0.420871
  H      -6.831756     -2.519868     -1.303894
  H      -5.007671     -3.052742      0.306146
  N      -4.850697      1.086009      3.739925
  N      -5.509372      0.420700      2.978743
  H      -4.926519      0.111991      2.111023
98
Coordinates from ORCA-job orca E -6532.361995332864
  N      -4.163866      3.793132      4.955850
  Mo     -3.802010      1.868298      5.061825
  N      -4.619872      0.962466      6.585704
  C      -3.929092      1.083939      7.874758
  C      -3.246632      2.440413      7.970485
  N      -2.471089      2.702137      6.725767
  C      -2.289449      4.155956      6.470390
  C      -3.560801      4.745397      5.886768
  C      -1.155781      2.000605      6.697013
  C      -0.871880      1.624837      5.242881
  N      -2.069307      0.959861      4.731422
  H      -3.309697      5.679632      5.353480
  H      -4.272148      5.026086      6.686437
  H      -1.475311      4.258816      5.739725
  H      -1.982183      4.671869      7.395372
  H       0.009869      0.969502      5.172432
  H      -0.649348      2.528681      4.652880
  H      -1.233704      1.088827      7.304691
  H      -0.368477      2.639934      7.130951
  H      -4.644224      0.978419      8.708312
  H      -3.185060      0.273439      7.992009
  H      -4.015748      3.222489      8.044933
  H      -2.593695      2.510889      8.856931
  C      -5.201748      4.387520      4.099791
  C      -6.510635      4.714987      4.834890
  C      -7.266276      3.471494      5.272156
  O      -7.494462      2.650294      4.093152
  C      -8.743547      2.537075      3.622115
  N      -9.781630      2.645789      4.427497
  C     -11.012041      2.435411      3.890521
  N     -11.305259      2.138692      2.640752
  C     -10.238933      2.066219      1.787327
  C     -10.448890      1.794558      0.414275
  C      -9.362841      1.758033     -0.428401
  C      -8.070979      1.997385      0.101719
  N      -7.827042      2.243309      1.381165
  C      -8.896158      2.265635      2.216864
  C      -1.966167     -0.482686      4.522786
  C      -1.603294     -0.909351      3.074370
  C      -2.715860     -1.752610      2.451215
  O      -2.598085     -1.817171      1.003461
  C      -3.213597     -0.922845      0.244901
  N      -3.953425      0.057049      0.747745
  C      -4.515960      0.948758     -0.121635
  N      -4.432464      0.948179     -1.430826
  C      -3.716639     -0.086468     -1.978087
  C      -3.606619     -0.213136     -3.383633
  C      -2.904978     -1.282842     -3.896388
  C      -2.315790     -2.214463     -3.006611
  N      -2.380123     -2.120573     -1.685679
  C      -3.069670     -1.070785     -1.180880
  C      -5.853737      0.183174      6.614843
  C      -5.611081     -1.328009      6.817465
  C      -6.664063     -2.188842      6.144881
  O      -6.437446     -2.180969      4.703921
  C      -7.435647     -1.827118      3.886921
  N      -8.564224     -1.332234      4.358647
  C      -9.532139     -1.011836      3.461276
  N      -9.499171     -1.157428      2.152745
  C      -8.331157     -1.663216      1.647108
  C      -8.185590     -1.848792      0.251756
  C      -6.997732     -2.354082     -0.230963
  C      -5.960250     -2.660263      0.678672
  N      -6.049028     -2.486325      1.991674
  C      -7.224562     -2.011013      2.472802
  H      -4.790744      5.310209      3.651630
  H      -5.419688      3.695356      3.274903
  H      -6.311952      5.334257      5.725085
  H      -7.149960      5.314383      4.166732
  H      -8.227465      3.700720      5.748420
  H      -6.664126      2.858360      5.959106
  H     -11.847505      2.522454      4.591919
  H     -11.468145      1.623996      0.066355
  H      -9.475174      1.555792     -1.494385
  H      -7.212336      1.988835     -0.575418
  H      -1.215577     -0.873740      5.230295
  H      -2.923538     -0.953497      4.800059
  H      -0.675922     -1.498192      3.087125
  H      -1.410711     -0.017821      2.462681
  H      -3.718394     -1.413017      2.732794
  H      -2.630249     -2.804591      2.750754
  H      -5.103027      1.739262      0.355791
  H      -4.086380      0.534075     -4.019599
  H      -2.802159     -1.423700     -4.973529
  H      -1.773052     -3.078250     -3.399055
  H      -6.386683      0.345435      5.669388
  H      -6.505311      0.563700      7.423747
  H      -4.618979     -1.593479      6.418592
  H      -5.602129     -1.583254      7.888706
  H      -7.682990     -1.838012      6.353096
  H      -6.571840     -3.240931      6.450106
  H     -10.440879     -0.574246      3.889908
  H      -9.020004     -1.587231     -0.400330
  H      -6.844605     -2.520053     -1.298391
  H      -5.014484     -3.063262      0.299893
  N      -4.843664      1.095943      3.743992
  N      -5.497310      0.439946      2.973178
  H      -4.915651      0.148846      2.086993
98
Coordinates from ORCA-job orca E -6532.364193131399
  N      -4.120177      3.797690      4.941447
  Mo     -3.794896      1.864508      5.081235
  N      -4.637022      0.975111      6.599463
  C      -3.966960      1.098817      7.899492
  C      -3.271956      2.448124      7.994323
  N      -2.479189      2.695139      6.757607
  C      -2.280616      4.146661      6.500242
  C      -3.537953      4.742044      5.894607
  C      -1.171536      1.978847      6.747347
  C      -0.866430      1.608734      5.296639
  N      -2.060127      0.957336      4.759579
  H      -3.275625      5.680581      5.375295
  H      -4.266954      5.014202      6.680496
  H      -1.454279      4.241236      5.782657
  H      -1.985018      4.663205      7.428492
  H       0.010005      0.944712      5.238071
  H      -0.623482      2.512943      4.715497
  H      -1.272864      1.063511      7.345519
  H      -0.386273      2.605649      7.201739
  H      -4.697656      1.010712      8.721640
  H      -3.236705      0.279097      8.038006
  H      -4.033412      3.238653      8.054572
  H      -2.630164      2.516923      8.888831
  C      -5.146581      4.400486      4.078104
  C      -6.462324      4.727265      4.800874
  C      -7.230996      3.486214      5.220899
  O      -7.466004      2.685058      4.029880
  C      -8.719903      2.551090      3.581396
  N      -9.747065      2.655149      4.401184
  C     -10.982645      2.430743      3.881735
  N     -11.291983      2.122222      2.638215
  C     -10.237589      2.050990      1.771039
  C     -10.463539      1.766337      0.403649
  C      -9.388150      1.734535     -0.452581
  C      -8.091779      1.986544      0.057237
  N      -7.830624      2.244950      1.332256
  C      -8.890365      2.265774      2.182269
  C      -1.963946     -0.481805      4.519733
  C      -1.627454     -0.872006      3.053820
  C      -2.737151     -1.724855      2.440414
  O      -2.627333     -1.793396      0.991535
  C      -3.249085     -0.905307      0.232108
  N      -3.996428      0.069744      0.733952
  C      -4.559754      0.958633     -0.136506
  N      -4.468386      0.961882     -1.444112
  C      -3.745201     -0.067313     -1.991320
  C      -3.624790     -0.187411     -3.395003
  C      -2.915969     -1.252443     -3.907540
  C      -2.331698     -2.186775     -3.018868
  N      -2.404942     -2.098616     -1.698447
  C      -3.099995     -1.051925     -1.194421
  C      -5.860326      0.177984      6.611054
  C      -5.598191     -1.326767      6.825781
  C      -6.641541     -2.204788      6.160614
  O      -6.420776     -2.200430      4.718433
  C      -7.422814     -1.847177      3.906128
  N      -8.547868     -1.351038      4.382670
  C      -9.520661     -1.031324      3.489338
  N      -9.492696     -1.176767      2.180603
  C      -8.327765     -1.683752      1.670125
  C      -8.188910     -1.871128      0.273922
  C      -7.006488     -2.382617     -0.213810
  C      -5.966689     -2.693098      0.691638
  N      -6.048421     -2.516944      2.004417
  C      -7.218779     -2.033787      2.490683
  H      -4.726164      5.324734      3.642972
  H      -5.355697      3.717774      3.244532
  H      -6.272085      5.338633      5.697736
  H      -7.090142      5.335455      4.130439
  H      -8.190336      3.717914      5.699029
  H      -6.636594      2.857350      5.900146
  H     -11.807939      2.514853      4.594357
  H     -11.486000      1.584476      0.071501
  H      -9.514308      1.524051     -1.515761
  H      -7.243050      1.981106     -0.632220
  H      -1.203978     -0.892018      5.204878
  H      -2.917500     -0.957298      4.802067
  H      -0.687612     -1.440906      3.028150
  H      -1.472295      0.037500      2.458326
  H      -3.741031     -1.393019      2.726729
  H      -2.640990     -2.775039      2.744098
  H      -5.156074      1.745481      0.334663
  H      -4.101102      0.560725     -4.030215
  H      -2.803451     -1.387782     -4.983593
  H      -1.783940     -3.046947     -3.412824
  H      -6.378562      0.325426      5.654915
  H      -6.532278      0.553914      7.404987
  H      -4.603468     -1.581832      6.426133
  H      -5.583721     -1.574053      7.898894
  H      -7.663996     -1.864134      6.369213
  H      -6.535605     -3.254271      6.469437
  H     -10.429676     -0.597814      3.920222
  H      -9.025415     -1.606358     -0.374226
  H      -6.859140     -2.550679     -1.281809
  H      -5.025218     -3.102246      0.309462
  N      -4.821579      1.092027      3.753491
  N      -5.466866      0.443572      2.973361
  H      -4.890366      0.165259      2.072882
98
Coordinates from ORCA-job orca E -6532.366225491473
  N      -4.080894      3.806405      4.939608
  Mo     -3.790305      1.865818      5.103200
  N      -4.655489      0.987009      6.613542
  C      -4.005681      1.109136      7.923737
  C      -3.297556      2.451562      8.022369
  N      -2.488964      2.687931      6.794071
  C      -2.273441      4.137421      6.538768
  C      -3.517669      4.740484      5.915268
  C      -1.189789      1.957441      6.798842
  C      -0.864957      1.597281      5.350014
  N      -2.054371      0.961034      4.786296
  H      -3.246022      5.685074      5.411790
  H      -4.261954      5.002250      6.689887
  H      -1.436011      4.225287      5.833394
  H      -1.987957      4.652225      7.471190
  H       0.005940      0.925245      5.300629
  H      -0.602928      2.503946      4.780483
  H      -1.313448      1.037122      7.385090
  H      -0.406300      2.571044      7.273806
  H      -4.751428      1.035620      8.734064
  H      -3.289629      0.280214      8.079603
  H      -4.050948      3.250183      8.071704
  H      -2.665937      2.516121      8.924449
  C      -5.096319      4.421016      4.071513
  C      -6.420013      4.747176      4.780315
  C      -7.202882      3.508210      5.178953
  O      -7.443662      2.729757      3.974625
  C      -8.701800      2.574144      3.547320
  N      -9.718204      2.668989      4.383169
  C     -10.958758      2.427300      3.883131
  N     -11.283356      2.108688      2.646279
  C     -10.241329      2.043187      1.762935
  C     -10.484387      1.744749      0.401661
  C      -9.419460      1.717698     -0.468242
  C      -8.119170      1.985555      0.021431
  N      -7.841476      2.256422      1.290242
  C      -8.890310      2.275430      2.153813
  C      -1.960748     -0.472261      4.510714
  C      -1.644064     -0.823931      3.030129
  C      -2.739754     -1.699823      2.426086
  O      -2.632329     -1.773776      0.976829
  C      -3.263802     -0.896926      0.212674
  N      -4.022440      0.073056      0.708628
  C      -4.598417      0.950419     -0.165112
  N      -4.508523      0.947574     -1.472738
  C      -3.772877     -0.075941     -2.015684
  C      -3.651823     -0.201243     -3.419647
  C      -2.929807     -1.260164     -3.926744
  C      -2.334474     -2.183724     -3.032663
  N      -2.408993     -2.090940     -1.711958
  C      -3.115361     -1.049672     -1.213572
  C      -5.866308      0.170576      6.605855
  C      -5.584588     -1.328856      6.826977
  C      -6.618969     -2.222103      6.168512
  O      -6.404859     -2.217114      4.725332
  C      -7.410591     -1.862897      3.917379
  N      -8.533813     -1.367405      4.398059
  C      -9.510443     -1.048056      3.508537
  N      -9.486155     -1.190296      2.199678
  C      -8.323187     -1.696469      1.684576
  C      -8.189216     -1.881632      0.287583
  C      -7.009342     -2.395387     -0.204545
  C      -5.967643     -2.710633      0.697641
  N      -6.044874     -2.536704      2.010917
  C      -7.211943     -2.049318      2.501016
  H      -4.666715      5.348029      3.650339
  H      -5.297917      3.748307      3.227707
  H      -6.238809      5.348986      5.684997
  H      -7.035666      5.365667      4.108337
  H      -8.160420      3.742408      5.658773
  H      -6.616741      2.863244      5.850139
  H     -11.774654      2.503883      4.607947
  H     -11.509885      1.548837      0.085553
  H      -9.559322      1.497715     -1.527706
  H      -7.279041      1.982659     -0.678851
  H      -1.190754     -0.898806      5.174204
  H      -2.909571     -0.956938      4.795043
  H      -0.687935     -1.362203      2.969636
  H      -1.533840      0.102731      2.450579
  H      -3.748596     -1.386138      2.714022
  H      -2.622262     -2.746065      2.735089
  H      -5.203029      1.734761      0.300831
  H      -4.137439      0.537582     -4.059857
  H      -2.815105     -1.399197     -5.002919
  H      -1.776517     -3.038652     -3.423383
  H      -6.370230      0.308037      5.640741
  H      -6.557626      0.537254      7.387030
  H      -4.588481     -1.572595      6.424403
  H      -5.563059     -1.571309      7.900991
  H      -7.644134     -1.893473      6.381025
  H      -6.497994     -3.269459      6.477608
  H     -10.419606     -0.620267      3.941908
  H      -9.027440     -1.613485     -0.357268
  H      -6.865670     -2.562074     -1.273077
  H      -5.028501     -3.122352      0.312857
  N      -4.807070      1.097967      3.763498
  N      -5.445870      0.460823      2.970698
  H      -4.876967      0.198023      2.053562
98
Coordinates from ORCA-job orca E -6532.368083856293
  N      -4.042224      3.808373      4.936170
  Mo     -3.782552      1.862946      5.125507
  N      -4.671233      0.997705      6.629684
  C      -4.041826      1.121796      7.949238
  C      -3.320848      2.457609      8.048773
  N      -2.497206      2.680161      6.828145
  C      -2.265440      4.126738      6.570226
  C      -3.497245      4.735412      5.929324
  C      -1.206306      1.935807      6.848571
  C      -0.862051      1.580673      5.403174
  N      -2.047722      0.960121      4.815186
  H      -3.217915      5.684190      5.438224
  H      -4.254864      4.990048      6.693223
  H      -1.418218      4.205647      5.875837
  H      -1.988943      4.643148      7.504441
  H       0.002887      0.900422      5.364484
  H      -0.581807      2.487905      4.843241
  H      -1.350567      1.013201      7.426326
  H      -0.424159      2.537939      7.339900
  H      -4.802132      1.064404      8.747387
  H      -3.339354      0.285142      8.123472
  H      -4.066396      3.263953      8.085676
  H      -2.698657      2.521059      8.957305
  C      -5.046024      4.432863      4.061600
  C      -6.378390      4.760913      4.752952
  C      -7.176074      3.524973      5.129308
  O      -7.419717      2.768854      3.912201
  C      -8.681031      2.591866      3.503268
  N      -9.686447      2.683559      4.352813
  C     -10.930919      2.427498      3.871161
  N     -11.269264      2.096472      2.641796
  C     -10.239476      2.030387      1.744075
  C     -10.499054      1.716672      0.389492
  C      -9.443774      1.689004     -0.493345
  C      -8.140477      1.971332     -0.023627
  N      -7.847387      2.256646      1.238910
  C      -8.885596      2.277375      2.115340
  C      -1.959362     -0.465517      4.502072
  C      -1.670866     -0.777786      3.007275
  C      -2.753975     -1.676911      2.415865
  O      -2.652862     -1.754875      0.966212
  C      -3.294098     -0.886985      0.199973
  N      -4.060415      0.079298      0.693040
  C      -4.645801      0.950313     -0.180022
  N      -4.557695      0.945110     -1.487185
  C      -3.810903     -0.072385     -2.028382
  C      -3.685798     -0.196850     -3.431332
  C      -2.950514     -1.247697     -3.936962
  C      -2.347260     -2.164654     -3.042951
  N      -2.426246     -2.073290     -1.722689
  C      -3.144490     -1.039703     -1.225578
  C      -5.869149      0.162379      6.603658
  C      -5.568958     -1.331877      6.832188
  C      -6.594326     -2.241720      6.181197
  O      -6.387260     -2.239911      4.736956
  C      -7.396150     -1.883439      3.933224
  N      -8.515620     -1.384242      4.418556
  C      -9.494062     -1.059927      3.533112
  N      -9.472773     -1.195125      2.223804
  C      -8.313574     -1.704403      1.703671
  C      -8.183460     -1.882633      0.305632
  C      -7.007824     -2.401541     -0.191808
  C      -5.967296     -2.729527      0.706825
  N      -6.040861     -2.562333      2.021296
  C      -7.202734     -2.067885      2.515995
  H      -4.607038      5.361135      3.653131
  H      -5.239386      3.768065      3.209753
  H      -6.207370      5.354512      5.664722
  H      -6.980397      5.388707      4.077685
  H      -8.132685      3.762817      5.608761
  H      -6.599603      2.865346      5.795149
  H     -11.738016      2.502377      4.605545
  H     -11.526724      1.509809      0.088117
  H      -9.596599      1.458244     -1.548618
  H      -7.307843      1.967895     -0.733335
  H      -1.178039     -0.909516      5.140012
  H      -2.903502     -0.957144      4.790508
  H      -0.700266     -1.283172      2.908146
  H      -1.608721      0.164230      2.445155
  H      -3.766557     -1.381122      2.709257
  H      -2.613788     -2.719307      2.728501
  H      -5.257118      1.729152      0.287099
  H      -4.177663      0.536060     -4.072392
  H      -2.830921     -1.385166     -5.012347
  H      -1.778212     -3.012247     -3.433754
  H      -6.358860      0.290139      5.630314
  H      -6.579228      0.519962      7.372033
  H      -4.571267     -1.565427      6.427435
  H      -5.541205     -1.568214      7.907400
  H      -7.622642     -1.925898      6.397456
  H      -6.456960     -3.286132      6.493361
  H     -10.401677     -0.631448      3.970518
  H      -9.020650     -1.605035     -0.335984
  H      -6.867038     -2.562846     -1.261577
  H      -5.031441     -3.145716      0.318927
  N      -4.787740      1.097195      3.774354
  N      -5.416617      0.467987      2.968593
  H      -4.850564      0.220488      2.040842
98
Coordinates from ORCA-job orca E -6532.369778408630
  N      -4.006618      3.809759      4.937368
  Mo     -3.777720      1.859701      5.148750
  N      -4.690305      1.010008      6.647987
  C      -4.079141      1.136257      7.975485
  C      -3.343556      2.463957      8.075221
  N      -2.505303      2.671008      6.862014
  C      -2.254900      4.114121      6.600341
  C      -3.474795      4.730310      5.944200
  C      -1.224199      1.910700      6.898905
  C      -0.862319      1.558125      5.458110
  N      -2.045434      0.955301      4.846387
  H      -3.187607      5.682260      5.463411
  H      -4.242573      4.980742      6.699617
  H      -1.399105      4.181385      5.915057
  H      -1.984155      4.632263      7.535301
  H      -0.005113      0.867912      5.430539
  H      -0.561834      2.464679      4.907280
  H      -1.389890      0.987362      7.470023
  H      -0.441864      2.500657      7.404928
  H      -4.852877      1.095850      8.761871
  H      -3.390400      0.292043      8.167155
  H      -4.079878      3.279254      8.099881
  H      -2.729553      2.525549      8.989410
  C      -4.998222      4.443625      4.056094
  C      -6.338864      4.777685      4.728351
  C      -7.153562      3.547364      5.084775
  O      -7.400726      2.810539      3.856995
  C      -8.664508      2.609252      3.465774
  N      -9.661344      2.696768      4.326139
  C     -10.908821      2.424730      3.860905
  N     -11.257577      2.081603      2.638232
  C     -10.237152      2.015977      1.729065
  C     -10.509268      1.687094      0.380360
  C      -9.462545      1.656541     -0.513560
  C      -8.156659      1.951517     -0.060381
  N      -7.853048      2.252147      1.196169
  C      -8.881727      2.277402      2.082844
  C      -1.960581     -0.460855      4.492080
  C      -1.691743     -0.726774      2.985028
  C      -2.751441     -1.654877      2.397096
  O      -2.651932     -1.730538      0.947191
  C      -3.302474     -0.869015      0.182366
  N      -4.073021      0.094561      0.674956
  C      -4.676843      0.955107     -0.195976
  N      -4.601546      0.942358     -1.503948
  C      -3.846443     -0.069061     -2.045159
  C      -3.730319     -0.198551     -3.448595
  C      -2.985929     -1.242534     -3.955383
  C      -2.365434     -2.148284     -3.062381
  N      -2.436825     -2.052654     -1.741622
  C      -3.162832     -1.025408     -1.243167
  C      -5.875749      0.157928      6.604857
  C      -5.559769     -1.331649      6.838973
  C      -6.577024     -2.255549      6.194793
  O      -6.375343     -2.257967      4.749545
  C      -7.383984     -1.897473      3.947304
  N      -8.501622     -1.394905      4.434134
  C      -9.480137     -1.067053      3.550135
  N      -9.459748     -1.198811      2.240361
  C      -8.302510     -1.711310      1.718271
  C      -8.173760     -1.886602      0.319852
  C      -7.001467     -2.412076     -0.178823
  C      -5.963592     -2.750483      0.719098
  N      -6.035885     -2.586253      2.034189
  C      -7.193237     -2.083076      2.529738
  H      -4.549150      5.371052      3.656740
  H      -5.185299      3.783962      3.198918
  H      -6.178057      5.365466      5.645454
  H      -6.925538      5.413619      4.047516
  H      -8.109289      3.792089      5.562394
  H      -6.589211      2.873326      5.747517
  H     -11.709003      2.496649      4.603749
  H     -11.538105      1.469862      0.091515
  H      -9.625477      1.414074     -1.564690
  H      -7.329456      1.944450     -0.776912
  H      -1.170022     -0.922351      5.106313
  H      -2.900777     -0.962232      4.778450
  H      -0.704050     -1.189488      2.851332
  H      -1.681578      0.230912      2.445565
  H      -3.771429     -1.385875      2.692527
  H      -2.582526     -2.693112      2.709478
  H      -5.292854      1.728069      0.275514
  H      -4.235675      0.525176     -4.089242
  H      -2.872035     -1.383096     -5.031173
  H      -1.788334     -2.989933     -3.454510
  H      -6.352220      0.279000      5.624240
  H      -6.602649      0.505996      7.361951
  H      -4.561201     -1.556979      6.431726
  H      -5.526157     -1.562549      7.915237
  H      -7.607850     -1.951277      6.414504
  H      -6.424968     -3.296922      6.509743
  H     -10.387650     -0.643222      3.989496
  H      -9.009243     -1.602146     -0.320977
  H      -6.861896     -2.571227     -1.249045
  H      -5.030578     -3.172325      0.331018
  N      -4.775804      1.097171      3.789306
  N      -5.398345      0.480952      2.970260
  H      -4.838296      0.245686      2.028037
98
Coordinates from ORCA-job orca E -6532.371329962540
  N      -3.970832      3.806253      4.937397
  Mo     -3.772958      1.855271      5.172497
  N      -4.710338      1.021622      6.668310
  C      -4.116979      1.151051      8.003121
  C      -3.366485      2.470428      8.101998
  N      -2.514203      2.659878      6.895560
  C      -2.244309      4.098635      6.627727
  C      -3.451501      4.722209      5.955353
  C      -1.243421      1.883343      6.949081
  C      -0.863391      1.530905      5.513130
  N      -2.044786      0.947793      4.878392
  H      -3.154849      5.675503      5.482860
  H      -4.228737      4.972384      6.701354
  H      -1.380717      4.152320      5.951285
  H      -1.978270      4.620106      7.562266
  H      -0.015520      0.828917      5.497546
  H      -0.541329      2.435452      4.970806
  H      -1.430176      0.960554      7.514851
  H      -0.460482      2.461217      7.468578
  H      -4.903178      1.127058      8.777909
  H      -3.441192      0.300466      8.212051
  H      -4.093234      3.294499      8.113726
  H      -2.759793      2.531699      9.021119
  C      -4.948727      4.447829      4.046768
  C      -6.297052      4.788893      4.699292
  C      -7.129926      3.564968      5.034719
  O      -7.379025      2.848921      3.794918
  C      -8.644175      2.627534      3.419460
  N      -9.632497      2.712597      4.289778
  C     -10.882723      2.427691      3.840931
  N     -11.241221      2.072714      2.625027
  C     -10.229399      2.005713      1.705680
  C     -10.514326      1.661839      0.363748
  C      -9.477518      1.626820     -0.541800
  C      -8.168812      1.933172     -0.106324
  N      -7.853613      2.248806      1.143854
  C      -8.872407      2.279498      2.041252
  C      -1.965600     -0.457619      4.480809
  C      -1.724559     -0.677637      2.962348
  C      -2.759655     -1.636361      2.382058
  O      -2.668098     -1.709495      0.931997
  C      -3.335593     -0.856794      0.172970
  N      -4.114455      0.097940      0.670660
  C      -4.737770      0.951675     -0.194101
  N      -4.674889      0.937791     -1.502928
  C      -3.910112     -0.063116     -2.049912
  C      -3.805020     -0.191340     -3.455103
  C      -3.046632     -1.221990     -3.968332
  C      -2.400779     -2.115965     -3.080104
  N      -2.464080     -2.022468     -1.758465
  C      -3.204468     -1.008771     -1.253515
  C      -5.884549      0.155250      6.608859
  C      -5.554236     -1.329473      6.851631
  C      -6.561507     -2.268283      6.213451
  O      -6.357653     -2.278045      4.768917
  C      -7.360455     -1.913492      3.962700
  N      -8.477764     -1.405045      4.444400
  C      -9.449609     -1.071870      3.555541
  N      -9.421563     -1.198414      2.245305
  C      -8.264487     -1.717371      1.728783
  C      -8.127697     -1.889192      0.330913
  C      -6.956885     -2.423950     -0.160948
  C      -5.929136     -2.775962      0.743023
  N      -6.008950     -2.614869      2.058100
  C      -7.163749     -2.100628      2.546652
  H      -4.489442      5.374939      3.657883
  H      -5.127040      3.792054      3.184051
  H      -6.145932      5.371301      5.622043
  H      -6.867232      5.433481      4.011958
  H      -8.085330      3.818465      5.508549
  H      -6.580878      2.875291      5.695972
  H     -11.675967      2.500334      4.591544
  H     -11.544567      1.435093      0.087801
  H      -9.650930      1.372509     -1.588349
  H      -7.348673      1.921449     -0.830590
  H      -1.164634     -0.936425      5.067393
  H      -2.900942     -0.967985      4.767781
  H      -0.722176     -1.093667      2.791049
  H      -1.770348      0.292178      2.447574
  H      -3.785402     -1.397342      2.684233
  H      -2.558654     -2.669118      2.693205
  H      -5.357202      1.715670      0.287347
  H      -4.329369      0.523645     -4.092110
  H      -2.940030     -1.360453     -5.045689
  H      -1.810005     -2.945983     -3.476854
  H      -6.346811      0.269264      5.620695
  H      -6.628169      0.495122      7.353645
  H      -4.553859     -1.548357      6.444473
  H      -5.517434     -1.552641      7.929432
  H      -7.595997     -1.975345      6.431531
  H      -6.395927     -3.305643      6.534265
  H     -10.358370     -0.646257      3.992355
  H      -8.955816     -1.595597     -0.315080
  H      -6.811605     -2.580851     -1.230663
  H      -4.998298     -3.206729      0.361270
  N      -4.761260      1.097435      3.801223
  N      -5.374062      0.490409      2.969092
  H      -4.808663      0.269107      2.020905
98
Coordinates from ORCA-job orca E -6532.372798043801
  N      -3.942533      3.801787      4.938296
  Mo     -3.769152      1.850510      5.193503
  N      -4.729033      1.033791      6.687403
  C      -4.151367      1.168116      8.028014
  C      -3.387595      2.479941      8.124055
  N      -2.522334      2.651312      6.923948
  C      -2.234459      4.085148      6.648518
  C      -3.430676      4.714907      5.962659
  C      -1.262093      1.859685      6.994626
  C      -0.865477      1.502072      5.565253
  N      -2.045284      0.937711      4.910771
  H      -3.125461      5.667829      5.495148
  H      -4.214357      4.967429      6.701185
  H      -1.365280      4.124702      5.978499
  H      -1.970699      4.610842      7.581292
  H      -0.028186      0.787482      5.563238
  H      -0.521079      2.401667      5.028515
  H      -1.468770      0.939917      7.558183
  H      -0.478651      2.427326      7.524596
  H      -4.948199      1.159993      8.792369
  H      -3.487345      0.312536      8.253692
  H      -4.104995      3.312008      8.122613
  H      -2.787685      2.541903      9.047459
  C      -4.906168      4.449009      4.037547
  C      -6.260612      4.798205      4.671726
  C      -7.110337      3.582014      4.989547
  O      -7.363352      2.884608      3.740171
  C      -8.629407      2.640799      3.381918
  N      -9.609141      2.725487      4.260461
  C     -10.861934      2.428482      3.827024
  N     -11.230763      2.060612      2.618311
  C     -10.227103      1.989684      1.690945
  C     -10.523598      1.630013      0.355907
  C      -9.496335      1.589036     -0.560234
  C      -8.184266      1.904975     -0.141213
  N      -7.859152      2.236739      1.102297
  C      -8.868447      2.274776      2.009314
  C      -1.968941     -0.455050      4.472270
  C      -1.749638     -0.624902      2.945246
  C      -2.751031     -1.617016      2.365108
  O      -2.660734     -1.685226      0.914554
  C      -3.340773     -0.840193      0.158607
  N      -4.125603      0.109322      0.657680
  C      -4.768041      0.952020     -0.204495
  N      -4.714614      0.933030     -1.512509
  C      -3.939469     -0.058494     -2.061138
  C      -3.838982     -0.187574     -3.465153
  C      -3.069438     -1.208464     -3.981056
  C      -2.408210     -2.092462     -3.096606
  N      -2.466540     -1.997663     -1.775991
  C      -3.217435     -0.993056     -1.268146
  C      -5.889740      0.150356      6.613516
  C      -5.541087     -1.329794      6.856955
  C      -6.539299     -2.283278      6.224939
  O      -6.343033     -2.296982      4.779384
  C      -7.348351     -1.927111      3.977938
  N      -8.460599     -1.413592      4.466493
  C      -9.434183     -1.072005      3.582393
  N      -9.411066     -1.190023      2.271135
  C      -8.259699     -1.714243      1.747794
  C      -8.128175     -1.877801      0.348470
  C      -6.963496     -2.420959     -0.150636
  C      -5.937310     -2.790588      0.747951
  N      -6.012138     -2.637221      2.064677
  C      -7.159737     -2.112411      2.560162
  H      -4.436891      5.374019      3.656016
  H      -5.076755      3.795448      3.172082
  H      -6.118722      5.376365      5.598263
  H      -6.814628      5.449590      3.978173
  H      -8.064381      3.844854      5.461068
  H      -6.576021      2.878258      5.648086
  H     -11.647528      2.503864      4.584389
  H     -11.555401      1.394969      0.092146
  H      -9.679604      1.322165     -1.601932
  H      -7.369900      1.886103     -0.871721
  H      -1.159908     -0.950536      5.032744
  H      -2.900077     -0.975134      4.755660
  H      -0.732173     -0.986253      2.741187
  H      -1.854889      0.354770      2.458460
  H      -3.785108     -1.412846      2.668111
  H      -2.515100     -2.643043      2.674818
  H      -5.394011      1.706866      0.282770
  H      -4.374859      0.519577     -4.098776
  H      -2.965717     -1.346633     -5.057456
  H      -1.808151     -2.914831     -3.494855
  H      -6.342051      0.259963      5.620442
  H      -6.647165      0.477587      7.350176
  H      -4.539915     -1.538057      6.445665
  H      -5.496905     -1.549921      7.935027
  H      -7.577060     -2.004633      6.447272
  H      -6.356924     -3.317331      6.547872
  H     -10.339637     -0.645232      4.025958
  H      -8.955105     -1.571890     -0.293743
  H      -6.822266     -2.570932     -1.222068
  H      -5.010577     -3.227844      0.360588
  N      -4.752548      1.093024      3.815737
  N      -5.361529      0.496394      2.974080
  H      -4.798884      0.284049      2.014525
98
Coordinates from ORCA-job orca E -6532.374205279098
  N      -3.912690      3.793905      4.939541
  Mo     -3.767390      1.843928      5.217537
  N      -4.752027      1.046694      6.709758
  C      -4.191000      1.186829      8.056264
  C      -3.412008      2.489569      8.148654
  N      -2.532602      2.639456      6.955471
  C      -2.223688      4.067209      6.670664
  C      -3.406268      4.705220      5.968678
  C      -1.284787      1.830705      7.045665
  C      -0.870184      1.465714      5.623802
  N      -2.048372      0.922707      4.947830
  H      -3.088239      5.655543      5.504311
  H      -4.196836      4.964793      6.697433
  H      -1.348440      4.089683      6.007651
  H      -1.961452      4.597862      7.601054
  H      -0.046265      0.735816      5.637092
  H      -0.499148      2.358672      5.093103
  H      -1.513862      0.914661      7.606776
  H      -0.501045      2.386923      7.587551
  H      -4.998475      1.196143      8.809516
  H      -3.540411      0.325790      8.300673
  H      -4.118452      3.330817      8.132249
  H      -2.819627      2.552323      9.076885
  C      -4.859692      4.446468      4.025531
  C      -6.219859      4.804945      4.641087
  C      -7.088766      3.597690      4.939645
  O      -7.348895      2.921053      3.679578
  C      -8.614823      2.655241      3.337477
  N      -9.587883      2.732247      4.224508
  C     -10.842456      2.424947      3.803587
  N     -11.219020      2.052492      2.598487
  C     -10.221246      1.984698      1.663671
  C     -10.525650      1.618337      0.332574
  C      -9.506404      1.576610     -0.592414
  C      -8.191954      1.896692     -0.185192
  N      -7.859555      2.237016      1.054181
  C      -8.861724      2.278534      1.968816
  C      -1.976093     -0.455241      4.463407
  C      -1.779581     -0.571966      2.929208
  C      -2.743789     -1.596445      2.345541
  O      -2.658759     -1.655109      0.894034
  C      -3.359214     -0.818823      0.148110
  N      -4.151347      0.118799      0.657901
  C      -4.825301      0.947471     -0.195078
  N      -4.795799      0.923419     -1.504012
  C      -4.011221     -0.053595     -2.063929
  C      -3.935581     -0.185808     -3.470274
  C      -3.154641     -1.191863     -3.997519
  C      -2.456750     -2.058071     -3.121731
  N      -2.492879     -1.960407     -1.799814
  C      -3.255705     -0.970494     -1.281025
  C      -5.901640      0.150115      6.622658
  C      -5.537829     -1.324313      6.875188
  C      -6.523260     -2.294185      6.247518
  O      -6.322771     -2.318690      4.802537
  C      -7.319759     -1.943527      3.994189
  N      -8.432313     -1.422203      4.474128
  C      -9.395243     -1.071824      3.581609
  N      -9.359962     -1.185193      2.270174
  C      -8.208461     -1.718477      1.756240
  C      -8.064157     -1.879017      0.357789
  C      -6.901789     -2.435456     -0.130884
  C      -5.890447     -2.822161      0.776745
  N      -5.976673     -2.670997      2.092910
  C      -7.121480     -2.131141      2.578138
  H      -4.378908      5.368748      3.652230
  H      -5.021250      3.794835      3.157164
  H      -6.085994      5.377490      5.572393
  H      -6.756576      5.465335      3.942221
  H      -8.040393      3.871313      5.410190
  H      -6.570492      2.876873      5.593081
  H     -11.621940      2.496435      4.568887
  H     -11.557968      1.378412      0.078035
  H      -9.696704      1.304209     -1.631437
  H      -7.382607      1.873598     -0.921101
  H      -1.159540     -0.969439      4.995388
  H      -2.903579     -0.985431      4.741166
  H      -0.749340     -0.874796      2.693679
  H      -1.945369      0.414484      2.472791
  H      -3.784882     -1.431247      2.651042
  H      -2.470556     -2.614921      2.649991
  H      -5.457346      1.689583      0.303830
  H      -4.499357      0.507753     -4.096520
  H      -3.069568     -1.331828     -5.076184
  H      -1.845243     -2.868254     -3.527919
  H      -6.341621      0.252365      5.623229
  H      -6.673454      0.469331      7.347949
  H      -4.533947     -1.525036      6.466076
  H      -5.492155     -1.536192      7.954941
  H      -7.565019     -2.027008      6.464668
  H      -6.328143     -3.323284      6.578443
  H     -10.303396     -0.645018      4.018236
  H      -8.880313     -1.561631     -0.292093
  H      -6.751627     -2.583660     -1.201330
  H      -4.966806     -3.271668      0.397951
  N      -4.744153      1.089631      3.832077
  N      -5.350278      0.503839      2.982261
  H      -4.786908      0.296872      2.013076
98
Coordinates from ORCA-job orca E -6532.375554943267
  N      -3.887674      3.784840      4.942218
  Mo     -3.764962      1.838222      5.239318
  N      -4.772620      1.056975      6.729787
  C      -4.227273      1.202528      8.081284
  C      -3.435466      2.497703      8.171314
  N      -2.543331      2.628558      6.984962
  C      -2.215724      4.050100      6.691357
  C      -3.384670      4.695572      5.973956
  C      -1.307134      1.805519      7.093712
  C      -0.874172      1.431352      5.679691
  N      -2.049606      0.908489      4.983965
  H      -3.052701      5.641756      5.510966
  H      -4.181292      4.964674      6.692488
  H      -1.335722      4.056472      6.034627
  H      -1.954409      4.585886      7.619149
  H      -0.064591      0.685837      5.709121
  H      -0.475956      2.316254      5.154285
  H      -1.556389      0.893224      7.652438
  H      -0.524414      2.352270      7.646845
  H      -5.043951      1.226304      8.824387
  H      -3.588720      0.337280      8.342745
  H      -4.132234      3.346330      8.141899
  H      -2.850326      2.561414      9.104011
  C      -4.816015      4.441605      4.012080
  C      -6.181668      4.809507      4.608815
  C      -7.069891      3.612186      4.887246
  O      -7.337187      2.957992      3.616498
  C      -8.602721      2.673513      3.290937
  N      -9.566758      2.745778      4.187636
  C     -10.824024      2.430217      3.781097
  N     -11.211560      2.051499      2.581231
  C     -10.221951      1.983242      1.638047
  C     -10.537861      1.607116      0.312418
  C      -9.528642      1.562711     -0.622645
  C      -8.210362      1.888026     -0.230061
  N      -7.867143      2.238585      1.003498
  C      -8.860351      2.285034      1.927400
  C      -1.978605     -0.452729      4.455317
  C      -1.808388     -0.518684      2.916236
  C      -2.729977     -1.578619      2.330906
  O      -2.652410     -1.627423      0.878168
  C      -3.378045     -0.804458      0.141752
  N      -4.182573      0.117487      0.661392
  C      -4.886916      0.931041     -0.182998
  N      -4.873245      0.905385     -1.491164
  C      -4.073553     -0.053104     -2.061580
  C      -4.013043     -0.184397     -3.468250
  C      -3.216321     -1.172638     -4.005286
  C      -2.487021     -2.021782     -3.138768
  N      -2.508387     -1.924138     -1.817112
  C      -3.287737     -0.952162     -1.288901
  C      -5.909409      0.145188      6.630515
  C      -5.527427     -1.323893      6.886967
  C      -6.499519     -2.309202      6.262873
  O      -6.297144     -2.340086      4.818489
  C      -7.288248     -1.955578      4.008120
  N      -8.396807     -1.423981      4.485791
  C      -9.352420     -1.061161      3.589828
  N      -9.312041     -1.168157      2.277943
  C      -8.165798     -1.714865      1.766846
  C      -8.016957     -1.872132      0.368335
  C      -6.861708     -2.446423     -0.116383
  C      -5.862013     -2.854567      0.795239
  N      -5.951605     -2.705352      2.111381
  C      -7.088945     -2.146246      2.592414
  H      -4.323656      5.361229      3.647324
  H      -4.966838      3.790889      3.140752
  H      -6.055216      5.375303      5.545273
  H      -6.701019      5.479706      3.905948
  H      -8.018793      3.896553      5.357022
  H      -6.568433      2.873458      5.533862
  H     -11.595075      2.501273      4.554533
  H     -11.572237      1.361433      0.069745
  H      -9.728363      1.282488     -1.657791
  H      -7.407439      1.858295     -0.972551
  H      -1.153050     -0.982828      4.956109
  H      -2.900682     -0.994362      4.729332
  H      -0.768387     -0.756772      2.650456
  H      -2.040387      0.467937      2.490584
  H      -3.776120     -1.457131      2.640417
  H      -2.414453     -2.586567      2.629432
  H      -5.530367      1.657164      0.325530
  H      -4.600369      0.496003     -4.086557
  H      -3.142587     -1.311351     -5.084495
  H      -1.861871     -2.817877     -3.551794
  H      -6.339812      0.241918      5.626470
  H      -6.693758      0.452818      7.347246
  H      -4.521293     -1.513602      6.478164
  H      -5.478374     -1.531137      7.967405
  H      -7.544962     -2.055190      6.477338
  H      -6.290803     -3.333800      6.598651
  H     -10.259143     -0.630260      4.025014
  H      -8.824514     -1.539240     -0.284927
  H      -6.708295     -2.592346     -1.186620
  H      -4.944593     -3.319167      0.419686
  N      -4.735558      1.086499      3.844956
  N      -5.341011      0.507191      2.990838
  H      -4.775879      0.304003      2.013723
98
Coordinates from ORCA-job orca E -6532.376764758633
  N      -3.868758      3.776110      4.948465
  Mo     -3.767021      1.832795      5.260052
  N      -4.796435      1.066633      6.747927
  C      -4.265771      1.217778      8.103867
  C      -3.461876      2.505353      8.192565
  N      -2.557399      2.617507      7.013411
  C      -2.210320      4.032709      6.711295
  C      -3.365220      4.687387      5.979430
  C      -1.333612      1.779574      7.141595
  C      -0.882987      1.393604      5.736685
  N      -2.055017      0.891311      5.021002
  H      -3.017533      5.627292      5.515173
  H      -4.166567      4.969098      6.687873
  H      -1.326170      4.022067      6.059933
  H      -1.948338      4.573014      7.636258
  H      -0.089979      0.631334      5.783675
  H      -0.454757      2.268250      5.216614
  H      -1.603506      0.871572      7.697778
  H      -0.552358      2.316798      7.706099
  H      -5.090893      1.255464      8.837304
  H      -3.639289      0.348463      8.381838
  H      -4.149434      3.361084      8.151638
  H      -2.884200      2.569067      9.129918
  C      -4.778321      4.435312      4.001329
  C      -6.148191      4.814262      4.580828
  C      -7.054831      3.628079      4.842920
  O      -7.332081      2.994298      3.563872
  C      -8.597829      2.691402      3.257596
  N      -9.550739      2.757635      4.166667
  C     -10.811901      2.437475      3.775729
  N     -11.213822      2.059415      2.580073
  C     -10.234974      1.992034      1.625869
  C     -10.565390      1.614705      0.303807
  C      -9.567468      1.569102     -0.642769
  C      -8.244123      1.891613     -0.264373
  N      -7.887735      2.244499      0.964583
  C      -8.870383      2.295557      1.899299
  C      -1.982392     -0.450249      4.444960
  C      -1.833295     -0.460943      2.903409
  C      -2.705530     -1.556636      2.310178
  O      -2.633361     -1.594593      0.856158
  C      -3.385422     -0.789343      0.126852
  N      -4.203629      0.117469      0.652569
  C      -4.939655      0.908641     -0.187209
  N      -4.943486      0.873207     -1.495063
  C      -4.127914     -0.068110     -2.071949
  C      -4.085459     -0.208741     -3.478856
  C      -3.272448     -1.181008     -4.020818
  C      -2.508346     -2.004284     -3.158922
  N      -2.512576     -1.897214     -1.837515
  C      -3.308966     -0.941520     -1.304772
  C      -5.920267      0.139656      6.638301
  C      -5.519703     -1.323727      6.899768
  C      -6.476050     -2.325767      6.277643
  O      -6.269895     -2.363949      4.833574
  C      -7.253003     -1.968574      4.018891
  N      -8.357797     -1.424351      4.491192
  C      -9.302246     -1.045707      3.589589
  N      -9.252292     -1.145026      2.277642
  C      -8.110609     -1.706546      1.772500
  C      -7.952614     -1.858598      0.374364
  C      -6.803313     -2.450352     -0.103985
  C      -5.818664     -2.881661      0.813652
  N      -5.916423     -2.737192      2.129633
  C      -7.047766     -2.159499      2.604060
  H      -4.274498      5.350299      3.641278
  H      -4.920466      3.783261      3.129846
  H      -6.026962      5.373928      5.521149
  H      -6.651610      5.493426      3.875377
  H      -7.999899      3.922813      5.313872
  H      -6.568741      2.872499      5.481167
  H     -11.572633      2.505624      4.559457
  H     -11.602654      1.369777      0.073747
  H      -9.778098      1.288016     -1.675524
  H      -7.448091      1.855385     -1.014165
  H      -1.148481     -0.995821      4.914942
  H      -2.899528     -1.005566      4.710062
  H      -0.786047     -0.628560      2.613534
  H      -2.133117      0.521398      2.511406
  H      -3.756150     -1.482930      2.621347
  H      -2.344926     -2.551771      2.600826
  H      -5.594404      1.621962      0.325520
  H      -4.699557      0.451793     -4.093017
  H      -3.212259     -1.326769     -5.100390
  H      -1.869089     -2.787483     -3.575304
  H      -6.342310      0.229964      5.630104
  H      -6.716107      0.436253      7.347082
  H      -4.510169     -1.501026      6.493448
  H      -5.469081     -1.526321      7.981057
  H      -7.525675     -2.085316      6.487397
  H      -6.253973     -3.345744      6.619013
  H     -10.207572     -0.605916      4.020006
  H      -8.748484     -1.507658     -0.283678
  H      -6.642588     -2.592054     -1.173736
  H      -4.906653     -3.360755      0.442800
  N      -4.731541      1.084919      3.858090
  N      -5.340690      0.511578      3.003358
  H      -4.778669      0.310184      2.016121
98
Coordinates from ORCA-job orca E -6532.377786005996
  N      -3.846564      3.765072      4.948799
  Mo     -3.764283      1.825860      5.275979
  N      -4.816259      1.077134      6.760220
  C      -4.301530      1.237904      8.120425
  C      -3.486842      2.518859      8.206617
  N      -2.569311      2.610562      7.036232
  C      -2.202571      4.018374      6.722819
  C      -3.342152      4.680823      5.974758
  C      -1.357580      1.759473      7.187271
  C      -0.888273      1.354040      5.794557
  N      -2.055559      0.870421      5.060889
  H      -2.977588      5.611537      5.505464
  H      -4.147603      4.978910      6.671473
  H      -1.314533      3.988945      6.077613
  H      -1.940057      4.565255      7.643665
  H      -0.114441      0.573897      5.864950
  H      -0.427542      2.213613      5.276682
  H      -1.647383      0.858255      7.743913
  H      -0.579436      2.290390      7.761207
  H      -5.135408      1.290643      8.843048
  H      -3.687343      0.365762      8.417009
  H      -4.166001      3.380596      8.152589
  H      -2.918160      2.584910      9.149066
  C      -4.735660      4.422839      3.981076
  C      -6.109550      4.817326      4.540783
  C      -7.036344      3.644466      4.788413
  O      -7.322073      3.029443      3.501877
  C      -8.587728      2.705397      3.215310
  N      -9.529515      2.765971      4.137414
  C     -10.794511      2.439327      3.762782
  N     -11.210756      2.060235      2.572329
  C     -10.243235      1.993066      1.606441
  C     -10.589122      1.612573      0.288897
  C      -9.601636      1.564675     -0.668558
  C      -8.273281      1.885041     -0.304741
  N      -7.902942      2.241509      0.918773
  C      -8.875481      2.299196      1.863766
  C      -1.985413     -0.452646      4.447233
  C      -1.862863     -0.418037      2.905141
  C      -2.689818     -1.541617      2.300984
  O      -2.622708     -1.560736      0.845902
  C      -3.399092     -0.768556      0.128143
  N      -4.232679      0.118428      0.664525
  C      -4.995366      0.893571     -0.167241
  N      -5.010617      0.859662     -1.473918
  C      -4.178159     -0.060155     -2.061226
  C      -4.147140     -0.198262     -3.467205
  C      -3.317049     -1.150757     -4.018329
  C      -2.524342     -1.955945     -3.166476
  N      -2.517406     -1.850460     -1.845851
  C      -3.331427     -0.914887     -1.304286
  C      -5.924329      0.132087      6.642129
  C      -5.502948     -1.325366      6.905074
  C      -6.443376     -2.343233      6.284823
  O      -6.236970     -2.386200      4.840611
  C      -7.216215     -1.978566      4.026921
  N      -8.312524     -1.419569      4.501119
  C      -9.252832     -1.027012      3.600607
  N      -9.205373     -1.124708      2.288422
  C      -8.074081     -1.704665      1.781158
  C      -7.921537     -1.860135      0.382607
  C      -6.784445     -2.474333     -0.096856
  C      -5.806486     -2.924329      0.820318
  N      -5.898647     -2.776442      2.136268
  C      -7.017925     -2.175917      2.611461
  H      -4.219322      5.330725      3.621654
  H      -4.869476      3.765010      3.112330
  H      -5.993167      5.373035      5.483896
  H      -6.595606      5.504831      3.831267
  H      -7.977481      3.951457      5.259196
  H      -6.567393      2.872807      5.420629
  H     -11.545392      2.503145      4.556729
  H     -11.629737      1.367934      0.072019
  H      -9.823364      1.281580     -1.698354
  H      -7.483253      1.841018     -1.060944
  H      -1.144195     -1.012124      4.886608
  H      -2.898571     -1.016198      4.709475
  H      -0.813557     -0.519844      2.592559
  H      -2.224417      0.556116      2.545147
  H      -3.742581     -1.512025      2.614887
  H      -2.288318     -2.524745      2.579294
  H      -5.663453      1.591119      0.350476
  H      -4.783388      0.447943     -4.073221
  H      -3.264996     -1.294761     -5.097551
  H      -1.871189     -2.723214     -3.590618
  H      -6.339817      0.215810      5.630852
  H      -6.730605      0.415336      7.344430
  H      -4.490632     -1.487424      6.499357
  H      -5.448869     -1.526107      7.986516
  H      -7.496654     -2.118015      6.493392
  H      -6.206548     -3.358601      6.629416
  H     -10.152463     -0.579240      4.032716
  H      -8.711687     -1.493669     -0.274418
  H      -6.627431     -2.619019     -1.166696
  H      -4.903561     -3.420449      0.448584
  N      -4.719690      1.078687      3.865281
  N      -5.334302      0.506286      3.013223
  H      -4.777940      0.303509      2.017868
98
Coordinates from ORCA-job orca E -6532.378575340050
  N      -3.830817      3.760685      4.961467
  Mo     -3.767338      1.823937      5.294315
  N      -4.837219      1.084850      6.771918
  C      -4.337507      1.251601      8.136615
  C      -3.514270      2.527105      8.224749
  N      -2.584862      2.603612      7.062928
  C      -2.198199      4.005348      6.744278
  C      -3.323676      4.678440      5.983691
  C      -1.385719      1.738437      7.233339
  C      -0.899438      1.319775      5.850300
  N      -2.061581      0.856772      5.095407
  H      -2.943177      5.600889      5.510645
  H      -4.131496      4.991266      6.671225
  H      -1.306573      3.959870      6.104653
  H      -1.934306      4.554244      7.663674
  H      -0.145096      0.522458      5.940378
  H      -0.406707      2.166459      5.338982
  H      -1.695735      0.841793      7.786699
  H      -0.610373      2.261067      7.818972
  H      -5.180004      1.316095      8.848772
  H      -3.734522      0.376575      8.447698
  H      -4.186494      3.393830      8.161507
  H      -2.954372      2.592876      9.172649
  C      -4.704087      4.417544      3.978468
  C      -6.080352      4.825433      4.522778
  C      -7.025996      3.664467      4.755727
  O      -7.324283      3.071015      3.461187
  C      -8.590045      2.729838      3.196067
  N      -9.516357      2.781232      4.134753
  C     -10.785597      2.448742      3.779809
  N     -11.220232      2.074374      2.594766
  C     -10.268549      2.011814      1.613002
  C     -10.635363      1.633371      0.300285
  C      -9.661928      1.585204     -0.671278
  C      -8.327915      1.902222     -0.326221
  N      -7.938591      2.258736      0.891643
  C      -8.897482      2.319524      1.850578
  C      -1.987716     -0.442789      4.432943
  C      -1.885758     -0.358298      2.892456
  C      -2.654947     -1.518284      2.279838
  O      -2.591299     -1.532206      0.824624
  C      -3.398733     -0.770269      0.108720
  N      -4.255968      0.094154      0.645145
  C      -5.045828      0.841468     -0.186636
  N      -5.068271      0.798497     -1.493502
  C      -4.212751     -0.100326     -2.080792
  C      -4.188668     -0.248871     -3.486116
  C      -3.334584     -1.180836     -4.036069
  C      -2.511086     -1.954130     -3.183935
  N      -2.496962     -1.837746     -1.863813
  C      -3.335280     -0.923349     -1.323412
  C      -5.931035      0.124250      6.643895
  C      -5.491926     -1.328303      6.906381
  C      -6.417193     -2.360607      6.287279
  O      -6.210186     -2.407518      4.842524
  C      -7.182190     -1.986129      4.027249
  N      -8.272194     -1.413324      4.499191
  C      -9.203572     -1.004306      3.597132
  N      -9.151682     -1.096333      2.284854
  C      -8.027596     -1.692152      1.779698
  C      -7.871869     -1.843777      0.381213
  C      -6.742834     -2.474028     -0.096326
  C      -5.775430     -2.943266      0.822543
  N      -5.870753     -2.799883      2.138873
  C      -6.982500     -2.183515      2.612114
  H      -4.177709      5.319407      3.618124
  H      -4.833202      3.754632      3.112609
  H      -5.966767      5.375462      5.469922
  H      -6.550878      5.522889      3.812104
  H      -7.961682      3.981902      5.230288
  H      -6.572117      2.876053      5.379481
  H     -11.523407      2.505377      4.585887
  H     -11.679754      1.389420      0.099833
  H      -9.898751      1.303027     -1.698084
  H      -7.547133      1.852401     -1.091304
  H      -1.137550     -1.011998      4.842528
  H      -2.894363     -1.022003      4.685796
  H      -0.836912     -0.387192      2.564181
  H      -2.311831      0.599625      2.562004
  H      -3.708139     -1.539494      2.594641
  H      -2.205662     -2.481861      2.553004
  H      -5.730584      1.524748      0.328726
  H      -4.848456      0.372934     -4.092122
  H      -3.286670     -1.332937     -5.114753
  H      -1.838155     -2.704224     -3.607695
  H      -6.341139      0.204457      5.630334
  H      -6.746235      0.394139      7.340991
  H      -4.477475     -1.476614      6.501097
  H      -5.434739     -1.528647      7.987808
  H      -7.473507     -2.150290      6.495179
  H      -6.165592     -3.371502      6.634154
  H     -10.098638     -0.545002      4.027340
  H      -8.653071     -1.460728     -0.276878
  H      -6.583517     -2.616545     -1.166109
  H      -4.878588     -3.451038      0.451860
  N      -4.715024      1.082322      3.875540
  N      -5.337234      0.513790      3.026590
  H      -4.789523      0.312285      2.022298
98
Coordinates from ORCA-job orca E -6532.379147455289
  N      -3.803835      3.742451      4.954799
  Mo     -3.766197      1.808351      5.308893
  N      -4.858781      1.096618      6.781952
  C      -4.376750      1.280002      8.150784
  C      -3.539213      2.546465      8.230531
  N      -2.595532      2.594589      7.079185
  C      -2.182946      3.985668      6.745447
  C      -3.290889      4.667879      5.966375
  C      -1.411590      1.712945      7.276117
  C      -0.910149      1.267841      5.907261
  N      -2.067721      0.823875      5.135717
  H      -2.890787      5.576333      5.482424
  H      -4.099414      5.004533      6.641798
  H      -1.287309      3.915752      6.113177
  H      -1.916473      4.541828      7.659596
  H      -0.179436      0.451952      6.024116
  H      -0.383739      2.094196      5.396302
  H      -1.744077      0.827788      7.834368
  H      -0.637875      2.230241      7.867815
  H      -5.229047      1.367509      8.848734
  H      -3.790357      0.402364      8.485670
  H      -4.200413      3.420564      8.148648
  H      -2.990010      2.617933      9.184223
  C      -4.657438      4.394557      3.951483
  C      -6.035227      4.827210      4.472048
  C      -7.005360      3.684839      4.695805
  O      -7.312999      3.104989      3.397200
  C      -8.577131      2.740878      3.152035
  N      -9.491414      2.786839      4.102712
  C     -10.763124      2.445222      3.763658
  N     -11.211214      2.071195      2.583609
  C     -10.271360      2.009399      1.590402
  C     -10.652838      1.627659      0.282601
  C      -9.688194      1.571657     -0.697442
  C      -8.350332      1.883330     -0.365762
  N      -7.948123      2.247263      0.846618
  C      -8.898336      2.319238      1.813377
  C      -1.999727     -0.456957      4.438016
  C      -1.920193     -0.326473      2.900258
  C      -2.648631     -1.499185      2.261817
  O      -2.583888     -1.485650      0.806886
  C      -3.411026     -0.731639      0.105710
  N      -4.279548      0.110893      0.658381
  C      -5.096036      0.845627     -0.157944
  N      -5.136534      0.809397     -1.465189
  C      -4.269648     -0.067030     -2.068909
  C      -4.265775     -0.210075     -3.475011
  C      -3.399346     -1.120200     -4.042017
  C      -2.543499     -1.876776     -3.206167
  N      -2.511784     -1.766299     -1.885353
  C      -3.362407     -0.873945     -1.328058
  C      -5.940131      0.122581      6.650539
  C      -5.487735     -1.323660      6.924221
  C      -6.400522     -2.373015      6.314011
  O      -6.192774     -2.437488      4.869254
  C      -7.156748     -2.009326      4.047015
  N      -8.242425     -1.420070      4.509526
  C      -9.161892     -1.000393      3.599902
  N      -9.100477     -1.094577      2.288224
  C      -7.980864     -1.707791      1.792911
  C      -7.814794     -1.861473      0.395918
  C      -6.689171     -2.506207     -0.072292
  C      -5.734511     -2.986613      0.854059
  N      -5.840408     -2.843096      2.169753
  C      -6.949526     -2.213361      2.634021
  H      -4.115168      5.283589      3.583196
  H      -4.785315      3.720316      3.094842
  H      -5.925861      5.378632      5.418476
  H      -6.483965      5.530309      3.753395
  H      -7.935575      4.019788      5.169059
  H      -6.571310      2.884337      5.318439
  H     -11.491412      2.496774      4.578258
  H     -11.699597      1.385863      0.093568
  H      -9.935807      1.285629     -1.720994
  H      -7.574771      1.821580     -1.134978
  H      -1.144823     -1.038838      4.819537
  H      -2.904102     -1.042310      4.686030
  H      -0.875397     -0.295604      2.558845
  H      -2.393706      0.620960      2.605366
  H      -3.702225     -1.556766      2.573388
  H      -2.169581     -2.452684      2.519492
  H      -5.787703      1.513332      0.369252
  H      -4.950624      0.398153     -4.068405
  H      -3.365810     -1.268218     -5.122161
  H      -1.859206     -2.608361     -3.644838
  H      -6.344309      0.192810      5.633990
  H      -6.763852      0.386697      7.339814
  H      -4.471133     -1.465187      6.521531
  H      -5.429171     -1.515036      8.007443
  H      -7.459548     -2.173398      6.519188
  H      -6.136150     -3.376860      6.672151
  H     -10.052622     -0.522227      4.022067
  H      -8.584611     -1.466406     -0.268243
  H      -6.521721     -2.650175     -1.140915
  H      -4.838127     -3.501932      0.490645
  N      -4.706144      1.062951      3.888103
  N      -5.335279      0.493404      3.045362
  H      -4.798798      0.284148      2.035212
98
Coordinates from ORCA-job orca E -6532.379487017030
  N      -3.781105      3.737261      4.946727
  Mo     -3.766814      1.805785      5.309808
  N      -4.880196      1.109589      6.774586
  C      -4.416374      1.306155      8.148052
  C      -3.568163      2.565979      8.225475
  N      -2.609365      2.592821      7.086042
  C      -2.171577      3.974657      6.744373
  C      -3.261674      4.667689      5.948992
  C      -1.440367      1.696541      7.306926
  C      -0.922890      1.230544      5.951099
  N      -2.074348      0.806420      5.160591
  H      -2.842459      5.562829      5.456235
  H      -4.069384      5.026629      6.613870
  H      -1.271938      3.883695      6.120438
  H      -1.903495      4.533690      7.656266
  H      -0.216591      0.397164      6.093036
  H      -0.363748      2.037586      5.443596
  H      -1.794647      0.821230      7.867328
  H      -0.668801      2.207780      7.906681
  H      -5.278807      1.410074      8.831235
  H      -3.843432      0.427403      8.502448
  H      -4.220464      3.445285      8.127144
  H      -3.030532      2.641734      9.185570
  C      -4.621307      4.384449      3.929022
  C      -5.997385      4.837254      4.436456
  C      -6.982283      3.710186      4.663019
  O      -7.306776      3.137360      3.364993
  C      -8.572093      2.750917      3.152731
  N      -9.462500      2.787519      4.127576
  C     -10.740968      2.437344      3.821976
  N     -11.217386      2.064675      2.653025
  C     -10.302013      2.008806      1.635354
  C     -10.716912      1.629174      0.337536
  C      -9.776616      1.574940     -0.667514
  C      -8.429816      1.885855     -0.369528
  N      -7.997298      2.249773      0.831964
  C      -8.923839      2.322930      1.822672
  C      -2.006486     -0.460528      4.438268
  C      -1.938085     -0.306320      2.904226
  C      -2.630962     -1.494997      2.257263
  O      -2.563248     -1.470656      0.803574
  C      -3.405264     -0.731683      0.103882
  N      -4.293307      0.090922      0.656811
  C      -5.114784      0.819547     -0.159868
  N      -5.144088      0.792352     -1.467438
  C      -4.259369     -0.066480     -2.070267
  C      -4.242779     -0.199895     -3.476037
  C      -3.356798     -1.090991     -4.042670
  C      -2.493574     -1.837720     -3.207118
  N      -2.473727     -1.736016     -1.886626
  C      -3.344689     -0.863493     -1.329291
  C      -5.950926      0.124842      6.636671
  C      -5.487101     -1.317610      6.910933
  C      -6.390506     -2.375535      6.303110
  O      -6.179117     -2.446623      4.859630
  C      -7.135552     -2.008738      4.035677
  N      -8.214666     -1.407216      4.496834
  C      -9.130557     -0.982200      3.586602
  N      -9.073350     -1.084897      2.274792
  C      -7.961943     -1.714214      1.780616
  C      -7.803532     -1.883167      0.384273
  C      -6.689551     -2.547876     -0.080491
  C      -5.735856     -3.028183      0.847713
  N      -5.833675     -2.869754      2.162216
  C      -6.933614     -2.224474      2.623509
  H      -4.068766      5.262981      3.551040
  H      -4.750581      3.699461      3.080748
  H      -5.886751      5.392869      5.379887
  H      -6.433470      5.541349      3.711949
  H      -7.904539      4.060103      5.141572
  H      -6.558966      2.903454      5.284076
  H     -11.449206      2.478455      4.656940
  H     -11.768676      1.387708      0.175396
  H     -10.050140      1.290910     -1.684455
  H      -7.671289      1.820737     -1.156570
  H      -1.147806     -1.047918      4.802846
  H      -2.907495     -1.052196      4.683572
  H      -0.896745     -0.231417      2.558581
  H      -2.447450      0.627133      2.626234
  H      -3.683548     -1.578869      2.566632
  H      -2.128546     -2.437191      2.512201
  H      -5.821595      1.474494      0.364740
  H      -4.933049      0.400958     -4.069122
  H      -3.312897     -1.231457     -5.122414
  H      -1.792768     -2.553107     -3.646178
  H      -6.350755      0.192687      5.618277
  H      -6.781076      0.379720      7.321808
  H      -4.469278     -1.451949      6.508419
  H      -5.426445     -1.507870      7.994247
  H      -7.451367     -2.184960      6.506703
  H      -6.117614     -3.375131      6.665240
  H     -10.016411     -0.498386      4.008810
  H      -8.571995     -1.486218     -0.280913
  H      -6.530030     -2.706820     -1.147924
  H      -4.847777     -3.556618      0.487404
  N      -4.698389      1.062792      3.882223
  N      -5.335033      0.494339      3.043132
  H      -4.807151      0.296258      2.030171
98
Coordinates from ORCA-job orca E -6532.379720026103
  N      -3.759397      3.722933      4.933378
  Mo     -3.768017      1.794122      5.313821
  N      -4.893361      1.123147      6.779321
  C      -4.438974      1.335994      8.153699
  C      -3.577593      2.587343      8.217988
  N      -2.611029      2.586697      7.084927
  C      -2.150286      3.957915      6.729608
  C      -3.228034      4.658836      5.923432
  C      -1.457527      1.674643      7.324554
  C      -0.935062      1.187294      5.978407
  N      -2.084875      0.780153      5.175703
  H      -2.794099      5.540394      5.418990
  H      -4.030475      5.040022      6.582275
  H      -1.250655      3.845327      6.109363
  H      -1.875849      4.521861      7.636387
  H      -0.249177      0.340014      6.137996
  H      -0.352046      1.977361      5.470617
  H      -1.830646      0.811425      7.891511
  H      -0.682848      2.179938      7.925387
  H      -5.306330      1.460681      8.826714
  H      -3.878979      0.456553      8.526285
  H      -4.219281      3.472448      8.101950
  H      -3.045567      2.671058      9.180422
  C      -4.592380      4.364059      3.906375
  C      -5.965723      4.837167      4.401854
  C      -6.965750      3.723052      4.632038
  O      -7.300976      3.150882      3.336211
  C      -8.564763      2.750680      3.139168
  N      -9.445662      2.779908      4.122908
  C     -10.724861      2.420350      3.829589
  N     -11.209984      2.047882      2.663991
  C     -10.302844      1.995547      1.638159
  C     -10.726818      1.611898      0.344560
  C      -9.792766      1.553392     -0.666378
  C      -8.444435      1.864391     -0.378666
  N      -8.004441      2.235902      0.818258
  C      -8.924504      2.314461      1.814097
  C      -2.016828     -0.476203      4.430457
  C      -1.946242     -0.298752      2.899104
  C      -2.621039     -1.487813      2.232533
  O      -2.545873     -1.446417      0.780261
  C      -3.403396     -0.718476      0.086976
  N      -4.312173      0.073967      0.649930
  C      -5.148404      0.797401     -0.155834
  N      -5.175899      0.791370     -1.463674
  C      -4.270570     -0.037841     -2.077072
  C      -4.249141     -0.146220     -3.483861
  C      -3.338252     -1.003223     -4.063095
  C      -2.454723     -1.741356     -3.239141
  N      -2.440551     -1.663905     -1.917753
  C      -3.336501     -0.825195     -1.347541
  C      -5.965049      0.139430      6.645044
  C      -5.502381     -1.301481      6.927815
  C      -6.409240     -2.365811      6.336484
  O      -6.201265     -2.455880      4.893700
  C      -7.153280     -2.020426      4.063223
  N      -8.233782     -1.413428      4.514614
  C      -9.142403     -0.990049      3.596155
  N      -9.077297     -1.099943      2.285231
  C      -7.964324     -1.735044      1.801616
  C      -7.795773     -1.909906      0.407182
  C      -6.677075     -2.575405     -0.047044
  C      -5.729915     -3.051529      0.889588
  N      -5.838865     -2.889845      2.202735
  C      -6.942772     -2.243704      2.653687
  H      -4.030126      5.231440      3.516776
  H      -4.726717      3.667854      3.067728
  H      -5.854064      5.398909      5.342410
  H      -6.388619      5.541957      3.669000
  H      -7.881624      4.087614      5.112138
  H      -6.552130      2.912546      5.256464
  H     -11.425959      2.456338      4.670632
  H     -11.779229      1.368420      0.189664
  H     -10.073465      1.265360     -1.680497
  H      -7.690301      1.795204     -1.169324
  H      -1.158069     -1.069760      4.786478
  H      -2.917963     -1.072309      4.665783
  H      -0.904857     -0.201942      2.558183
  H      -2.468433      0.631488      2.633380
  H      -3.674186     -1.586921      2.535387
  H      -2.109345     -2.426498      2.481505
  H      -5.866881      1.431163      0.379147
  H      -4.954674      0.447844     -4.067521
  H      -3.289308     -1.122817     -5.144058
  H      -1.731387     -2.427494     -3.689109
  H      -6.365066      0.203632      5.626545
  H      -6.795379      0.397822      7.328487
  H      -4.487374     -1.441913      6.520841
  H      -5.435532     -1.482176      8.012526
  H      -7.469458     -2.174145      6.541637
  H      -6.133037     -3.360221      6.710501
  H     -10.028316     -0.499558      4.009783
  H      -8.559124     -1.514972     -0.265220
  H      -6.509214     -2.737862     -1.112866
  H      -4.836968     -3.578275      0.538196
  N      -4.703342      1.048185      3.891503
  N      -5.346432      0.476014      3.058481
  H      -4.823469      0.269446      2.047066
98
Coordinates from ORCA-job orca E -6532.379888005707
  N      -3.721615      3.709937      4.910215
  Mo     -3.777743      1.782576      5.310333
  N      -4.933896      1.153276      6.766009
  C      -4.504428      1.393698      8.145066
  C      -3.617619      2.628142      8.194785
  N      -2.628899      2.580077      7.081396
  C      -2.121743      3.931298      6.711945
  C      -3.171451      4.649942      5.884008
  C      -1.506139      1.639249      7.357554
  C      -0.968760      1.116595      6.030861
  N      -2.111421      0.741284      5.202250
  H      -2.708778      5.507866      5.364374
  H      -3.965704      5.067786      6.530579
  H      -1.219762      3.780549      6.103576
  H      -1.840006      4.498544      7.614260
  H      -0.322886      0.244836      6.223215
  H      -0.340865      1.874530      5.527293
  H      -1.916545      0.798180      7.931871
  H      -0.729093      2.132467      7.965718
  H      -5.384578      1.554917      8.793073
  H      -3.971667      0.512817      8.551933
  H      -4.236911      3.523563      8.042726
  H      -3.102758      2.723870      9.165570
  C      -4.539305      4.346385      3.868209
  C      -5.905835      4.854010      4.347771
  C      -6.927267      3.761053      4.590896
  O      -7.284351      3.185772      3.301820
  C      -8.545115      2.756923      3.148098
  N      -9.391462      2.777654      4.158022
  C     -10.675054      2.401799      3.907400
  N     -11.196720      2.026503      2.758485
  C     -10.322803      1.977216      1.705846
  C     -10.786087      1.585891      0.427783
  C      -9.884108      1.523156     -0.610667
  C      -8.527795      1.838042     -0.365877
  N      -8.053292      2.221317      0.815433
  C      -8.941667      2.305436      1.837402
  C      -2.044681     -0.506076      4.438085
  C      -1.960491     -0.305923      2.910699
  C      -2.627017     -1.484513      2.218640
  O      -2.544494     -1.419283      0.768640
  C      -3.404837     -0.687210      0.080838
  N      -4.315747      0.096478      0.652097
  C      -5.156493      0.821929     -0.146157
  N      -5.188446      0.824545     -1.457396
  C      -4.281905      0.003457     -2.078861
  C      -4.262239     -0.092894     -3.490750
  C      -3.347399     -0.937115     -4.081985
  C      -2.457553     -1.675956     -3.265120
  N      -2.441887     -1.610851     -1.939716
  C      -3.341992     -0.784042     -1.356635
  C      -6.001290      0.163595      6.630856
  C      -5.534403     -1.271797      6.931455
  C      -6.431605     -2.350870      6.346689
  O      -6.205929     -2.475917      4.909445
  C      -7.144474     -2.051302      4.057607
  N      -8.235984     -1.445184      4.483532
  C      -9.127163     -1.029127      3.545356
  N      -9.035871     -1.146362      2.237076
  C      -7.910336     -1.777267      1.780155
  C      -7.708838     -1.950754      0.390491
  C      -6.570668     -2.600660     -0.040364
  C      -5.639186     -3.065084      0.914612
  N      -5.781661     -2.907828      2.225097
  C      -6.903286     -2.276578      2.653911
  H      -3.959106      5.193305      3.458000
  H      -4.686159      3.634047      3.044658
  H      -5.790023      5.428124      5.281021
  H      -6.309836      5.555859      3.600816
  H      -7.831860      4.147677      5.074639
  H      -6.525415      2.948829      5.221782
  H     -11.346575      2.434101      4.768481
  H     -11.842326      1.336589      0.305692
  H     -10.195958      1.227849     -1.614085
  H      -7.798301      1.764037     -1.178388
  H      -1.191055     -1.109195      4.790217
  H      -2.949177     -1.101391      4.661127
  H      -0.916431     -0.197276      2.580803
  H      -2.483846      0.626078      2.654353
  H      -3.681172     -1.587470      2.514594
  H      -2.117993     -2.427014      2.458706
  H      -5.872185      1.452781      0.394804
  H      -4.971725      0.501940     -4.067769
  H      -3.299815     -1.046477     -5.167422
  H      -1.727515     -2.348426     -3.725369
  H      -6.393417      0.216489      5.608370
  H      -6.838981      0.425492      7.304575
  H      -4.514748     -1.413333      6.533014
  H      -5.474194     -1.439192      8.018672
  H      -7.496282     -2.159971      6.532933
  H      -6.154692     -3.335847      6.745497
  H     -10.017873     -0.528650      3.936195
  H      -8.460133     -1.562624     -0.298083
  H      -6.375734     -2.758367     -1.102661
  H      -4.728472     -3.575705      0.581741
  N      -4.711755      1.033471      3.892472
  N      -5.357771      0.459122      3.063233
  H      -4.838547      0.255001      2.057720
98
Coordinates from ORCA-job orca E -6532.380139733109
  N      -3.713066      3.698584      4.883748
  Mo     -3.777473      1.773632      5.297722
  N      -4.935345      1.161308      6.759260
  C      -4.506179      1.414180      8.136032
  C      -3.614433      2.645145      8.172397
  N      -2.624212      2.578992      7.061366
  C      -2.107911      3.923403      6.680634
  C      -3.153754      4.642702      5.847993
  C      -1.508905      1.632166      7.345470
  C      -0.973453      1.097653      6.022498
  N      -2.116723      0.726330      5.191445
  H      -2.685318      5.492121      5.319603
  H      -3.942871      5.073287      6.492679
  H      -1.207633      3.761198      6.072686
  H      -1.821420      4.495648      7.578245
  H      -0.333643      0.222366      6.219804
  H      -0.340368      1.849245      5.515910
  H      -1.925434      0.798799      7.926559
  H      -0.728040      2.124426      7.949566
  H      -5.385779      1.585559      8.781748
  H      -3.976895      0.535360      8.551494
  H      -4.228018      3.541519      8.005937
  H      -3.100904      2.750836      9.142728
  C      -4.533379      4.330275      3.841281
  C      -5.895597      4.848356      4.321990
  C      -6.917750      3.761052      4.583946
  O      -7.276559      3.169872      3.303916
  C      -8.536040      2.733878      3.159193
  N      -9.378198      2.752053      4.174485
  C     -10.661698      2.371202      3.931250
  N     -11.186339      1.991789      2.784810
  C     -10.315759      1.944831      1.727252
  C     -10.780876      1.550316      0.451502
  C      -9.881564      1.490271     -0.591087
  C      -8.525356      1.808834     -0.352214
  N      -8.049634      2.194861      0.826655
  C      -8.935226      2.277874      1.851529
  C      -2.050950     -0.527161      4.435521
  C      -1.945961     -0.336103      2.907851
  C      -2.630006     -1.499219      2.205976
  O      -2.535827     -1.420952      0.757788
  C      -3.391733     -0.680197      0.072834
  N      -4.312189      0.087883      0.649438
  C      -5.146626      0.826311     -0.143997
  N      -5.162640      0.856611     -1.454021
  C      -4.242750      0.054338     -2.080587
  C      -4.201226     -0.007391     -3.492569
  C      -3.271522     -0.830857     -4.089663
  C      -2.388541     -1.584043     -3.278393
  N      -2.393736     -1.552013     -1.953248
  C      -3.308493     -0.745286     -1.364373
  C      -6.012860      0.181771      6.634051
  C      -5.556962     -1.255433      6.942430
  C      -6.467887     -2.329144      6.371271
  O      -6.246332     -2.460664      4.935188
  C      -7.185841     -2.041861      4.082521
  N      -8.278533     -1.435876      4.505544
  C      -9.173266     -1.033211      3.564445
  N      -9.085172     -1.164240      2.256906
  C      -7.957915     -1.795026      1.803308
  C      -7.759246     -1.984281      0.414949
  C      -6.619074     -2.633001     -0.010627
  C      -5.682550     -3.080008      0.948347
  N      -5.822815     -2.909214      2.257198
  C      -6.946180     -2.279269      2.680391
  H      -3.950940      5.171098      3.422179
  H      -4.685782      3.611752      3.024200
  H      -5.774712      5.433639      5.247029
  H      -6.300321      5.541020      3.567755
  H      -7.820548      4.155441      5.064845
  H      -6.514442      2.958271      5.225188
  H     -11.330031      2.396784      4.798584
  H     -11.836136      1.298101      0.332533
  H     -10.196402      1.193007     -1.592565
  H      -7.798020      1.738309     -1.167801
  H      -1.205161     -1.132506      4.802007
  H      -2.961422     -1.115564      4.651949
  H      -0.895688     -0.255188      2.590792
  H      -2.441674      0.607666      2.639806
  H      -3.686595     -1.589095      2.496506
  H      -2.137295     -2.451299      2.441860
  H      -5.872415      1.442180      0.401125
  H      -4.906344      0.597289     -4.065206
  H      -3.207191     -0.912627     -5.175334
  H      -1.647147     -2.240654     -3.743348
  H      -6.408851      0.232863      5.612909
  H      -6.844708      0.455261      7.309779
  H      -4.542068     -1.409829      6.538404
  H      -5.491326     -1.415105      8.030498
  H      -7.529522     -2.127020      6.560893
  H      -6.198886     -3.313921      6.775760
  H     -10.065413     -0.531708      3.953314
  H      -8.514886     -1.609966     -0.277016
  H      -6.426698     -2.802525     -1.071365
  H      -4.771050     -3.590298      0.620630
  N      -4.716356      1.020061      3.885760
  N      -5.365875      0.445930      3.058121
  H      -4.846586      0.240672      2.059563
98
Coordinates from ORCA-job orca E -6532.380281002508
  N      -3.702945      3.687925      4.868087
  Mo     -3.782129      1.765543      5.292296
  N      -4.945650      1.171489      6.758252
  C      -4.519915      1.438155      8.133079
  C      -3.619817      2.663537      8.157050
  N      -2.625630      2.574489      7.051312
  C      -2.092499      3.908632      6.659604
  C      -3.128799      4.633922      5.820925
  C      -1.523655      1.617367      7.346451
  C      -0.986242      1.068678      6.029885
  N      -2.127291      0.709374      5.189868
  H      -2.648418      5.470485      5.283119
  H      -3.910376      5.083076      6.462128
  H      -1.195202      3.729299      6.052404
  H      -1.798167      4.484841      7.552311
  H      -0.360718      0.184585      6.234730
  H      -0.338202      1.809291      5.525515
  H      -1.952004      0.792258      7.930639
  H      -0.739974      2.105247      7.950549
  H      -5.400315      1.623133      8.773938
  H      -3.998513      0.560665      8.560843
  H      -4.223997      3.562085      7.973250
  H      -3.110210      2.779223      9.128244
  C      -4.521045      4.316284      3.821998
  C      -5.876862      4.852202      4.301071
  C      -6.909910      3.778197      4.574728
  O      -7.276448      3.182685      3.299342
  C      -8.530897      2.732141      3.164958
  N      -9.365210      2.738359      4.187289
  C     -10.646219      2.346446      3.951748
  N     -11.175473      1.966576      2.807614
  C     -10.311503      1.929293      1.744069
  C     -10.778847      1.533767      0.469675
  C      -9.884268      1.483657     -0.577839
  C      -8.528678      1.810354     -0.345106
  N      -8.052191      2.196445      0.832277
  C      -8.933450      2.272643      1.860695
  C      -2.055281     -0.539914      4.428344
  C      -1.943794     -0.342138      2.902869
  C      -2.622568     -1.503814      2.193963
  O      -2.526195     -1.413426      0.747000
  C      -3.394747     -0.684234      0.063968
  N      -4.337986      0.053387      0.642521
  C      -5.183884      0.780699     -0.150595
  N      -5.187002      0.829166     -1.459857
  C      -4.237953      0.062280     -2.087882
  C      -4.172173      0.030125     -3.499774
  C      -3.212020     -0.757099     -4.097645
  C      -2.324211     -1.504602     -3.286931
  N      -2.350381     -1.498816     -1.962267
  C      -3.293724     -0.726170     -1.372800
  C      -6.026127      0.193687      6.641843
  C      -5.569675     -1.242336      6.955577
  C      -6.480998     -2.317445      6.388097
  O      -6.256681     -2.451380      4.953656
  C      -7.198335     -2.038819      4.100279
  N      -8.294582     -1.440697      4.523304
  C      -9.194601     -1.049513      3.582480
  N      -9.109518     -1.187006      2.275423
  C      -7.977865     -1.807942      1.821269
  C      -7.781445     -2.001645      0.433177
  C      -6.637707     -2.642416      0.007721
  C      -5.695710     -3.077684      0.966963
  N      -5.833692     -2.902552      2.275621
  C      -6.959779     -2.279084      2.698238
  H      -3.932803      5.148113      3.393103
  H      -4.679981      3.590690      3.011952
  H      -5.749346      5.445378      5.220052
  H      -6.275316      5.540908      3.539795
  H      -7.807550      4.186399      5.053663
  H      -6.514600      2.976354      5.222906
  H     -11.307357      2.359120      4.825431
  H     -11.832232      1.273474      0.355092
  H     -10.202486      1.186007     -1.577668
  H      -7.803587      1.747102     -1.163634
  H      -1.209950     -1.142731      4.797078
  H      -2.964662     -1.131677      4.637334
  H      -0.892740     -0.262912      2.590210
  H      -2.437445      0.602330      2.633859
  H      -3.677805     -1.603272      2.485538
  H      -2.123349     -2.454515      2.422141
  H      -5.934613      1.368376      0.392324
  H      -4.883011      0.628241     -4.071915
  H      -3.127562     -0.814217     -5.182964
  H      -1.561135     -2.134359     -3.752485
  H      -6.425589      0.240127      5.621768
  H      -6.854541      0.472237      7.319074
  H      -4.555829     -1.397045      6.549622
  H      -5.501916     -1.397510      8.043956
  H      -7.542500     -2.112838      6.575182
  H      -6.215086     -3.300866      6.796860
  H     -10.092345     -0.564132      3.970568
  H      -8.542752     -1.638980     -0.259086
  H      -6.447436     -2.814948     -1.052556
  H      -4.782168     -3.583563      0.639665
  N      -4.728888      1.012291      3.883603
  N      -5.388867      0.448849      3.055574
  H      -4.873322      0.239023      2.060264
98
Coordinates from ORCA-job orca E -6532.380411784237
  N      -3.686814      3.667203      4.835537
  Mo     -3.788049      1.750305      5.279706
  N      -4.961698      1.185504      6.751185
  C      -4.540058      1.467931      8.123637
  C      -3.626848      2.683387      8.132901
  N      -2.628935      2.564717      7.033336
  C      -2.075447      3.885531      6.626585
  C      -3.098698      4.615842      5.776642
  C      -1.542848      1.595256      7.343277
  C      -1.003815      1.028666      6.034998
  N      -2.142800      0.681426      5.186179
  H      -2.603349      5.437036      5.228992
  H      -3.873881      5.086695      6.410270
  H      -1.179998      3.685832      6.022967
  H      -1.774075      4.468615      7.512568
  H      -0.393236      0.136354      6.248724
  H      -0.340632      1.756717      5.532189
  H      -1.985100      0.780558      7.931490
  H      -0.755805      2.077665      7.947251
  H      -5.421005      1.671778      8.758004
  H      -4.030633      0.591271      8.567558
  H      -4.218435      3.585784      7.929487
  H      -3.120900      2.809875      9.104600
  C      -4.498514      4.296725      3.784275
  C      -5.844572      4.854181      4.266260
  C      -6.890389      3.795701      4.553635
  O      -7.267311      3.195682      3.283666
  C      -8.516309      2.725359      3.173307
  N      -9.330342      2.724877      4.212566
  C     -10.610762      2.316118      4.003858
  N     -11.158095      1.926673      2.871641
  C     -10.314644      1.893653      1.791591
  C     -10.801611      1.484421      0.528898
  C      -9.927546      1.436045     -0.534601
  C      -8.571082      1.779744     -0.330543
  N      -8.075824      2.181234      0.834217
  C      -8.937984      2.253299      1.879392
  C      -2.073015     -0.565200      4.420209
  C      -1.946976     -0.357272      2.897212
  C      -2.624230     -1.511076      2.175041
  O      -2.516842     -1.404097      0.730088
  C      -3.380496     -0.667045      0.049040
  N      -4.332482      0.057474      0.628788
  C      -5.173555      0.790846     -0.163687
  N      -5.160358      0.859415     -1.471486
  C      -4.196451      0.111746     -2.100314
  C      -4.106353      0.109120     -3.511240
  C      -3.127333     -0.654968     -4.108496
  C      -2.246117     -1.409744     -3.297535
  N      -2.296044     -1.432731     -1.974197
  C      -3.257108     -0.681948     -1.386035
  C      -6.050586      0.216155      6.645521
  C      -5.604865     -1.219195      6.977035
  C      -6.521346     -2.292831      6.416465
  O      -6.291872     -2.435896      4.984002
  C      -7.232128     -2.034058      4.123423
  N      -8.334664     -1.440646      4.536910
  C      -9.234273     -1.065423      3.588599
  N      -9.142464     -1.213817      2.283143
  C      -8.002946     -1.827627      1.838441
  C      -7.798810     -2.031832      0.452790
  C      -6.647162     -2.665522      0.037898
  C      -5.705202     -3.084263      1.005554
  N      -5.849970     -2.898836      2.312197
  C      -6.983983     -2.281581      2.724051
  H      -3.900685      5.118579      3.348984
  H      -4.666818      3.567433      2.979053
  H      -5.703470      5.453554      5.179757
  H      -6.238782      5.540928      3.500329
  H      -7.782347      4.219241      5.030327
  H      -6.503883      2.995273      5.209523
  H     -11.253869      2.325861      4.889802
  H     -11.853796      1.210204      0.436124
  H     -10.262570      1.125757     -1.525205
  H      -7.861838      1.716525     -1.161904
  H      -1.234484     -1.174264      4.793838
  H      -2.988391     -1.152168      4.617275
  H      -0.893215     -0.283793      2.593213
  H      -2.433367      0.590708      2.627571
  H      -3.680938     -1.610962      2.460484
  H      -2.128160     -2.465288      2.395451
  H      -5.930101      1.370857      0.379102
  H      -4.813381      0.711643     -4.083734
  H      -3.021958     -0.686825     -5.192786
  H      -1.467754     -2.021151     -3.762446
  H      -6.449375      0.254251      5.624798
  H      -6.876071      0.509846      7.319251
  H      -4.591839     -1.384062      6.574298
  H      -5.540427     -1.362476      8.067253
  H      -7.581461     -2.078553      6.598033
  H      -6.265117     -3.274839      6.834177
  H     -10.138461     -0.583608      3.968896
  H      -8.560988     -1.683795     -0.246400
  H      -6.451360     -2.845587     -1.020034
  H      -4.787211     -3.587538      0.687130
  N      -4.736753      0.993836      3.874350
  N      -5.397642      0.434715      3.044461
  H      -4.876890      0.223317      2.057236
98
Coordinates from ORCA-job orca E -6532.380520972749
  N      -3.677271      3.657930      4.820713
  Mo     -3.793832      1.744765      5.276645
  N      -4.975059      1.198973      6.751261
  C      -4.554866      1.488801      8.122352
  C      -3.631559      2.696334      8.125133
  N      -2.632529      2.560732      7.028667
  C      -2.066372      3.873231      6.613633
  C      -3.080478      4.606946      5.755868
  C      -1.556437      1.583603      7.346714
  C      -1.016421      1.007272      6.043624
  N      -2.153771      0.667173      5.189734
  H      -2.574884      5.418768      5.203584
  H      -3.852332      5.090671      6.383999
  H      -1.171240      3.662360      6.013045
  H      -1.761477      4.460706      7.495555
  H      -0.414734      0.110456      6.261659
  H      -0.343748      1.727675      5.542852
  H      -2.006982      0.773635      7.935205
  H      -0.767982      2.061502      7.952360
  H      -5.435521      1.704389      8.753568
  H      -4.054199      0.611717      8.575819
  H      -4.214921      3.602347      7.913554
  H      -3.126820      2.826482      9.096952
  C      -4.482290      4.289680      3.765429
  C      -5.822462      4.861527      4.245963
  C      -6.877599      3.814858      4.541561
  O      -7.259233      3.210009      3.275375
  C      -8.500065      2.716998      3.177045
  N      -9.304848      2.705705      4.223836
  C     -10.581104      2.279305      4.025615
  N     -11.133397      1.883708      2.898103
  C     -10.299569      1.861989      1.810778
  C     -10.791305      1.447506      0.551521
  C      -9.926059      1.412987     -0.519568
  C      -8.572405      1.773732     -0.326157
  N      -8.072952      2.180093      0.834689
  C      -8.927147      2.239150      1.887317
  C      -2.085136     -0.577207      4.420862
  C      -1.950440     -0.362888      2.899482
  C      -2.623738     -1.514027      2.169168
  O      -2.515613     -1.396709      0.724490
  C      -3.376928     -0.653725      0.047239
  N      -4.331255      0.065214      0.629087
  C      -5.174216      0.796906     -0.162680
  N      -5.158871      0.870088     -1.470415
  C      -4.188463      0.133002     -2.101516
  C      -4.091378      0.141373     -3.512986
  C      -3.105368     -0.612722     -4.111678
  C      -2.226117     -1.369679     -3.301082
  N      -2.282092     -1.402466     -1.977023
  C      -3.248186     -0.659488     -1.388103
  C      -6.065278      0.229774      6.651040
  C      -5.619844     -1.204509      6.989610
  C      -6.530457     -2.279554      6.421611
  O      -6.295526     -2.417262      4.988921
  C      -7.243161     -2.030418      4.127982
  N      -8.352746     -1.451377      4.542515
  C      -9.261187     -1.093148      3.596213
  N      -9.170113     -1.242922      2.291205
  C      -8.022811     -1.840176      1.844623
  C      -7.820930     -2.046235      0.459022
  C      -6.663594     -2.667399      0.041683
  C      -5.713334     -3.071616      1.007330
  N      -5.854598     -2.881937      2.313734
  C      -6.994721     -2.276874      2.728156
  H      -3.877198      5.104311      3.326895
  H      -4.656861      3.559345      2.963589
  H      -5.673532      5.465481      5.154501
  H      -6.212714      5.545738      3.476237
  H      -7.766840      4.250013      5.013261
  H      -6.500117      3.016618      5.204511
  H     -11.215826      2.279074      4.917616
  H     -11.840196      1.159013      0.468173
  H     -10.264981      1.099855     -1.507830
  H      -7.869335      1.720511     -1.163734
  H      -1.250407     -1.190370      4.796830
  H      -3.004141     -1.161177      4.610113
  H      -0.895259     -0.289804      2.599509
  H      -2.436195      0.585611      2.630801
  H      -3.680611     -1.617774      2.453670
  H      -2.124775     -2.468643      2.381736
  H      -5.934945      1.371562      0.379232
  H      -4.797762      0.743955     -4.085483
  H      -2.992663     -0.634532     -5.196458
  H      -1.443129     -1.974158     -3.767308
  H      -6.461952      0.261478      5.629032
  H      -6.891201      0.529599      7.321886
  H      -4.603394     -1.365775      6.593057
  H      -5.562599     -1.345964      8.080245
  H      -7.592164     -2.066863      6.598363
  H      -6.275881     -3.262867      6.837982
  H     -10.170936     -0.619265      3.977581
  H      -8.590014     -1.711032     -0.238407
  H      -6.469976     -2.849131     -1.016345
  H      -4.791065     -3.566594      0.686758
  N      -4.742895      0.988846      3.871688
  N      -5.402412      0.437668      3.035311
  H      -4.877129      0.221957      2.052363
98
Coordinates from ORCA-job orca E -6532.380629745327
  N      -3.670229      3.639377      4.794699
  Mo     -3.807661      1.732234      5.266917
  N      -4.996063      1.216704      6.749871
  C      -4.572250      1.516587      8.117142
  C      -3.631941      2.710300      8.108392
  N      -2.636367      2.549793      7.013009
  C      -2.052131      3.849109      6.583385
  C      -3.055122      4.588590      5.717543
  C      -1.574636      1.561149      7.341703
  C      -1.039728      0.966347      6.046319
  N      -2.178416      0.636241      5.191688
  H      -2.535684      5.384976      5.155520
  H      -3.818341      5.093285      6.339743
  H      -1.159467      3.621153      5.985009
  H      -1.738707      4.443142      7.457820
  H      -0.451723      0.063036      6.272578
  H      -0.354173      1.672276      5.543013
  H      -2.036356      0.760849      7.934810
  H      -0.781424      2.032392      7.945901
  H      -5.449701      1.750416      8.746586
  H      -4.083907      0.638318      8.582378
  H      -4.203530      3.623101      7.891008
  H      -3.124133      2.842288      9.078300
  C      -4.463600      4.274697      3.732788
  C      -5.793981      4.873220      4.206583
  C      -6.865677      3.848236      4.515047
  O      -7.254202      3.233376      3.256264
  C      -8.485615      2.717159      3.173549
  N      -9.279233      2.702033      4.227070
  C     -10.549683      2.253787      4.041608
  N     -11.106437      1.841867      2.922155
  C     -10.284082      1.825301      1.828440
  C     -10.781100      1.394729      0.575784
  C      -9.926091      1.368389     -0.502374
  C      -8.576907      1.754113     -0.322344
  N      -8.073163      2.175159      0.830767
  C      -8.917947      2.224595      1.891011
  C      -2.115348     -0.605189      4.417935
  C      -1.960020     -0.380016      2.900185
  C      -2.621087     -1.527428      2.151234
  O      -2.503254     -1.390180      0.708227
  C      -3.357937     -0.633960      0.037967
  N      -4.318597      0.072408      0.624353
  C      -5.160903      0.809649     -0.162045
  N      -5.140646      0.898227     -1.468131
  C      -4.160002      0.179778     -2.104467
  C      -4.054086      0.210610     -3.514848
  C      -3.055784     -0.523800     -4.117892
  C      -2.174789     -1.284756     -3.312442
  N      -2.240475     -1.339899     -1.989053
  C      -3.217381     -0.614881     -1.396395
  C      -6.085713      0.245451      6.663262
  C      -5.637097     -1.185211      7.018594
  C      -6.540216     -2.265612      6.449246
  O      -6.302809     -2.394432      5.015740
  C      -7.265714     -2.034499      4.158260
  N      -8.388548     -1.485364      4.577140
  C      -9.311072     -1.151783      3.635785
  N      -9.221378     -1.298811      2.330860
  C      -8.059807     -1.863800      1.879628
  C      -7.858927     -2.064660      0.493518
  C      -6.687970     -2.659095      0.070953
  C      -5.724159     -3.041420      1.032532
  N      -5.863406     -2.852839      2.339142
  C      -7.016680     -2.273782      2.758420
  H      -3.845373      5.075592      3.287347
  H      -4.651368      3.540609      2.938132
  H      -5.632951      5.485026      5.107040
  H      -6.175487      5.553804      3.429567
  H      -7.749697      4.305815      4.976405
  H      -6.505201      3.054101      5.191355
  H     -11.175075      2.249544      4.938041
  H     -11.825457      1.086437      0.504935
  H     -10.268351      1.043957     -1.486037
  H      -7.880509      1.706990     -1.165328
  H      -1.290871     -1.230538      4.799095
  H      -3.043754     -1.179534      4.591867
  H      -0.901156     -0.301994      2.613229
  H      -2.446808      0.568606      2.633204
  H      -3.680717     -1.638392      2.425511
  H      -2.117676     -2.481676      2.354535
  H      -5.926901      1.374429      0.382766
  H      -4.762273      0.814391     -4.084427
  H      -2.934198     -0.526604     -5.202350
  H      -1.381868     -1.873590     -3.782926
  H      -6.481679      0.263313      5.640575
  H      -6.911448      0.554766      7.330642
  H      -4.616713     -1.343058      6.629863
  H      -5.587129     -1.318985      8.110353
  H      -7.603663     -2.057733      6.624575
  H      -6.283003     -3.250053      6.863353
  H     -10.231557     -0.705888      4.019836
  H      -8.639172     -1.748276     -0.200385
  H      -6.494843     -2.838122     -0.987888
  H      -4.792205     -3.517652      0.707905
  N      -4.760046      0.979205      3.861938
  N      -5.416100      0.436192      3.016629
  H      -4.882615      0.210714      2.041117
98
Coordinates from ORCA-job orca E -6532.380746241677
  N      -3.655526      3.627978      4.774407
  Mo     -3.823403      1.729055      5.264139
  N      -5.022144      1.247231      6.751748
  C      -4.597872      1.556422      8.116545
  C      -3.635829      2.732576      8.098145
  N      -2.642900      2.544012      7.005384
  C      -2.035978      3.828306      6.564347
  C      -3.025273      4.575394      5.689406
  C      -1.600264      1.539578      7.347201
  C      -1.068264      0.925260      6.060237
  N      -2.207548      0.611277      5.201173
  H      -2.490860      5.356727      5.120476
  H      -3.780547      5.099765      6.304858
  H      -1.144992      3.582255      5.970874
  H      -1.715187      4.426825      7.433102
  H      -0.499791      0.012356      6.297528
  H      -0.364294      1.612652      5.556385
  H      -2.079448      0.751223      7.942579
  H      -0.802807      2.000242      7.954119
  H      -5.473333      1.813108      8.740277
  H      -4.127285      0.675636      8.595651
  H      -4.191997      3.653949      7.875218
  H      -3.125886      2.863959      9.067064
  C      -4.434212      4.267942      3.704822
  C      -5.755333      4.893707      4.169474
  C      -6.843248      3.890283      4.491324
  O      -7.237152      3.262506      3.241335
  C      -8.451980      2.707029      3.183450
  N      -9.225188      2.668139      4.253334
  C     -10.484326      2.178783      4.091111
  N     -11.048462      1.751278      2.981249
  C     -10.246308      1.759033      1.871945
  C     -10.752099      1.313702      0.627793
  C      -9.914729      1.311020     -0.465072
  C      -8.574355      1.732879     -0.307234
  N      -8.063656      2.169275      0.837182
  C      -8.892185      2.197617      1.910897
  C      -2.150360     -0.622379      4.413897
  C      -1.977339     -0.384110      2.900748
  C      -2.619949     -1.532491      2.136817
  O      -2.496218     -1.382508      0.695046
  C      -3.346986     -0.620349      0.026684
  N      -4.315522      0.076368      0.611798
  C      -5.152800      0.819398     -0.173749
  N      -5.122303      0.921381     -1.479082
  C      -4.132640      0.214948     -2.115064
  C      -4.011836      0.264715     -3.524176
  C      -3.003128     -0.456342     -4.126729
  C      -2.128076     -1.223744     -3.322019
  N      -2.207416     -1.296655     -1.999227
  C      -3.193387     -0.583563     -1.407158
  C      -6.110754      0.273319      6.672472
  C      -5.660177     -1.156048      7.032928
  C      -6.553831     -2.237246      6.451495
  O      -6.312580     -2.351339      5.016302
  C      -7.291199     -2.024020      4.163338
  N      -8.426752     -1.508535      4.589789
  C      -9.367949     -1.207550      3.657072
  N      -9.284697     -1.356680      2.351836
  C      -8.110016     -1.886582      1.892093
  C      -7.917067     -2.086995      0.504955
  C      -6.735770     -2.651843      0.072807
  C      -5.753528     -3.003833      1.025914
  N      -5.883714     -2.811526      2.332690
  C      -7.047233     -2.261445      2.762155
  H      -3.801328      5.053957      3.253561
  H      -4.635214      3.530752      2.916882
  H      -5.583966      5.514083      5.062051
  H      -6.125945      5.570337      3.383931
  H      -7.722092      4.370111      4.940511
  H      -6.499643      3.103440      5.183881
  H     -11.093884      2.154392      4.999613
  H     -11.787668      0.975078      0.576366
  H     -10.262976      0.977311     -1.443466
  H      -7.890590      1.704028     -1.161728
  H      -1.336319     -1.260791      4.795679
  H      -3.086640     -1.187240      4.572480
  H      -0.916351     -0.293568      2.626027
  H      -2.471395      0.560894      2.636557
  H      -3.680058     -1.654553      2.403754
  H      -2.106951     -2.482591      2.333840
  H      -5.922105      1.379417      0.370610
  H      -4.715369      0.872021     -4.094209
  H      -2.868868     -0.443705     -5.210481
  H      -1.328072     -1.802412     -3.792545
  H      -6.504520      0.283784      5.648546
  H      -6.937102      0.587577      7.336888
  H      -4.634729     -1.306865      6.653861
  H      -5.621756     -1.291750      8.124628
  H      -7.619006     -2.036433      6.624680
  H      -6.293287     -3.224214      6.857549
  H     -10.298758     -0.787683      4.047933
  H      -8.712394     -1.795382     -0.181892
  H      -6.548953     -2.832050     -0.986933
  H      -4.813483     -3.458187      0.693251
  N      -4.777156      0.981293      3.857451
  N      -5.425426      0.449408      2.999320
  H      -4.879179      0.210640      2.033168
98
Coordinates from ORCA-job orca E -6532.380894118809
  N      -3.646951      3.614269      4.747744
  Mo     -3.837144      1.722634      5.254188
  N      -5.040029      1.269155      6.747544
  C      -4.612014      1.587549      8.108818
  C      -3.632868      2.749335      8.079066
  N      -2.644624      2.538089      6.986868
  C      -2.021745      3.810043      6.534350
  C      -3.002707      4.561721      5.653668
  C      -1.615074      1.523221      7.339024
  C      -1.090547      0.889768      6.058438
  N      -2.233629      0.585093      5.201920
  H      -2.458776      5.330106      5.076112
  H      -3.749827      5.102435      6.264905
  H      -1.133312      3.548498      5.943673
  H      -1.693651      4.412490      7.397733
  H      -0.536599     -0.029592      6.306719
  H      -0.374820      1.560756      5.548440
  H      -2.105503      0.747791      7.942040
  H      -0.812463      1.978721      7.942954
  H      -5.484259      1.864049      8.728631
  H      -4.154884      0.705137      8.597943
  H      -4.177042      3.677144      7.852762
  H      -3.119021      2.879956      9.046107
  C      -4.413290      4.255380      3.671120
  C      -5.725228      4.908335      4.125186
  C      -6.825393      3.925315      4.465178
  O      -7.221293      3.275724      3.228110
  C      -8.425229      2.696392      3.191590
  N      -9.184065      2.653269      4.270921
  C     -10.434464      2.136437      4.127402
  N     -11.002440      1.687041      3.028079
  C     -10.214045      1.699611      1.909594
  C     -10.725123      1.232250      0.675442
  C      -9.900150      1.236805     -0.427072
  C      -8.567114      1.687615     -0.288230
  N      -8.052323      2.143927      0.846510
  C      -8.869499      2.165828      1.929071
  C      -2.183150     -0.645604      4.409373
  C      -1.985758     -0.401897      2.900736
  C      -2.613550     -1.547276      2.120122
  O      -2.474634     -1.381907      0.681307
  C      -3.318666     -0.610090      0.015510
  N      -4.297876      0.071661      0.601257
  C      -5.125882      0.830324     -0.179086
  N      -5.081053      0.958013     -1.481718
  C      -4.081531      0.266073     -2.118588
  C      -3.945086      0.343142     -3.524408
  C      -2.925263     -0.360939     -4.128539
  C      -2.054066     -1.138590     -3.329297
  N      -2.149015     -1.238441     -2.009474
  C      -3.146998     -0.543189     -1.415334
  C      -6.128824      0.294964      6.678557
  C      -5.678888     -1.133084      7.044794
  C      -6.574023     -2.212694      6.465320
  O      -6.341673     -2.314714      5.027382
  C      -7.340169     -2.021361      4.184553
  N      -8.488138     -1.544450      4.622585
  C      -9.449653     -1.276641      3.700571
  N      -9.375036     -1.422349      2.394207
  C      -8.187592     -1.911663      1.922810
  C      -8.002416     -2.104469      0.533594
  C      -6.806941     -2.629343      0.089083
  C      -5.804133     -2.949431      1.031768
  N      -5.927230     -2.762482      2.339660
  C      -7.103666     -2.250915      2.781669
  H      -3.767369      5.025276      3.211125
  H      -4.628565      3.512264      2.892235
  H      -5.545485      5.540787      5.007708
  H      -6.085875      5.577546      3.328844
  H      -7.699736      4.426851      4.900014
  H      -6.494324      3.151243      5.177597
  H     -11.033350      2.108963      5.042181
  H     -11.753796      0.871656      0.639409
  H     -10.252136      0.887784     -1.398838
  H      -7.892459      1.665826     -1.150254
  H      -1.383742     -1.298066      4.798353
  H      -3.129498     -1.196596      4.553331
  H      -0.920772     -0.305424      2.644686
  H      -2.479022      0.543165      2.634292
  H      -3.675992     -1.675585      2.373691
  H      -2.097398     -2.495925      2.314831
  H      -5.903067      1.377428      0.367710
  H      -4.645026      0.958036     -4.091103
  H      -2.779168     -0.327101     -5.209838
  H      -1.244231     -1.702118     -3.801481
  H      -6.525629      0.299862      5.655650
  H      -6.952162      0.614351      7.343785
  H      -4.653056     -1.285591      6.668687
  H      -5.643309     -1.267203      8.136842
  H      -7.637933     -2.015358      6.646806
  H      -6.308521     -3.201428      6.863731
  H     -10.388329     -0.884953      4.101361
  H      -8.814081     -1.838298     -0.144557
  H      -6.624471     -2.803673     -0.972395
  H      -4.853233     -3.373109      0.689335
  N      -4.793575      0.977126      3.847517
  N      -5.435196      0.449659      2.981435
  H      -4.880514      0.202076      2.024219
98
Coordinates from ORCA-job orca E -6532.381067769090
  N      -3.644781      3.605726      4.722709
  Mo     -3.854540      1.721302      5.243474
  N      -5.055981      1.289509      6.742305
  C      -4.621528      1.613205      8.100180
  C      -3.626742      2.762038      8.059860
  N      -2.645777      2.534641      6.964751
  C      -2.012444      3.797907      6.504159
  C      -2.990003      4.553163      5.622813
  C      -1.624060      1.512415      7.322353
  C      -1.113137      0.859855      6.044962
  N      -2.265346      0.561039      5.199779
  H      -2.442158      5.313099      5.037711
  H      -3.730096      5.103863      6.233248
  H      -1.127313      3.524599      5.914198
  H      -1.677781      4.401451      7.364392
  H      -0.571228     -0.064686      6.304270
  H      -0.390682      1.514762      5.522597
  H      -2.120799      0.750899      7.937589
  H      -0.814565      1.966596      7.917901
  H      -5.489282      1.908237      8.717527
  H      -4.176552      0.727562      8.593949
  H      -4.160546      3.696027      7.835871
  H      -3.106835      2.887531      9.024500
  C      -4.395828      4.247012      3.637593
  C      -5.697449      4.931162      4.077551
  C      -6.810676      3.970933      4.439858
  O      -7.203917      3.287397      3.221246
  C      -8.399619      2.690848      3.203803
  N      -9.147838      2.646179      4.290058
  C     -10.388547      2.102954      4.163041
  N     -10.955518      1.629892      3.073384
  C     -10.176689      1.645157      1.947867
  C     -10.687673      1.151290      0.724338
  C      -9.871091      1.158958     -0.384666
  C      -8.546991      1.639312     -0.262863
  N      -8.032358      2.118631      0.862442
  C      -8.842409      2.137632      1.950652
  C      -2.228411     -0.668678      4.405724
  C      -2.002272     -0.427470      2.901871
  C      -2.620289     -1.567410      2.106833
  O      -2.460220     -1.389968      0.672046
  C      -3.289808     -0.603198      0.005133
  N      -4.276870      0.071318      0.587773
  C      -5.083557      0.857262     -0.188622
  N      -5.014245      1.017087     -1.486832
  C      -4.011442      0.326035     -2.120619
  C      -3.853499      0.428190     -3.521645
  C      -2.831081     -0.273512     -4.124045
  C      -1.975155     -1.071274     -3.328750
  N      -2.090799     -1.195736     -2.013825
  C      -3.094733     -0.506979     -1.420557
  C      -6.141092      0.311445      6.682733
  C      -5.684043     -1.114321      7.046781
  C      -6.580782     -2.193390      6.471547
  O      -6.366646     -2.273740      5.029613
  C      -7.390294     -2.022410      4.205233
  N      -8.550697     -1.597752      4.664424
  C      -9.540204     -1.374492      3.760545
  N      -9.484032     -1.519454      2.452301
  C      -8.283662     -1.951932      1.959484
  C      -8.115298     -2.134684      0.566315
  C      -6.903880     -2.599631      0.100274
  C      -5.869909     -2.871132      1.024603
  N      -5.978262     -2.693169      2.334793
  C      -7.169092     -2.239396      2.798633
  H      -3.734871      4.997866      3.167966
  H      -4.627111      3.496301      2.869671
  H      -5.510513      5.579459      4.947786
  H      -6.044567      5.590452      3.266666
  H      -7.680978      4.497597      4.853120
  H      -6.492195      3.216914      5.180058
  H     -10.979938      2.072193      5.083479
  H     -11.708405      0.768064      0.700849
  H     -10.223232      0.790130     -1.348955
  H      -7.879086      1.621973     -1.129763
  H      -1.452168     -1.341578      4.805866
  H      -3.189615     -1.195696      4.535170
  H      -0.932195     -0.330439      2.669723
  H      -2.487596      0.520558      2.628961
  H      -3.686031     -1.695325      2.344597
  H      -2.107738     -2.517415      2.304418
  H      -5.863743      1.398835      0.359810
  H      -4.540305      1.059933     -4.085775
  H      -2.671535     -0.222926     -5.201531
  H      -1.161416     -1.630263     -3.798981
  H      -6.546209      0.314713      5.663095
  H      -6.959835      0.627383      7.354503
  H      -4.658706     -1.266371      6.670774
  H      -5.647487     -1.251183      8.138678
  H      -7.642906     -2.006201      6.670343
  H      -6.301609     -3.183970      6.855819
  H     -10.486413     -1.025262      4.179759
  H      -8.951696     -1.907104     -0.096256
  H      -6.731203     -2.764231     -0.964150
  H      -4.906706     -3.248085      0.664742
  N      -4.812871      0.978766      3.833978
  N      -5.444038      0.451302      2.960506
  H      -4.877105      0.198327      2.015774
98
Coordinates from ORCA-job orca E -6532.381169207483
  N      -3.636556      3.607262      4.713624
  Mo     -3.862543      1.726306      5.240147
  N      -5.069761      1.302693      6.734583
  C      -4.638774      1.626762      8.093745
  C      -3.636084      2.769514      8.053201
  N      -2.652424      2.534316      6.961093
  C      -2.009872      3.793643      6.500758
  C      -2.980597      4.553325      5.615347
  C      -1.637145      1.506826      7.323977
  C      -1.129526      0.844733      6.049515
  N      -2.283117      0.552290      5.203286
  H      -2.427449      5.309701      5.030216
  H      -3.720072      5.108022      6.222782
  H      -1.125130      3.512612      5.913686
  H      -1.674033      4.395119      7.362072
  H      -0.597956     -0.084256      6.315373
  H      -0.399644      1.490449      5.525606
  H      -2.139840      0.752332      7.943214
  H      -0.825379      1.959813      7.917611
  H      -5.507044      1.930746      8.705971
  H      -4.202396      0.738675      8.590318
  H      -4.162483      3.706311      7.824706
  H      -3.118903      2.893108      9.019723
  C      -4.376129      4.248943      3.620861
  C      -5.670892      4.950820      4.054410
  C      -6.789948      4.003899      4.432175
  O      -7.184305      3.301007      3.225714
  C      -8.375544      2.693242      3.231488
  N      -9.109040      2.656076      4.327574
  C     -10.348059      2.103575      4.223557
  N     -10.926424      1.614542      3.146897
  C     -10.161867      1.621574      2.010988
  C     -10.685127      1.109764      0.800331
  C      -9.883353      1.111539     -0.319910
  C      -8.560978      1.603297     -0.222258
  N      -8.034592      2.098630      0.890567
  C      -8.830429      2.123221      1.989630
  C      -2.251583     -0.674323      4.404447
  C      -2.007457     -0.432019      2.903750
  C      -2.621412     -1.566999      2.099758
  O      -2.450241     -1.384140      0.667658
  C      -3.276854     -0.594497     -0.000043
  N      -4.265249      0.077455      0.583133
  C      -5.067974      0.869361     -0.192315
  N      -4.993428      1.037656     -1.490298
  C      -3.991306      0.345135     -2.123765
  C      -3.830467      0.451331     -3.524699
  C      -2.810394     -0.253248     -4.127324
  C      -1.957830     -1.056341     -3.332396
  N      -2.075572     -1.183686     -2.018146
  C      -3.078381     -0.493600     -1.424450
  C      -6.158531      0.328937      6.670407
  C      -5.706361     -1.098766      7.030678
  C      -6.605930     -2.175627      6.455454
  O      -6.389955     -2.258956      5.013837
  C      -7.411758     -2.023671      4.183508
  N      -8.579935     -1.609624      4.634529
  C      -9.567303     -1.404637      3.723947
  N      -9.503838     -1.560494      2.417080
  C      -8.294975     -1.979475      1.932357
  C      -8.117379     -2.168913      0.540696
  C      -6.896669     -2.615454      0.083397
  C      -5.862701     -2.864287      1.014115
  N      -5.980291     -2.681393      2.322909
  C      -7.180258     -2.245046      2.778600
  H      -3.705293      4.988360      3.146849
  H      -4.614459      3.494628      2.858188
  H      -5.478321      5.608393      4.916088
  H      -6.012095      5.602762      3.235806
  H      -7.657862      4.541861      4.835732
  H      -6.474534      3.262391      5.185803
  H     -10.926856      2.080022      5.151791
  H     -11.703511      0.719916      0.793700
  H     -10.246389      0.729279     -1.274833
  H      -7.905068      1.582703     -1.098841
  H      -1.488119     -1.358008      4.810978
  H      -3.220325     -1.190266      4.522735
  H      -0.933866     -0.337726      2.686409
  H      -2.484302      0.519342      2.626159
  H      -3.688737     -1.694070      2.330457
  H      -2.113052     -2.519076      2.298169
  H      -5.851245      1.406974      0.356072
  H      -4.514816      1.087862     -4.087814
  H      -2.650577     -0.201444     -5.204599
  H      -1.145075     -1.617150     -3.802008
  H      -6.564120      0.338897      5.650792
  H      -6.976483      0.643190      7.343815
  H      -4.681234     -1.256402      6.657047
  H      -5.671970     -1.236884      8.122725
  H      -7.667495     -1.987025      6.654172
  H      -6.327753     -3.165604      6.841265
  H     -10.519868     -1.064799      4.136976
  H      -8.954734     -1.960042     -0.126660
  H      -6.716024     -2.782282     -0.979258
  H      -4.892468     -3.226762      0.660494
  N      -4.821090      0.986462      3.829217
  N      -5.450711      0.456170      2.956262
  H      -4.883183      0.207638      2.014776
98
Coordinates from ORCA-job orca E -6532.381362167695
  N      -3.624588      3.606259      4.694203
  Mo     -3.881073      1.732196      5.232242
  N      -5.095825      1.329449      6.724465
  C      -4.665609      1.655644      8.083559
  C      -3.647290      2.784931      8.038639
  N      -2.663289      2.532131      6.949838
  C      -2.003892      3.782143      6.486079
  C      -2.962607      4.549011      5.595489
  C      -1.659969      1.495387      7.319421
  C      -1.161932      0.816105      6.050214
  N      -2.319517      0.533916      5.206562
  H      -2.400318      5.297662      5.009365
  H      -3.698843      5.112031      6.198706
  H      -1.122316      3.486250      5.901689
  H      -1.662696      4.382064      7.346263
  H      -0.646490     -0.119822      6.323641
  H      -0.421655      1.446351      5.522529
  H      -2.170324      0.751989      7.945841
  H      -0.842568      1.945777      7.906887
  H      -5.531287      1.977924      8.689932
  H      -4.244904      0.763838      8.586490
  H      -4.159376      3.727284      7.802100
  H      -3.131983      2.906599      9.006224
  C      -4.342412      4.250336      3.588099
  C      -5.621581      4.986226      4.011278
  C      -6.754788      4.066054      4.413378
  O      -7.153197      3.333673      3.225625
  C      -8.327851      2.696249      3.266585
  N      -9.034819      2.655579      4.379589
  C     -10.261696      2.069813      4.311524
  N     -10.852450      1.553463      3.254705
  C     -10.113565      1.564283      2.101302
  C     -10.649085      1.022072      0.909607
  C      -9.872622      1.029360     -0.227912
  C      -8.560845      1.554926     -0.166986
  N      -8.022716      2.078467      0.927104
  C      -8.794935      2.097511      2.042916
  C      -2.298131     -0.687936      4.403354
  C      -2.025593     -0.441212      2.908649
  C      -2.633954     -1.566641      2.088782
  O      -2.445055     -1.371721      0.661004
  C      -3.260686     -0.571467     -0.008529
  N      -4.250526      0.100598      0.571533
  C      -5.039514      0.903269     -0.207491
  N      -4.946706      1.085264     -1.503341
  C      -3.941559      0.392362     -2.131433
  C      -3.761809      0.510932     -3.529904
  C      -2.741367     -0.197530     -4.126877
  C      -1.906251     -1.015645     -3.328376
  N      -2.040761     -1.153100     -2.016866
  C      -3.044411     -0.459742     -1.428966
  C      -6.187762      0.358967      6.661255
  C      -5.735927     -1.070527      7.013006
  C      -6.635501     -2.144556      6.432352
  O      -6.422621     -2.217829      4.989968
  C      -7.454817     -2.020457      4.163036
  N      -8.635382     -1.646199      4.618079
  C      -9.636597     -1.491916      3.712162
  N      -9.577557     -1.666462      2.407603
  C      -8.355388     -2.037318      1.917447
  C      -8.181539     -2.238611      0.526409
  C      -6.946338     -2.635166      0.063789
  C      -5.894387     -2.825976      0.988705
  N      -6.008657     -2.631799      2.296164
  C      -7.222851     -2.242386      2.757284
  H      -3.652993      4.968329      3.107259
  H      -4.594570      3.492209      2.833925
  H      -5.414917      5.658673      4.857983
  H      -5.951809      5.626302      3.178889
  H      -7.617666      4.626204      4.797505
  H      -6.450121      3.343989      5.190688
  H     -10.817542      2.043885      5.253075
  H     -11.656673      0.605213      0.929989
  H     -10.247421      0.623254     -1.168339
  H      -7.925042      1.539087     -1.058158
  H      -1.556705     -1.389503      4.819845
  H      -3.279287     -1.183957      4.501897
  H      -0.947365     -0.352658      2.711752
  H      -2.490385      0.514802      2.626344
  H      -3.704295     -1.691686      2.308188
  H      -2.132216     -2.523095      2.284430
  H      -5.828550      1.438598      0.334451
  H      -4.434304      1.158801     -4.094798
  H      -2.568464     -0.137875     -5.201957
  H      -1.093017     -1.580424     -3.792609
  H      -6.599332      0.376052      5.643950
  H      -7.001087      0.670346      7.341445
  H      -4.710413     -1.228181      6.640441
  H      -5.703213     -1.214327      8.104406
  H      -7.696869     -1.958699      6.634820
  H      -6.355381     -3.136134      6.812258
  H     -10.598173     -1.182869      4.128841
  H      -9.034090     -2.079443     -0.135156
  H      -6.767667     -2.807244     -0.998289
  H      -4.913519     -3.152319      0.630168
  N      -4.840566      0.995845      3.818765
  N      -5.463148      0.463745      2.941320
  H      -4.889709      0.217173      2.008545
98
Coordinates from ORCA-job orca E -6532.381627538288
  N      -3.609538      3.608468      4.670769
  Mo     -3.904416      1.741726      5.220302
  N      -5.127284      1.362050      6.709785
  C      -4.696149      1.687689      8.069058
  C      -3.661695      2.801880      8.021007
  N      -2.677572      2.530399      6.935555
  C      -1.998829      3.770532      6.469468
  C      -2.942904      4.546164      5.573319
  C      -1.687504      1.483131      7.309747
  C      -1.202007      0.788274      6.044273
  N      -2.365077      0.516201      5.205342
  H      -2.370698      5.288417      4.989132
  H      -3.677132      5.115921      6.172311
  H      -1.121382      3.458042      5.887453
  H      -1.651661      4.367633      7.328915
  H      -0.701080     -0.154232      6.320944
  H      -0.453670      1.404924      5.512675
  H      -2.204501      0.749659      7.942796
  H      -0.862580      1.929616      7.889460
  H      -5.557573      2.028172      8.671293
  H      -4.291170      0.791546      8.576623
  H      -4.157871      3.750018      7.774557
  H      -3.148613      2.921830      8.989570
  C      -4.301572      4.255841      3.549317
  C      -5.562175      5.029135      3.959560
  C      -6.707895      4.137962      4.391768
  O      -7.112422      3.371360      3.226356
  C      -8.260862      2.693516      3.309063
  N      -8.932888      2.641004      4.443515
  C     -10.138768      2.007911      4.419028
  N     -10.741872      1.460128      3.385585
  C     -10.037046      1.484264      2.209873
  C     -10.583941      0.907732      1.039991
  C      -9.840219      0.929730     -0.118940
  C      -8.546727      1.501282     -0.101537
  N      -7.998075      2.058008      0.970728
  C      -8.739398      2.062115      2.107011
  C      -2.356691     -0.702804      4.401892
  C      -2.052686     -0.453697      2.913436
  C      -2.661615     -1.563519      2.073473
  O      -2.450412     -1.353663      0.651159
  C      -3.246499     -0.534520     -0.020541
  N      -4.233279      0.145311      0.554635
  C      -4.999407      0.963183     -0.231064
  N      -4.881299      1.157408     -1.523355
  C      -3.875888      0.458602     -2.143383
  C      -3.669399      0.590499     -3.537695
  C      -2.651839     -0.128886     -4.125818
  C      -1.846577     -0.971077     -3.321865
  N      -2.005209     -1.119312     -2.014289
  C      -3.005465     -0.414135     -1.435589
  C      -6.226343      0.399312      6.647706
  C      -5.777440     -1.033489      6.989230
  C      -6.681158     -2.104065      6.407560
  O      -6.473981     -2.172139      4.964655
  C      -7.518774     -2.022360      4.143728
  N      -8.711013     -1.694456      4.605629
  C      -9.727368     -1.603353      3.707921
  N      -9.674289     -1.805375      2.407897
  C      -8.439265     -2.117454      1.908804
  C      -8.270238     -2.333658      0.519265
  C      -7.020129     -2.665002      0.046072
  C      -5.948369     -2.781012      0.960505
  N      -6.058207     -2.573385      2.266174
  C      -7.287302     -2.244370      2.736984
  H      -3.590739      4.948371      3.061906
  H      -4.567697      3.495093      2.803843
  H      -5.338263      5.720448      4.786231
  H      -5.883419      5.651364      3.110142
  H      -7.566194      4.719136      4.755397
  H      -6.411114      3.439262      5.193903
  H     -10.664341      1.972733      5.377525
  H     -11.573950      0.453221      1.092415
  H     -10.226516      0.496604     -1.042490
  H      -7.937252      1.496632     -1.010763
  H      -1.639861     -1.422292      4.830391
  H      -3.350246     -1.176719      4.479057
  H      -0.969502     -0.379684      2.736541
  H      -2.498332      0.510069      2.626972
  H      -3.736786     -1.679491      2.279065
  H      -2.174089     -2.528930      2.263471
  H      -5.792882      1.502165      0.299701
  H      -4.321763      1.256130     -4.104929
  H      -2.458977     -0.060004     -5.197346
  H      -1.036123     -1.546785     -3.778410
  H      -6.646373      0.426540      5.633857
  H      -7.032409      0.709775      7.337160
  H      -4.753590     -1.193218      6.612391
  H      -5.741041     -1.181766      8.079854
  H      -7.741716     -1.916640      6.614059
  H      -6.402445     -3.097135      6.785448
  H     -10.697544     -1.322601      4.129129
  H      -9.138579     -2.237231     -0.132804
  H      -6.844876     -2.842952     -1.015797
  H      -4.956263     -3.060690      0.592885
  N      -4.862467      1.008231      3.803480
  N      -5.474247      0.471669      2.920279
  H      -4.894571      0.232483      1.996510
98
Coordinates from ORCA-job orca E -6532.381798710866
  N      -3.598874      3.613011      4.659890
  Mo     -3.920529      1.750037      5.214403
  N      -5.146752      1.381585      6.702339
  C      -4.712791      1.703030      8.061833
  C      -3.671440      2.809778      8.014023
  N      -2.687708      2.529058      6.929725
  C      -1.997223      3.763993      6.463878
  C      -2.931927      4.546336      5.565360
  C      -1.705150      1.475421      7.304045
  C      -1.229245      0.774551      6.038466
  N      -2.397180      0.507130      5.204808
  H      -2.353981      5.287526      4.985996
  H      -3.666717      5.117514      6.162396
  H      -1.123298      3.441610      5.881954
  H      -1.645818      4.357711      7.323588
  H      -0.733247     -0.170880      6.312345
  H      -0.479530      1.386508      5.504110
  H      -2.224216      0.745687      7.939920
  H      -0.874452      1.918412      7.878032
  H      -5.570835      2.049508      8.665276
  H      -4.313082      0.803991      8.568174
  H      -4.159467      3.760796      7.762019
  H      -3.159355      2.928779      8.982818
  C      -4.271116      4.262741      3.526657
  C      -5.519750      5.061224      3.923300
  C      -6.674945      4.191751      4.374619
  O      -7.088372      3.407471      3.222351
  C      -8.218888      2.705480      3.325325
  N      -8.871257      2.641934      4.470490
  C     -10.060706      1.977316      4.467229
  N     -10.666604      1.411444      3.445651
  C      -9.981618      1.448902      2.258336
  C     -10.531762      0.856351      1.098058
  C      -9.805568      0.891369     -0.071273
  C      -8.526110      1.492308     -0.074652
  N      -7.975434      2.067319      0.987084
  C      -8.699335      2.056398      2.133796
  C      -2.398272     -0.710485      4.402092
  C      -2.074585     -0.458449      2.917644
  C      -2.682896     -1.556344      2.061459
  O      -2.456161     -1.334084      0.643554
  C      -3.236928     -0.499642     -0.028551
  N      -4.218545      0.188933      0.543688
  C      -4.967866      1.016787     -0.246979
  N      -4.833483      1.215143     -1.536493
  C      -3.830469      0.510061     -2.151500
  C      -3.608358      0.647045     -3.543141
  C      -2.595877     -0.083669     -4.125217
  C      -1.812456     -0.942609     -3.317309
  N      -1.985302     -1.094441     -2.011970
  C      -2.979692     -0.376853     -1.439751
  C      -6.248899      0.422399      6.640986
  C      -5.795281     -1.011339      6.972698
  C      -6.700097     -2.083860      6.396279
  O      -6.501023     -2.151291      4.953033
  C      -7.559344     -2.040815      4.142605
  N      -8.757179     -1.755769      4.617398
  C      -9.788923     -1.718022      3.733263
  N      -9.746621     -1.943007      2.437441
  C      -8.506291     -2.204962      1.923254
  C      -8.348605     -2.436028      0.535015
  C      -7.091365     -2.712049      0.045178
  C      -5.999980     -2.758845      0.943274
  N      -6.099193     -2.537531      2.247446
  C      -7.336391     -2.262189      2.733736
  H      -3.544259      4.937361      3.037534
  H      -4.543059      3.500706      2.785615
  H      -5.284236      5.766747      4.734230
  H      -5.835210      5.668267      3.060680
  H      -7.528824      4.786985      4.726537
  H      -6.383777      3.505151      5.189445
  H     -10.568238      1.930787      5.434847
  H     -11.509128      0.378298      1.165005
  H     -10.195481      0.445153     -0.986969
  H      -7.931088      1.497155     -0.992860
  H      -1.695833     -1.440430      4.837053
  H      -3.398571     -1.171867      4.465451
  H      -0.988800     -0.393567      2.751562
  H      -2.508992      0.509993      2.630653
  H      -3.761587     -1.665371      2.256068
  H      -2.205901     -2.528234      2.245437
  H      -5.762146      1.561868      0.275363
  H      -4.246454      1.324936     -4.111550
  H      -2.390629     -0.011343     -5.194630
  H      -1.006947     -1.529423     -3.768876
  H      -6.676856      0.456747      5.630800
  H      -7.049810      0.728882      7.338659
  H      -4.774626     -1.167708      6.584924
  H      -5.747564     -1.161612      8.062453
  H      -7.760184     -1.897677      6.607649
  H      -6.419249     -3.075907      6.775681
  H     -10.762010     -1.462667      4.163870
  H      -9.231272     -2.395777     -0.103469
  H      -6.925519     -2.898345     -1.016790
  H      -5.001315     -2.996242      0.561948
  N      -4.876200      1.016134      3.796129
  N      -5.481044      0.471157      2.912728
  H      -4.899899      0.243081      1.991192
98
Coordinates from ORCA-job orca E -6532.381929358755
  N      -3.585550      3.609463      4.635871
  Mo     -3.940921      1.756355      5.201073
  N      -5.176528      1.413504      6.688579
  C      -4.741035      1.734693      8.047370
  C      -3.683226      2.825487      7.997702
  N      -2.701669      2.525559      6.916730
  C      -1.992283      3.748509      6.448107
  C      -2.913005      4.538652      5.541945
  C      -1.735211      1.459953      7.298761
  C      -1.266838      0.745295      6.037942
  N      -2.437011      0.490314      5.203661
  H      -2.322729      5.271110      4.963746
  H      -3.644221      5.120907      6.132831
  H      -1.120729      3.412007      5.870957
  H      -1.636110      4.341438      7.306616
  H      -0.785413     -0.206116      6.317545
  H      -0.506654      1.342956      5.501993
  H      -2.265369      0.740889      7.937427
  H      -0.899133      1.893984      7.871764
  H      -5.595199      2.096122      8.647753
  H      -4.355477      0.832313      8.558875
  H      -4.156907      3.782614      7.741322
  H      -3.171088      2.941387      8.966930
  C      -4.233991      4.260153      3.489000
  C      -5.468937      5.088940      3.866829
  C      -6.635075      4.246312      4.339943
  O      -7.052468      3.436707      3.207784
  C      -8.153629      2.697045      3.352723
  N      -8.769890      2.628452      4.517315
  C      -9.933430      1.920712      4.557205
  N     -10.546581      1.316323      3.562419
  C      -9.898793      1.360139      2.355204
  C     -10.460280      0.729984      1.219943
  C      -9.769062      0.773234      0.029987
  C      -8.514216      1.422777     -0.019242
  N      -7.955206      2.035268      1.017132
  C      -8.644573      2.013380      2.184525
  C      -2.445935     -0.723823      4.395576
  C      -2.095995     -0.470590      2.917663
  C      -2.693122     -1.561478      2.044600
  O      -2.448390     -1.323706      0.632019
  C      -3.218022     -0.476912     -0.038245
  N      -4.206802      0.203293      0.531044
  C      -4.945965      1.042604     -0.257313
  N      -4.795131      1.259613     -1.541994
  C      -3.783902      0.563956     -2.154385
  C      -3.543980      0.721743     -3.540998
  C      -2.524233     -0.001050     -4.120523
  C      -1.751926     -0.873015     -3.315198
  N      -1.941182     -1.044203     -2.014197
  C      -2.942205     -0.333893     -1.444328
  C      -6.283767      0.459722      6.629664
  C      -5.839917     -0.977742      6.958569
  C      -6.755402     -2.038818      6.380857
  O      -6.558918     -2.098181      4.936780
  C      -7.624870     -2.028949      4.130631
  N      -8.830336     -1.789963      4.610552
  C      -9.868683     -1.797295      3.733560
  N      -9.825347     -2.030028      2.439205
  C      -8.578470     -2.243982      1.918771
  C      -8.421232     -2.479573      0.531415
  C      -7.157625     -2.708329      0.034825
  C      -6.058894     -2.702269      0.925231
  N      -6.157787     -2.475248      2.228262
  C      -7.401723     -2.247054      2.721496
  H      -3.489266      4.913341      2.997198
  H      -4.517077      3.494820      2.754915
  H      -5.220847      5.810036      4.660095
  H      -5.776549      5.679371      2.989950
  H      -7.484584      4.859274      4.671612
  H      -6.353758      3.580404      5.174394
  H     -10.410339      1.869076      5.539821
  H     -11.416410      0.216462      1.321794
  H     -10.167963      0.298889     -0.867621
  H      -7.946647      1.435627     -0.954614
  H      -1.761122     -1.466726      4.836888
  H      -3.453836     -1.169373      4.442290
  H      -1.007371     -0.408796      2.769892
  H      -2.522803      0.500190      2.627096
  H      -3.774301     -1.670628      2.225121
  H      -2.218360     -2.535148      2.224096
  H      -5.746538      1.580487      0.262910
  H      -4.174765      1.408294     -4.107783
  H      -2.304980      0.087244     -5.186184
  H      -0.942148     -1.454658     -3.765376
  H      -6.713033      0.497756      5.620072
  H      -7.081000      0.771137      7.329288
  H      -4.821395     -1.140741      6.568543
  H      -5.791292     -1.130607      8.047830
  H      -7.812800     -1.843503      6.595651
  H      -6.484498     -3.035194      6.755753
  H     -10.846967     -1.581151      4.168543
  H      -9.309478     -2.481963     -0.100968
  H      -6.992275     -2.898196     -1.026397
  H      -5.054479     -2.902557      0.538082
  N      -4.894608      1.026518      3.779166
  N      -5.490271      0.481732      2.889349
  H      -4.899113      0.251355      1.976655
98
Coordinates from ORCA-job orca E -6532.382159727932
  N      -3.572218      3.619288      4.649802
  Mo     -3.919168      1.761040      5.199995
  N      -5.159203      1.403179      6.687468
  C      -4.722768      1.709704      8.048245
  C      -3.675623      2.809885      8.014356
  N      -2.692563      2.526830      6.931969
  C      -1.991460      3.757130      6.474894
  C      -2.915104      4.546536      5.568305
  C      -1.722421      1.462672      7.307031
  C      -1.240557      0.769268      6.039038
  N      -2.405637      0.508353      5.198767
  H      -2.324605      5.290110      5.004257
  H      -3.654820      5.120096      6.158363
  H      -1.113067      3.435824      5.900118
  H      -1.643832      4.349243      7.338072
  H      -0.740487     -0.176165      6.306013
  H      -0.489558      1.384967      5.509548
  H      -2.252253      0.731169      7.930852
  H      -0.891098      1.888206      7.893850
  H      -5.580122      2.045391      8.659601
  H      -4.320760      0.806753      8.547400
  H      -4.160845      3.765462      7.771126
  H      -3.162425      2.922570      8.983895
  C      -4.221473      4.275564      3.506372
  C      -5.473262      5.084229      3.873908
  C      -6.636067      4.228662      4.329033
  O      -7.058193      3.446696      3.181107
  C      -8.167118      2.717023      3.313209
  N      -8.791215      2.652189      4.475177
  C      -9.953973      1.946555      4.507950
  N     -10.558567      1.335682      3.511422
  C      -9.909294      1.381618      2.306196
  C     -10.473621      0.759371      1.167087
  C      -9.776764      0.800673     -0.021102
  C      -8.523518      1.452808     -0.064110
  N      -7.967555      2.066071      0.974041
  C      -8.658316      2.040254      2.140520
  C      -2.407008     -0.716958      4.400067
  C      -2.088430     -0.476317      2.912753
  C      -2.696495     -1.572859      2.050388
  O      -2.464743     -1.335680      0.633769
  C      -3.238890     -0.488979     -0.031542
  N      -4.231509      0.183691      0.540358
  C      -4.983881      1.019751     -0.238416
  N      -4.846973      1.235559     -1.522644
  C      -3.832897      0.551215     -2.144303
  C      -3.606773      0.715161     -3.530792
  C      -2.581034      0.006568     -4.119354
  C      -1.792763     -0.860564     -3.324593
  N      -1.969980     -1.039797     -2.021951
  C      -2.974454     -0.340421     -1.442017
  C      -6.272324      0.455745      6.621395
  C      -5.846422     -0.984929      6.966169
  C      -6.779105     -2.038841      6.407152
  O      -6.569801     -2.128222      4.965865
  C      -7.628338     -2.057493      4.147499
  N      -8.835878     -1.802080      4.609131
  C      -9.860776     -1.778774      3.718641
  N      -9.800259     -1.994869      2.421862
  C      -8.549873     -2.244197      1.923185
  C      -8.374864     -2.474906      0.538924
  C      -7.109808     -2.738964      0.062877
  C      -6.028059     -2.763723      0.970020
  N      -6.144083     -2.540505      2.271963
  C      -7.389014     -2.284504      2.745119
  H      -3.481039      4.945659      3.031926
  H      -4.483674      3.513372      2.759629
  H      -5.237461      5.803273      4.673991
  H      -5.785163      5.675523      2.998498
  H      -7.486390      4.832404      4.674780
  H      -6.356422      3.541577      5.144687
  H     -10.437794      1.895771      5.488052
  H     -11.431829      0.249323      1.266281
  H     -10.172811      0.332971     -0.923593
  H      -7.951015      1.465148     -0.996991
  H      -1.693508     -1.438770      4.830630
  H      -3.401485     -1.186019      4.474290
  H      -1.003940     -0.415653      2.739562
  H      -2.525368      0.491008      2.627098
  H      -3.776354     -1.677815      2.237945
  H      -2.218815     -2.545150      2.226666
  H      -5.780122      1.553832      0.293398
  H      -4.248476      1.395650     -4.092004
  H      -2.368488      0.103356     -5.185357
  H      -0.982273     -1.432241     -3.785627
  H      -6.686463      0.486949      5.605578
  H      -7.076724      0.782403      7.305846
  H      -4.834426     -1.160513      6.566039
  H      -5.787978     -1.123876      8.056541
  H      -7.833623     -1.819068      6.609627
  H      -6.532737     -3.033366      6.804286
  H     -10.842496     -1.555982      4.138388
  H      -9.249905     -2.444015     -0.111450
  H      -6.932467     -2.932844     -0.995716
  H      -5.021675     -2.981577      0.599389
  N      -4.864384      1.030731      3.774572
  N      -5.465712      0.486704      2.888834
  H      -4.874094      0.246645      1.966771
98
Coordinates from ORCA-job orca E -6532.382437243888
  N      -3.563801      3.615250      4.629805
  Mo     -3.936105      1.764362      5.190544
  N      -5.179381      1.427230      6.678509
  C      -4.741254      1.738048      8.037791
  C      -3.681180      2.825649      7.997135
  N      -2.699941      2.523796      6.917996
  C      -1.982832      3.742578      6.455412
  C      -2.897617      4.539704      5.544613
  C      -1.744863      1.448166      7.302825
  C      -1.271635      0.740262      6.040408
  N      -2.439614      0.491708      5.199695
  H      -2.298913      5.274039      4.976848
  H      -3.630802      5.124229      6.131675
  H      -1.107244      3.407202      5.883434
  H      -1.628949      4.333631      7.316421
  H      -0.786115     -0.210152      6.316966
  H      -0.510630      1.340233      5.506914
  H      -2.287168      0.730777      7.932118
  H      -0.909035      1.865332      7.888880
  H      -5.596254      2.086601      8.644972
  H      -4.349397      0.833656      8.542515
  H      -4.155032      3.785800      7.748840
  H      -3.167523      2.936725      8.966844
  C      -4.200828      4.268283      3.480042
  C      -5.441818      5.099119      3.832879
  C      -6.608805      4.264713      4.312373
  O      -7.048969      3.467606      3.182311
  C      -8.143070      2.719263      3.339511
  N      -8.743633      2.639161      4.512357
  C      -9.890860      1.907751      4.565327
  N     -10.503130      1.290989      3.577052
  C      -9.879952      1.358852      2.358813
  C     -10.457325      0.738152      1.225704
  C      -9.785492      0.803157      0.022896
  C      -8.543039      1.473285     -0.039104
  N      -7.976812      2.083504      0.994020
  C      -8.644581      2.038538      2.173427
  C      -2.447269     -0.727952      4.391567
  C      -2.099735     -0.478682      2.913237
  C      -2.694849     -1.571274      2.038040
  O      -2.448355     -1.327336      0.625999
  C      -3.220452     -0.481629     -0.042714
  N      -4.226304      0.179258      0.520868
  C      -4.970055      1.023328     -0.259503
  N      -4.816135      1.253594     -1.539765
  C      -3.790744      0.578064     -2.152146
  C      -3.547788      0.754102     -3.533977
  C      -2.510079      0.056410     -4.113938
  C      -1.724600     -0.810365     -3.315597
  N      -1.918330     -1.001733     -2.017854
  C      -2.936789     -0.315923     -1.446493
  C      -6.290106      0.477392      6.616287
  C      -5.859904     -0.960620      6.962060
  C      -6.794973     -2.013421      6.404933
  O      -6.589817     -2.096684      4.962433
  C      -7.656421     -2.070996      4.151759
  N      -8.868800     -1.863289      4.623740
  C      -9.902960     -1.888844      3.743366
  N      -9.847422     -2.113092      2.446428
  C      -8.593123     -2.312978      1.936795
  C      -8.423444     -2.548243      0.551996
  C      -7.151722     -2.756492      0.064414
  C      -6.059516     -2.724296      0.959846
  N      -6.171776     -2.497756      2.261770
  C      -7.422238     -2.296056      2.747425
  H      -3.449287      4.920156      2.999221
  H      -4.475113      3.501458      2.743385
  H      -5.198072      5.833067      4.615702
  H      -5.749238      5.674599      2.946581
  H      -7.448478      4.885665      4.655327
  H      -6.329076      3.589210      5.137457
  H     -10.355038      1.843716      5.553424
  H     -11.405861      0.214461      1.338692
  H     -10.192875      0.340171     -0.876513
  H      -7.988909      1.504588     -0.983233
  H      -1.751280     -1.463927      4.829013
  H      -3.450792     -1.182035      4.446560
  H      -1.012125     -0.416804      2.762498
  H      -2.529370      0.491801      2.624165
  H      -3.776105     -1.678662      2.211972
  H      -2.217041     -2.542582      2.216934
  H      -5.777890      1.547266      0.265904
  H      -4.187239      1.434981     -4.098750
  H      -2.285889      0.161265     -5.176371
  H      -0.902878     -1.371252     -3.768938
  H      -6.705322      0.504792      5.600478
  H      -7.094340      0.803597      7.301049
  H      -4.847613     -1.136317      6.561289
  H      -5.800103     -1.099082      8.052553
  H      -7.849434     -1.794999      6.611397
  H      -6.547600     -3.009045      6.799131
  H     -10.887537     -1.694773      4.173919
  H      -9.306328     -2.562492     -0.088919
  H      -6.976480     -2.950444     -0.994437
  H      -5.047552     -2.896884      0.579594
  N      -4.888262      1.034454      3.770195
  N      -5.492916      0.490128      2.886614
  H      -4.905726      0.256662      1.962226
98
Coordinates from ORCA-job orca E -6532.382584989921
  N      -3.550721      3.614709      4.609090
  Mo     -3.945310      1.768025      5.175248
  N      -5.191599      1.448161      6.664097
  C      -4.750481      1.756685      8.022807
  C      -3.680844      2.834670      7.979034
  N      -2.701657      2.521671      6.901042
  C      -1.974471      3.733912      6.437085
  C      -2.882382      4.535583      5.525331
  C      -1.755477      1.438811      7.286835
  C      -1.290949      0.722780      6.026021
  N      -2.463430      0.480140      5.190585
  H      -2.279243      5.266910      4.958940
  H      -3.613197      5.123306      6.111427
  H      -1.101740      3.390348      5.866097
  H      -1.616689      4.323649      7.297275
  H      -0.811421     -0.230264      6.304357
  H      -0.527921      1.315502      5.487543
  H      -2.303081      0.728765      7.920007
  H      -0.915063      1.851451      7.869319
  H      -5.601845      2.114230      8.629429
  H      -4.367187      0.849352      8.528319
  H      -4.144865      3.798125      7.726665
  H      -3.167178      2.944135      8.948623
  C      -4.172770      4.270417      3.453075
  C      -5.404091      5.119229      3.797676
  C      -6.578499      4.299762      4.288960
  O      -7.031179      3.498136      3.165453
  C      -8.102540      2.724236      3.347824
  N      -8.672801      2.628142      4.534702
  C      -9.792767      1.858196      4.616363
  N     -10.406915      1.218931      3.643848
  C      -9.816343      1.306617      2.410116
  C     -10.398253      0.663115      1.292179
  C      -9.755364      0.745812      0.075015
  C      -8.537371      1.455940     -0.017185
  N      -7.969617      2.090176      1.001040
  C      -8.608943      2.026245      2.194908
  C      -2.480796     -0.741105      4.386199
  C      -2.123272     -0.492887      2.910154
  C      -2.720790     -1.575685      2.025392
  O      -2.459804     -1.321842      0.617694
  C      -3.218058     -0.462399     -0.049149
  N      -4.225254      0.198118      0.512284
  C      -4.953153      1.057598     -0.266254
  N      -4.780033      1.304923     -1.540750
  C      -3.749438      0.632979     -2.148538
  C      -3.483644      0.829654     -3.522923
  C      -2.439383      0.137575     -4.097716
  C      -1.669492     -0.743875     -3.301476
  N      -1.885819     -0.955795     -2.011014
  C      -2.911702     -0.276507     -1.445190
  C      -6.311720      0.510320      6.604409
  C      -5.896746     -0.930628      6.953576
  C      -6.849550     -1.972850      6.406349
  O      -6.646637     -2.066896      4.964560
  C      -7.716853     -2.084894      4.159321
  N      -8.933393     -1.916765      4.636474
  C      -9.970250     -1.985377      3.761861
  N      -9.913497     -2.222287      2.467278
  C      -8.655505     -2.379903      1.952198
  C      -8.485112     -2.622989      0.568784
  C      -7.209275     -2.786904      0.074756
  C      -6.114101     -2.704309      0.962776
  N      -6.226712     -2.469876      2.263311
  C      -7.481044     -2.310393      2.755202
  H      -3.409821      4.909711      2.972791
  H      -4.452646      3.503906      2.717810
  H      -5.152685      5.862103      4.571252
  H      -5.705894      5.685888      2.902523
  H      -7.410603      4.931688      4.631172
  H      -6.301315      3.627349      5.119520
  H     -10.230064      1.779160      5.616268
  H     -11.325917      0.107910      1.426978
  H     -10.167503      0.264897     -0.812929
  H      -8.005982      1.501692     -0.973294
  H      -1.794869     -1.483064      4.827852
  H      -3.488975     -1.184120      4.437422
  H      -1.034337     -0.439712      2.766378
  H      -2.542299      0.481788      2.620648
  H      -3.804352     -1.675023      2.191142
  H      -2.251734     -2.551993      2.201199
  H      -5.765352      1.578579      0.254981
  H      -4.110917      1.522164     -4.085820
  H      -2.197467      0.258689     -5.154093
  H      -0.839823     -1.298010     -3.749845
  H      -6.727905      0.540246      5.589055
  H      -7.111471      0.846441      7.289329
  H      -4.889454     -1.121021      6.547482
  H      -5.832156     -1.064818      8.044333
  H      -7.900086     -1.735628      6.611481
  H      -6.619668     -2.969339      6.809005
  H     -10.958867     -1.818513      4.195849
  H      -9.370309     -2.678856     -0.066072
  H      -7.033241     -2.985232     -0.983331
  H      -5.099630     -2.843901      0.577990
  N      -4.900080      1.036725      3.756828
  N      -5.502432      0.487841      2.874240
  H      -4.915983      0.254262      1.951002
98
Coordinates from ORCA-job orca E -6532.382694648992
  N      -3.544891      3.621187      4.609918
  Mo     -3.935304      1.771125      5.171665
  N      -5.181654      1.447934      6.660301
  C      -4.739457      1.750557      8.019933
  C      -3.671964      2.830765      7.979730
  N      -2.692280      2.523713      6.900529
  C      -1.969184      3.739305      6.439711
  C      -2.878862      4.540479      5.529401
  C      -1.743285      1.441831      7.282024
  C      -1.278127      0.731033      6.018699
  N      -2.451689      0.485127      5.185462
  H      -2.277591      5.274660      4.964624
  H      -3.611298      5.124676      6.116956
  H      -1.094483      3.400074      5.868806
  H      -1.613976      4.328710      7.301236
  H      -0.792353     -0.219795      6.293462
  H      -0.520183      1.329747      5.479503
  H      -2.289462      0.728990      7.913613
  H      -0.904082      1.855046      7.866021
  H      -5.590948      2.103549      8.628904
  H      -4.354452      0.841373      8.520621
  H      -4.137322      3.794321      7.731140
  H      -3.158684      2.937134      8.949821
  C      -4.168085      4.280883      3.457436
  C      -5.402400      5.125446      3.804163
  C      -6.577853      4.303577      4.290313
  O      -7.032183      3.510621      3.161606
  C      -8.101982      2.734068      3.345506
  N      -8.670441      2.637191      4.532968
  C      -9.785121      1.861185      4.618788
  N     -10.396151      1.214242      3.649493
  C      -9.809614      1.304295      2.414366
  C     -10.389437      0.653375      1.299650
  C      -9.751209      0.738902      0.081068
  C      -8.540095      1.460662     -0.016980
  N      -7.974893      2.101990      0.998297
  C      -8.608827      2.033698      2.194656
  C      -2.471294     -0.739935      4.386522
  C      -2.122872     -0.495792      2.907489
  C      -2.731435     -1.577162      2.029066
  O      -2.472985     -1.329101      0.619621
  C      -3.225703     -0.465455     -0.046566
  N      -4.229922      0.199813      0.514738
  C      -4.952457      1.064282     -0.263238
  N      -4.776007      1.313687     -1.536632
  C      -3.747471      0.637449     -2.143673
  C      -3.477562      0.835230     -3.517078
  C      -2.433538      0.141928     -4.090833
  C      -1.666967     -0.740965     -3.294118
  N      -1.888563     -0.955513     -2.005152
  C      -2.915200     -0.276447     -1.441010
  C      -6.308998      0.519629      6.596341
  C      -5.910607     -0.925020      6.948819
  C      -6.876470     -1.955622      6.401647
  O      -6.666185     -2.058681      4.961499
  C      -7.734232     -2.096554      4.154796
  N      -8.953498     -1.944804      4.630596
  C      -9.987674     -2.021159      3.753811
  N      -9.926713     -2.253984      2.458780
  C      -8.666928     -2.401964      1.946143
  C      -8.493035     -2.644284      0.562991
  C      -7.215371     -2.802015      0.071438
  C      -6.122149     -2.713841      0.961543
  N      -6.237796     -2.478030      2.261851
  C      -7.493787     -2.323715      2.751414
  H      -3.406687      4.924605      2.980628
  H      -4.445484      3.517591      2.718241
  H      -5.154837      5.867029      4.579824
  H      -5.703097      5.693873      2.909816
  H      -7.408221      4.933694      4.638895
  H      -6.300585      3.624714      5.115256
  H     -10.219554      1.781409      5.620098
  H     -11.311961      0.090154      1.438363
  H     -10.161709      0.251414     -0.804142
  H      -8.012813      1.510521     -0.974931
  H      -1.781717     -1.478221      4.828163
  H      -3.478763     -1.184027      4.445666
  H      -1.034488     -0.449505      2.757677
  H      -2.536901      0.481016      2.618357
  H      -3.814751     -1.669115      2.199510
  H      -2.267619     -2.555823      2.206227
  H      -5.760538      1.589564      0.259373
  H      -4.101230      1.529755     -4.080812
  H      -2.188863      0.263571     -5.146481
  H      -0.835372     -1.293834     -3.740747
  H      -6.718800      0.551338      5.578633
  H      -7.109807      0.864276      7.275872
  H      -4.905350     -1.127898      6.544218
  H      -5.849475     -1.058580      8.039824
  H      -7.924412     -1.699832      6.598070
  H      -6.667032     -2.953720      6.811254
  H     -10.978321     -1.869469      4.186667
  H      -9.376778     -2.705117     -0.073404
  H      -7.036004     -2.999042     -0.986398
  H      -5.106218     -2.848970      0.578903
  N      -4.892306      1.037998      3.755721
  N      -5.498336      0.488582      2.876290
  H      -4.915803      0.252819      1.949020
98
Coordinates from ORCA-job orca E -6532.382799863847
  N      -3.534894      3.627156      4.608279
  Mo     -3.920641      1.774252      5.166667
  N      -5.168877      1.451398      6.654756
  C      -4.725290      1.747834      8.015415
  C      -3.658276      2.828317      7.979236
  N      -2.678373      2.526090      6.899014
  C      -1.958600      3.744236      6.440190
  C      -2.868869      4.544934      5.529540
  C      -1.726982      1.444848      7.276805
  C      -1.260466      0.739361      6.011423
  N      -2.434383      0.490010      5.178907
  H      -2.268070      5.279652      4.964496
  H      -3.602212      5.128064      6.117456
  H      -1.081362      3.408428      5.870626
  H      -1.606241      4.334269      7.302510
  H      -0.768965     -0.209165      6.283001
  H      -0.507064      1.344173      5.472667
  H      -2.272127      0.729122      7.906165
  H      -0.889745      1.858391      7.863498
  H      -5.576674      2.098255      8.626146
  H      -4.340605      0.836120      8.511856
  H      -4.123809      3.792875      7.734731
  H      -3.145377      2.930283      8.950094
  C      -4.163375      4.289524      3.461260
  C      -5.400460      5.128958      3.811400
  C      -6.574364      4.304206      4.295000
  O      -7.032137      3.519678      3.162509
  C      -8.094509      2.732471      3.350993
  N      -8.654950      2.626475      4.541663
  C      -9.760339      1.838533      4.634051
  N     -10.370694      1.186299      3.667592
  C      -9.794929      1.287856      2.428199
  C     -10.376396      0.636742      1.314645
  C      -9.751513      0.738080      0.090549
  C      -8.551385      1.477539     -0.015571
  N      -7.985458      2.118730      0.998678
  C      -8.605578      2.034208      2.201489
  C      -2.454522     -0.739357      4.385077
  C      -2.116927     -0.501313      2.902373
  C      -2.743325     -1.579444      2.032282
  O      -2.490461     -1.338361      0.620099
  C      -3.235985     -0.468297     -0.044473
  N      -4.240947      0.198052      0.515112
  C      -4.958169      1.067056     -0.262916
  N      -4.777847      1.319430     -1.535522
  C      -3.749404      0.641025     -2.140917
  C      -3.473804      0.841736     -3.513309
  C      -2.426716      0.151305     -4.085031
  C      -1.661957     -0.731050     -3.286847
  N      -1.890233     -0.950006     -1.999329
  C      -2.920339     -0.274470     -1.437529
  C      -6.309586      0.540527      6.585654
  C      -5.941456     -0.910237      6.946299
  C      -6.931382     -1.917554      6.398747
  O      -6.707535     -2.031911      4.961197
  C      -7.768217     -2.105717      4.148470
  N      -8.994548     -1.982078      4.615838
  C     -10.019428     -2.073353      3.730258
  N      -9.944225     -2.297877      2.434639
  C      -8.678371     -2.430396      1.932858
  C      -8.490215     -2.670963      0.551176
  C      -7.207044     -2.818218      0.071424
  C      -6.122584     -2.720721      0.971406
  N      -6.251243     -2.481602      2.269974
  C      -7.512777     -2.336947      2.748092
  H      -3.405932      4.938299      2.985112
  H      -4.440640      3.528738      2.719895
  H      -5.156839      5.870215      4.587605
  H      -5.701707      5.698063      2.918095
  H      -7.402323      4.932142      4.652643
  H      -6.294473      3.619787      5.113186
  H     -10.187991      1.754733      5.637491
  H     -11.290247      0.061190      1.459021
  H     -10.163223      0.249963     -0.793658
  H      -8.035157      1.543212     -0.978866
  H      -1.759835     -1.472421      4.827423
  H      -3.460608     -1.185940      4.453071
  H      -1.028919     -0.467220      2.745448
  H      -2.521120      0.479769      2.613725
  H      -3.826228     -1.661483      2.210589
  H      -2.287330     -2.561834      2.209768
  H      -5.763686      1.595271      0.260263
  H      -4.095025      1.536601     -4.078878
  H      -2.178110      0.274963     -5.139704
  H      -0.825855     -1.279136     -3.731061
  H      -6.708484      0.573443      5.563885
  H      -7.111428      0.901801      7.255775
  H      -4.940054     -1.136664      6.545123
  H      -5.887323     -1.042110      8.037842
  H      -7.973630     -1.628564      6.581307
  H      -6.758961     -2.919174      6.817903
  H     -11.017010     -1.943423      4.155976
  H      -9.367914     -2.740632     -0.092654
  H      -7.015776     -3.013575     -0.984603
  H      -5.102280     -2.850620      0.598509
  N      -4.879804      1.040136      3.753843
  N      -5.492531      0.493825      2.877505
  H      -4.915398      0.257604      1.945250
98
Coordinates from ORCA-job orca E -6532.382842416673
  N      -3.535642      3.634486      4.619640
  Mo     -3.906659      1.777077      5.171663
  N      -5.152426      1.444969      6.659055
  C      -4.707278      1.735118      8.020783
  C      -3.645085      2.820732      7.988935
  N      -2.666149      2.529931      6.904894
  C      -1.955692      3.754833      6.449016
  C      -2.872715      4.552709      5.543347
  C      -1.706043      1.454040      7.276154
  C      -1.237916      0.755854      6.007309
  N      -2.412477      0.500503      5.177735
  H      -2.278023      5.292939      4.979098
  H      -3.608700      5.128747      6.134861
  H      -1.077257      3.427087      5.877083
  H      -1.605957      4.344407      7.312743
  H      -0.739423     -0.190149      6.274818
  H      -0.490537      1.368062      5.468842
  H      -2.244428      0.731941      7.903992
  H      -0.870801      1.871919      7.862437
  H      -5.558842      2.080024      8.634480
  H      -4.319018      0.821777      8.511262
  H      -4.115753      3.784495      7.751345
  H      -3.130800      2.918713      8.959432
  C      -4.174639      4.298785      3.479301
  C      -5.416156      5.127833      3.838883
  C      -6.587748      4.292818      4.310914
  O      -7.039983      3.517609      3.169700
  C      -8.108454      2.735688      3.346436
  N      -8.678730      2.629558      4.532421
  C      -9.789750      1.848392      4.614747
  N     -10.395619      1.199746      3.642843
  C      -9.808777      1.299683      2.408529
  C     -10.383098      0.650904      1.289844
  C      -9.749673      0.752809      0.070531
  C      -8.547470      1.490322     -0.026147
  N      -7.986204      2.127203      0.993685
  C      -8.614421      2.042230      2.192145
  C      -2.431601     -0.731081      4.388136
  C      -2.105594     -0.497914      2.901772
  C      -2.742260     -1.578357      2.042470
  O      -2.498606     -1.348765      0.626811
  C      -3.242436     -0.477743     -0.038046
  N      -4.241371      0.196405      0.523173
  C      -4.957658      1.065127     -0.255856
  N      -4.783614      1.309656     -1.531330
  C      -3.761867      0.622830     -2.138187
  C      -3.493044      0.814456     -3.513439
  C      -2.452214      0.116186     -4.086922
  C      -1.687073     -0.764973     -3.287418
  N      -1.909452     -0.975743     -1.997340
  C      -2.933235     -0.292331     -1.433794
  C      -6.298168      0.541012      6.585250
  C      -5.941010     -0.913315      6.942771
  C      -6.939419     -1.910450      6.391040
  O      -6.711503     -2.024324      4.953865
  C      -7.769352     -2.107080      4.139149
  N      -8.997690     -1.989723      4.604009
  C     -10.019156     -2.079391      3.714109
  N      -9.939287     -2.294853      2.417254
  C      -8.671919     -2.426556      1.919255
  C      -8.479017     -2.662574      0.537275
  C      -7.194801     -2.814169      0.062411
  C      -6.113637     -2.725464      0.967687
  N      -6.246406     -2.487756      2.266025
  C      -7.509341     -2.338253      2.739236
  H      -3.424689      4.956964      3.003629
  H      -4.450051      3.540154      2.734422
  H      -5.177028      5.861569      4.624171
  H      -5.718335      5.706486      2.951526
  H      -7.418597      4.913687      4.673906
  H      -6.306301      3.600986      5.122708
  H     -10.226353      1.765505      5.615072
  H     -11.299394      0.077213      1.426858
  H     -10.155844      0.266706     -0.817442
  H      -8.025578      1.558370     -0.986005
  H      -1.730935     -1.459169      4.828964
  H      -3.435395     -1.181836      4.464352
  H      -1.018712     -0.466807      2.736285
  H      -2.509224      0.483232      2.613065
  H      -3.824212     -1.655738      2.228921
  H      -2.289462     -2.561554      2.223257
  H      -5.759053      1.598923      0.267935
  H      -4.114315      1.509014     -4.079761
  H      -2.209099      0.232418     -5.143743
  H      -0.855871     -1.319153     -3.732908
  H      -6.694014      0.577688      5.562733
  H      -7.100114      0.904994      7.253803
  H      -4.941110     -1.146932      6.541844
  H      -5.889975     -1.049302      8.033957
  H      -7.979668     -1.610775      6.570242
  H      -6.780049     -2.914369      6.810260
  H     -11.019196     -1.955849      4.137771
  H      -9.354724     -2.726916     -0.109907
  H      -6.999602     -3.006686     -0.993361
  H      -5.092551     -2.862921      0.599129
  N      -4.866977      1.043403      3.759135
  N      -5.483496      0.497344      2.885435
  H      -4.910077      0.259119      1.949487
98
Coordinates from ORCA-job orca E -6532.382890304822
  N      -3.531500      3.637430      4.622706
  Mo     -3.900057      1.780170      5.174124
  N      -5.147515      1.451041      6.659886
  C      -4.701437      1.737439      8.022297
  C      -3.637359      2.821502      7.992407
  N      -2.659782      2.531678      6.906921
  C      -1.949420      3.756981      6.450655
  C      -2.867276      4.555467      5.546140
  C      -1.698965      1.456027      7.277535
  C      -1.231037      0.757861      6.008333
  N      -2.405639      0.503151      5.178515
  H      -2.273171      5.295934      4.981454
  H      -3.603105      5.130973      6.138435
  H      -1.071583      3.429300      5.877886
  H      -1.598917      4.346099      7.314407
  H      -0.734330     -0.189057      6.275825
  H      -0.482549      1.369587      5.470941
  H      -2.236378      0.732782      7.904971
  H      -0.863514      1.874203      7.863378
  H      -5.552052      2.084114      8.636527
  H      -4.315350      0.822288      8.511022
  H      -4.107278      3.786273      7.757001
  H      -3.122083      2.916614      8.962722
  C      -4.176281      4.300785      3.484390
  C      -5.416789      5.129263      3.847724
  C      -6.587386      4.292466      4.317880
  O      -7.038373      3.518663      3.175404
  C      -8.101015      2.728811      3.352712
  N      -8.666227      2.615505      4.540696
  C      -9.774723      1.830245      4.623778
  N     -10.381672      1.182370      3.651941
  C      -9.798494      1.287727      2.416174
  C     -10.373466      0.640418      1.297056
  C      -9.745096      0.749783      0.075570
  C      -8.547436      1.494039     -0.022817
  N      -7.984817      2.128892      0.997663
  C      -8.607622      2.036209      2.198250
  C      -2.425548     -0.727576      4.388045
  C      -2.101789     -0.495602      2.900800
  C      -2.744344     -1.575086      2.044462
  O      -2.504277     -1.350540      0.627585
  C      -3.245342     -0.476626     -0.037440
  N      -4.242241      0.200651      0.523522
  C      -4.956711      1.069886     -0.256336
  N      -4.782948      1.312511     -1.532244
  C      -3.763172      0.622890     -2.138818
  C      -3.495219      0.812217     -3.514751
  C      -2.457420      0.109528     -4.088332
  C      -1.695252     -0.774265     -3.288179
  N      -1.916544     -0.982614     -1.997406
  C      -2.936746     -0.294079     -1.433653
  C      -6.299988      0.555827      6.583527
  C      -5.955407     -0.902644      6.937316
  C      -6.964020     -1.886900      6.380915
  O      -6.730484     -1.999101      4.944601
  C      -7.784540     -2.101662      4.128061
  N      -9.015340     -1.999582      4.590233
  C     -10.033114     -2.103444      3.697399
  N      -9.947125     -2.318847      2.400830
  C      -8.677116     -2.439056      1.906517
  C      -8.477597     -2.678158      0.525938
  C      -7.190839     -2.821358      0.055944
  C      -6.113408     -2.721621      0.965087
  N      -6.252531     -2.478736      2.261587
  C      -7.518363     -2.336843      2.729681
  H      -3.429289      4.959774      3.004778
  H      -4.454693      3.541271      2.741488
  H      -5.176421      5.860308      4.634992
  H      -5.719511      5.710970      2.962768
  H      -7.419384      4.911683      4.681276
  H      -6.305035      3.600371      5.128866
  H     -10.208517      1.742770      5.625253
  H     -11.286295      0.061518      1.435295
  H     -10.151938      0.265412     -0.812967
  H      -8.030313      1.569909     -0.984697
  H      -1.724168     -1.455948      4.827719
  H      -3.429315     -1.178575      4.464950
  H      -1.015259     -0.467591      2.732227
  H      -2.503367      0.486619      2.612693
  H      -3.826221     -1.648482      2.233923
  H      -2.295484     -2.559873      2.226001
  H      -5.756930      1.606711      0.266337
  H      -4.115005      1.508420     -4.081168
  H      -2.214878      0.223770     -5.145734
  H      -0.867874     -1.333233     -3.734221
  H      -6.694925      0.596806      5.560910
  H      -7.099937      0.923875      7.252321
  H      -4.957803     -1.144658      6.535028
  H      -5.906188     -1.042743      8.027987
  H      -8.001446     -1.574367      6.556656
  H      -6.820890     -2.893477      6.799979
  H     -11.035745     -1.994025      4.119132
  H      -9.350958     -2.752504     -0.123592
  H      -6.990472     -3.016343     -0.998319
  H      -5.089793     -2.855443      0.600616
  N      -4.861643      1.049042      3.761352
  N      -5.481444      0.504308      2.889103
  H      -4.910813      0.265943      1.951511
98
Coordinates from ORCA-job orca E -6532.382934735082
  N      -3.531578      3.641168      4.628438
  Mo     -3.891743      1.782594      5.177718
  N      -5.137963      1.454319      6.663163
  C      -4.688373      1.735335      8.025715
  C      -3.623615      2.819256      7.996836
  N      -2.649421      2.533308      6.907184
  C      -1.942989      3.761063      6.450082
  C      -2.866403      4.559430      5.551194
  C      -1.684447      1.460066      7.274310
  C      -1.219313      0.762372      6.003304
  N      -2.396080      0.506728      5.177149
  H      -2.276646      5.303082      4.986278
  H      -3.601803      5.131041      6.147620
  H      -1.067165      3.435827      5.872965
  H      -1.590160      4.348931      7.313708
  H      -0.722354     -0.184907      6.269382
  H      -0.472082      1.374266      5.464524
  H      -2.217243      0.734910      7.903454
  H      -0.847268      1.880320      7.856176
  H      -5.536832      2.082101      8.642924
  H      -4.302153      0.818183      8.510351
  H      -4.094725      3.784535      7.766029
  H      -3.105078      2.911092      8.965680
  C      -4.185095      4.303273      3.493523
  C      -5.425530      5.129168      3.862168
  C      -6.593959      4.287324      4.328455
  O      -7.038657      3.513389      3.183457
  C      -8.097977      2.718405      3.355272
  N      -8.664570      2.598717      4.542056
  C      -9.772309      1.811030      4.619265
  N     -10.376216      1.166117      3.643657
  C      -9.789228      1.275910      2.409802
  C     -10.358858      0.629878      1.287379
  C      -9.727827      0.745337      0.067201
  C      -8.533238      1.494666     -0.025969
  N      -7.974363      2.127051      0.998336
  C      -8.599411      2.027976      2.197100
  C      -2.418851     -0.724007      4.387648
  C      -2.099129     -0.494830      2.898858
  C      -2.749400     -1.572784      2.046106
  O      -2.511453     -1.354410      0.628201
  C      -3.248240     -0.476472     -0.037896
  N      -4.240325      0.207631      0.523304
  C      -4.950387      1.079913     -0.256957
  N      -4.775420      1.320146     -1.532945
  C      -3.759864      0.624392     -2.139748
  C      -3.491107      0.811750     -3.515433
  C      -2.459490      0.100187     -4.089380
  C      -1.704850     -0.791048     -3.289991
  N      -1.925824     -0.996586     -1.998997
  C      -2.939606     -0.298532     -1.434545
  C      -6.297695      0.568809      6.586648
  C      -5.965208     -0.894302      6.933629
  C      -6.986173     -1.865138      6.376126
  O      -6.752279     -1.974368      4.940089
  C      -7.804379     -2.096805      4.124428
  N      -9.036759     -2.011796      4.586062
  C     -10.052069     -2.131019      3.692007
  N      -9.961797     -2.344680      2.395466
  C      -8.689546     -2.449001      1.902599
  C      -8.484528     -2.687402      0.522725
  C      -7.195484     -2.816813      0.055080
  C      -6.121096     -2.704400      0.966410
  N      -6.265570     -2.460405      2.261833
  C      -7.533962     -2.331610      2.727124
  H      -3.442386      4.963824      3.009088
  H      -4.465980      3.542453      2.752943
  H      -5.184664      5.855562      4.653661
  H      -5.729211      5.715779      2.980951
  H      -7.429988      4.902630      4.689714
  H      -6.310481      3.595739      5.139660
  H     -10.210031      1.721201      5.618128
  H     -11.269799      0.046931      1.421378
  H     -10.130977      0.262710     -0.823934
  H      -8.014779      1.576880     -0.986699
  H      -1.717159     -1.453350      4.825450
  H      -3.422751     -1.174287      4.466599
  H      -1.013420     -0.471184      2.724881
  H      -2.498836      0.488604      2.611725
  H      -3.831544     -1.640079      2.237515
  H      -2.306212     -2.559864      2.229648
  H      -5.748921      1.621314      0.264109
  H      -4.105946      1.513306     -4.080451
  H      -2.216241      0.212923     -5.146581
  H      -0.883696     -1.358563     -3.736982
  H      -6.696757      0.616748      5.565891
  H      -7.092186      0.939910      7.260107
  H      -4.972207     -1.145096      6.525494
  H      -5.912949     -1.038807      8.023526
  H      -8.019518     -1.540258      6.552995
  H      -6.857450     -2.874230      6.794049
  H     -11.056827     -2.035927      4.113160
  H      -9.355950     -2.772904     -0.127999
  H      -6.991005     -3.011653     -0.998464
  H      -5.095725     -2.830171      0.604232
  N      -4.855177      1.055720      3.763790
  N      -5.477533      0.513088      2.892110
  H      -4.909609      0.275789      1.953835
98
Coordinates from ORCA-job orca E -6532.382964028317
  N      -3.530179      3.644635      4.633148
  Mo     -3.886235      1.785171      5.180479
  N      -5.132977      1.459287      6.665079
  C      -4.681329      1.736202      8.027912
  C      -3.615139      2.819076      8.000075
  N      -2.642765      2.534138      6.908267
  C      -1.937425      3.762485      6.450664
  C      -2.863887      4.562124      5.555549
  C      -1.676983      1.461213      7.274154
  C      -1.213295      0.763334      6.002511
  N      -2.390813      0.509554      5.176931
  H      -2.276066      5.307769      4.991268
  H      -3.598376      5.131723      6.155016
  H      -1.063418      3.437984      5.870211
  H      -1.581981      4.348958      7.314127
  H      -0.717695     -0.184837      6.268085
  H      -0.465115      1.373853      5.463526
  H      -2.208661      0.735809      7.903936
  H      -0.838448      1.881163      7.854310
  H      -5.528413      2.082640      8.647110
  H      -4.295270      0.817695      8.510129
  H      -4.086163      3.785027      7.771880
  H      -3.094645      2.908888      8.968022
  C      -4.189253      4.307109      3.501090
  C      -5.430299      5.129915      3.874417
  C      -6.597446      4.283285      4.335907
  O      -7.038774      3.512616      3.186899
  C      -8.093875      2.711462      3.355393
  N      -8.659270      2.583763      4.542050
  C      -9.764417      1.791577      4.615693
  N     -10.366110      1.148878      3.637458
  C      -9.778908      1.265506      2.404113
  C     -10.345476      0.620321      1.279775
  C      -9.713569      0.740444      0.060393
  C      -8.521816      1.494180     -0.029597
  N      -7.965961      2.126621      0.996612
  C      -8.591775      2.022521      2.194261
  C      -2.416545     -0.720820      4.387285
  C      -2.099192     -0.491967      2.897791
  C      -2.754212     -1.568518      2.046782
  O      -2.515930     -1.354272      0.628544
  C      -3.249317     -0.473614     -0.038277
  N      -4.235977      0.217111      0.523570
  C      -4.942897      1.091936     -0.256513
  N      -4.768175      1.329184     -1.532840
  C      -3.757544      0.627267     -2.140579
  C      -3.489315      0.812254     -3.516522
  C      -2.463822      0.092579     -4.091184
  C      -1.715211     -0.804780     -3.292491
  N      -1.935063     -1.007483     -2.001052
  C      -2.942434     -0.300833     -1.435684
  C      -6.297473      0.580318      6.588242
  C      -5.972894     -0.885702      6.930418
  C      -7.001030     -1.847850      6.370931
  O      -6.764519     -1.957243      4.935777
  C      -7.815621     -2.093012      4.121032
  N      -9.048139     -2.018763      4.583590
  C     -10.063095     -2.149615      3.690640
  N      -9.971997     -2.365186      2.394472
  C      -8.699098     -2.459915      1.900980
  C      -8.492991     -2.700805      0.521839
  C      -7.203036     -2.819951      0.053377
  C      -6.129026     -2.694863      0.963510
  N      -6.274810     -2.448499      2.258364
  C      -7.544157     -2.329564      2.724322
  H      -3.448972      4.969208      3.014922
  H      -4.470559      3.546156      2.760688
  H      -5.189170      5.850890      4.670855
  H      -5.734994      5.721918      2.997194
  H      -7.436180      4.894957      4.697300
  H      -6.313283      3.589611      5.145144
  H     -10.201649      1.694158      5.614779
  H     -11.254095      0.033191      1.411528
  H     -10.114295      0.258131     -0.832018
  H      -8.002582      1.579486     -0.989432
  H      -1.714536     -1.451428      4.822719
  H      -3.420676     -1.170533      4.467650
  H      -1.014134     -0.471214      2.719604
  H      -2.498192      0.492207      2.611813
  H      -3.836685     -1.630113      2.238029
  H      -2.315754     -2.557351      2.232351
  H      -5.738852      1.637431      0.264152
  H      -4.100122      1.518256     -4.080667
  H      -2.220634      0.203674     -5.148563
  H      -0.899999     -1.380005     -3.740523
  H      -6.699209      0.633081      5.568610
  H      -7.088244      0.954040      7.264705
  H      -4.982767     -1.141430      6.518123
  H      -5.918226     -1.032852      8.019736
  H      -8.031842     -1.513910      6.545874
  H      -6.883224     -2.858082      6.789485
  H     -11.068506     -2.062383      4.112410
  H      -9.364056     -2.795693     -0.128151
  H      -6.997838     -3.016444     -0.999767
  H      -5.102720     -2.811482      0.600483
  N      -4.852444      1.062718      3.765841
  N      -5.477285      0.522710      2.894415
  H      -4.911607      0.286035      1.955398
98
Coordinates from ORCA-job orca E -6532.382996408006
  N      -3.531269      3.650917      4.641257
  Mo     -3.878551      1.788595      5.183593
  N      -5.123995      1.462282      6.668562
  C      -4.668050      1.732631      8.031392
  C      -3.601846      2.815790      8.005176
  N      -2.632146      2.535269      6.909480
  C      -1.931374      3.766290      6.452410
  C      -2.863851      4.566907      5.563898
  C      -1.663073      1.463912      7.271168
  C      -1.202338      0.767789      5.997278
  N      -2.382140      0.514646      5.174821
  H      -2.280041      5.316458      5.000611
  H      -3.597160      5.132314      6.168825
  H      -1.059493      3.445372      5.866533
  H      -1.572943      4.350759      7.316011
  H      -0.705040     -0.180264      6.260366
  H      -0.455928      1.378929      5.456415
  H      -2.191627      0.737353      7.902290
  H      -0.822948      1.884486      7.848689
  H      -5.513220      2.075715      8.654938
  H      -4.280034      0.812208      8.508430
  H      -4.074095      3.782384      7.782636
  H      -3.078278      2.902115      8.971750
  C      -4.196536      4.315380      3.513850
  C      -5.440373      5.131341      3.893050
  C      -6.604729      4.276687      4.347297
  O      -7.039940      3.510367      3.192431
  C      -8.092393      2.704321      3.353751
  N      -8.661690      2.568837      4.537198
  C      -9.763425      1.771061      4.602941
  N     -10.358268      1.130044      3.619653
  C      -9.766497      1.254383      2.389431
  C     -10.325243      0.609708      1.260915
  C      -9.688696      0.736866      0.044469
  C      -8.500301      1.496891     -0.037919
  N      -7.952086      2.129139      0.992520
  C      -8.582677      2.018225      2.187030
  C      -2.413162     -0.716789      4.386803
  C      -2.101911     -0.490668      2.895520
  C      -2.765754     -1.565094      2.048421
  O      -2.527227     -1.356443      0.629386
  C      -3.254874     -0.471905     -0.038872
  N      -4.233225      0.229953      0.523326
  C      -4.932894      1.110590     -0.256806
  N      -4.756805      1.344179     -1.533407
  C      -3.754904      0.630419     -2.141978
  C      -3.486377      0.810723     -3.518463
  C      -2.470573      0.077995     -4.093759
  C      -1.731605     -0.827614     -3.295478
  N      -1.951379     -1.025629     -2.003433
  C      -2.949321     -0.306122     -1.437251
  C      -6.294210      0.591270      6.592241
  C      -5.979966     -0.878189      6.928978
  C      -7.017772     -1.828969      6.368193
  O      -6.779217     -1.938731      4.933741
  C      -7.829305     -2.090248      4.120218
  N      -9.062059     -2.030695      4.583987
  C     -10.076497     -2.174595      3.692664
  N      -9.984584     -2.392502      2.396924
  C      -8.710951     -2.473981      1.902426
  C      -8.503938     -2.717218      0.523973
  C      -7.213073     -2.821595      0.054107
  C      -6.139511     -2.679095      0.962017
  N      -6.286379     -2.430972      2.256517
  C      -7.556514     -2.326842      2.724038
  H      -3.459362      4.981371      3.028319
  H      -4.476205      3.555708      2.771497
  H      -5.201537      5.845267      4.696377
  H      -5.746651      5.730114      3.021181
  H      -7.447381      4.882509      4.709503
  H      -6.319149      3.579834      5.153067
  H     -10.204029      1.667203      5.599396
  H     -11.231285      0.017295      1.387064
  H     -10.083565      0.255062     -0.850809
  H      -7.976850      1.586596     -0.995154
  H      -1.710811     -1.448548      4.819620
  H      -3.417720     -1.164656      4.471792
  H      -1.017905     -0.475698      2.710908
  H      -2.498327      0.494831      2.610672
  H      -3.848290     -1.618245      2.240499
  H      -2.333649     -2.556191      2.236820
  H      -5.722681      1.664230      0.264443
  H      -4.089575      1.523371     -4.082213
  H      -2.227330      0.185395     -5.151497
  H      -0.924381     -1.413715     -3.744149
  H      -6.699331      0.650299      5.574190
  H      -7.079968      0.968855      7.272494
  H      -4.993717     -1.140641      6.511972
  H      -5.922230     -1.028286      8.017638
  H      -8.044829     -1.482988      6.541352
  H      -6.913523     -2.840534      6.787214
  H     -11.082184     -2.098642      4.115070
  H      -9.374487     -2.824986     -0.124728
  H      -7.007137     -3.019483     -0.998637
  H      -5.112669     -2.782173      0.597578
  N      -4.848701      1.072710      3.767947
  N      -5.475965      0.538297      2.895023
  H      -4.911365      0.302922      1.956241
98
Coordinates from ORCA-job orca E -6532.382441026372
  N      -3.526720      3.653924      4.653190
  Mo     -3.895179      1.794595      5.194574
  N      -5.125910      1.469667      6.694820
  C      -4.655476      1.739142      8.052655
  C      -3.583409      2.814522      8.016439
  N      -2.624820      2.526394      6.913664
  C      -1.917013      3.752507      6.455834
  C      -2.846416      4.562816      5.573238
  C      -1.664449      1.442847      7.262738
  C      -1.222274      0.746311      5.982703
  N      -2.411355      0.505431      5.169234
  H      -2.257247      5.305105      5.005777
  H      -3.570723      5.136511      6.181395
  H      -1.050657      3.425922      5.865071
  H      -1.549027      4.332807      7.318346
  H      -0.728793     -0.205744      6.237932
  H      -0.477205      1.354365      5.436395
  H      -2.196202      0.720618      7.896246
  H      -0.816581      1.853006      7.836340
  H      -5.493352      2.086176      8.683928
  H      -4.268836      0.816342      8.526421
  H      -4.049157      3.785101      7.797587
  H      -3.052258      2.896520      8.979335
  C      -4.166880      4.321607      3.514918
  C      -5.427354      5.123046      3.867339
  C      -6.591273      4.252183      4.288387
  O      -6.984653      3.486771      3.118506
  C      -8.029076      2.663781      3.246270
  N      -8.629674      2.512532      4.411624
  C      -9.713507      1.690168      4.444983
  N     -10.265408      1.038838      3.443224
  C      -9.645421      1.183700      2.229970
  C     -10.161413      0.535631      1.082737
  C      -9.498731      0.687607     -0.116020
  C      -8.324874      1.473941     -0.163436
  N      -7.816444      2.108540      0.884930
  C      -8.474208      1.975181      2.063462
  C      -2.457510     -0.721513      4.373862
  C      -2.147762     -0.489202      2.883685
  C      -2.837181     -1.541251      2.029399
  O      -2.600140     -1.318281      0.611687
  C      -3.295618     -0.394481     -0.035159
  N      -4.235546      0.341856      0.549142
  C      -4.899449      1.268625     -0.208839
  N      -4.727308      1.515867     -1.484204
  C      -3.768571      0.763549     -2.115453
  C      -3.509089      0.951075     -3.493412
  C      -2.533273      0.183706     -4.092299
  C      -1.823416     -0.762161     -3.315471
  N      -2.038102     -0.970019     -2.023386
  C      -2.997732     -0.217972     -1.434555
  C      -6.292352      0.591756      6.633482
  C      -5.967773     -0.871688      6.986124
  C      -7.005833     -1.837257      6.451687
  O      -6.791875     -1.965904      5.013907
  C      -7.857271     -2.117075      4.219750
  N      -9.081445     -2.048545      4.705330
  C     -10.112746     -2.198282      3.835208
  N     -10.045785     -2.433133      2.540884
  C      -8.782261     -2.523533      2.023489
  C      -8.603027     -2.783975      0.644086
  C      -7.322103     -2.895672      0.150741
  C      -6.230698     -2.743046      1.035122
  N      -6.351126     -2.479357      2.329438
  C      -7.611055     -2.369000      2.820864
  H      -3.422918      4.996181      3.053061
  H      -4.423181      3.566262      2.760271
  H      -5.219112      5.838706      4.677252
  H      -5.719172      5.719580      2.989000
  H      -7.449079      4.845082      4.635203
  H      -6.316842      3.553280      5.095609
  H     -10.176804      1.573050      5.428540
  H     -11.057709     -0.076283      1.182233
  H      -9.860684      0.205152     -1.024795
  H      -7.779605      1.583232     -1.106597
  H      -1.763665     -1.463174      4.802811
  H      -3.467611     -1.156466      4.459842
  H      -1.063586     -0.494481      2.698815
  H      -2.522568      0.506933      2.608247
  H      -3.919367     -1.575027      2.227276
  H      -2.423247     -2.542515      2.203632
  H      -5.652426      1.851859      0.333964
  H      -4.086234      1.696916     -4.041228
  H      -2.300011      0.293909     -5.152226
  H      -1.045518     -1.373353     -3.781830
  H      -6.701034      0.638185      5.616578
  H      -7.076888      0.973195      7.313028
  H      -4.982856     -1.134128      6.566319
  H      -5.900378     -1.008116      8.076210
  H      -8.033238     -1.498009      6.637020
  H      -6.883977     -2.842977      6.879656
  H     -11.109654     -2.113266      4.274718
  H      -9.486211     -2.899259      0.014260
  H      -7.136880     -3.105804     -0.903363
  H      -5.211518     -2.851684      0.652178
  N      -4.892363      1.095868      3.789734
  N      -5.538272      0.574621      2.922029
  H      -4.988446      0.333456      1.974551
98
Coordinates from ORCA-job orca E -6532.382381654115
  N      -3.551764      3.675641      4.658271
  Mo     -3.906488      1.808280      5.180653
  N      -5.131165      1.465305      6.681627
  C      -4.656736      1.724963      8.040031
  C      -3.588958      2.805115      8.009326
  N      -2.632380      2.530222      6.901033
  C      -1.931169      3.762733      6.450951
  C      -2.868955      4.577979      5.582325
  C      -1.666545      1.448230      7.238101
  C      -1.227709      0.762334      5.951314
  N      -2.419185      0.523682      5.140984
  H      -2.286793      5.328783      5.019131
  H      -3.591088      5.142222      6.201694
  H      -1.067482      3.444714      5.851470
  H      -1.559877      4.335925      7.316773
  H      -0.729873     -0.189810      6.198112
  H      -0.486720      1.375784      5.405419
  H      -2.193125      0.720388      7.869444
  H      -0.817399      1.857388      7.810454
  H      -5.493716      2.061931      8.677679
  H      -4.263932      0.799878      8.504183
  H      -4.059156      3.775620      7.800651
  H      -3.054924      2.881229      8.971010
  C      -4.211107      4.355981      3.538865
  C      -5.466895      5.149636      3.925651
  C      -6.619470      4.272298      4.366108
  O      -7.044265      3.517801      3.199530
  C      -8.087715      2.697417      3.349214
  N      -8.650767      2.532874      4.530815
  C      -9.732334      1.709384      4.589945
  N     -10.316483      1.070594      3.598842
  C      -9.737258      1.231038      2.367853
  C     -10.291159      0.595486      1.231271
  C      -9.668621      0.761721      0.012967
  C      -8.496778      1.548885     -0.064189
  N      -7.953873      2.171683      0.973826
  C      -8.572356      2.024651      2.172095
  C      -2.471075     -0.707915      4.352550
  C      -2.153345     -0.491945      2.861474
  C      -2.833497     -1.556351      2.014560
  O      -2.565716     -1.362151      0.597875
  C      -3.251302     -0.459083     -0.087575
  N      -4.214867      0.279476      0.453899
  C      -4.859328      1.189749     -0.340517
  N      -4.646563      1.417171     -1.613405
  C      -3.664177      0.659988     -2.201242
  C      -3.360379      0.826950     -3.572391
  C      -2.361321      0.055899     -4.126569
  C      -1.671754     -0.872952     -3.312459
  N      -1.927473     -1.060913     -2.025042
  C      -2.910764     -0.305822     -1.480030
  C      -6.295500      0.585284      6.617846
  C      -5.967170     -0.878961      6.962574
  C      -6.999514     -1.844927      6.418530
  O      -6.776088     -1.964893      4.981696
  C      -7.835529     -2.114478      4.178622
  N      -9.063946     -2.054239      4.654319
  C     -10.087563     -2.202565      3.775114
  N     -10.009170     -2.431368      2.480457
  C      -8.740716     -2.510726      1.972997
  C      -8.548801     -2.760752      0.593499
  C      -7.263094     -2.855028      0.108570
  C      -6.180008     -2.695209      1.001045
  N      -6.312346     -2.443903      2.296766
  C      -7.576700     -2.351795      2.780184
  H      -3.475943      5.037472      3.073721
  H      -4.477920      3.609705      2.779044
  H      -5.242089      5.856393      4.739022
  H      -5.779589      5.755092      3.060706
  H      -7.468601      4.860999      4.740365
  H      -6.324351      3.565388      5.159121
  H     -10.162660      1.581015      5.585669
  H     -11.183510     -0.018255      1.353660
  H     -10.060906      0.289049     -0.888420
  H      -7.980933      1.666373     -1.022804
  H      -1.783134     -1.450303      4.789127
  H      -3.483389     -1.137130      4.439418
  H      -1.067962     -0.500229      2.684573
  H      -2.526489      0.500426      2.570892
  H      -3.919115     -1.582785      2.192585
  H      -2.425893     -2.555304      2.215646
  H      -5.636891      1.772676      0.166781
  H      -3.922773      1.560842     -4.150213
  H      -2.093702      0.151024     -5.179438
  H      -0.874403     -1.486146     -3.742958
  H      -6.707002      0.637651      5.602223
  H      -7.078983      0.961480      7.301429
  H      -4.980541     -1.135727      6.544220
  H      -5.901868     -1.020841      8.052124
  H      -8.028469     -1.509537      6.599592
  H      -6.876660     -2.852311      6.842090
  H     -11.088496     -2.119840      4.205493
  H      -9.425768     -2.880232     -0.043809
  H      -7.068282     -3.055962     -0.945733
  H      -5.157862     -2.787188      0.624440
  N      -4.906544      1.127040      3.768953
  N      -5.552090      0.618542      2.893678
  H      -5.004333      0.408520      1.939890
98
Coordinates from ORCA-job orca E -6532.373741051056
  N      -3.484660      3.640667      4.584803
  Mo     -3.838463      1.783274      5.131874
  N      -5.139941      1.473969      6.569473
  C      -4.731266      1.759675      7.944912
  C      -3.662715      2.843435      7.944252
  N      -2.653745      2.552955      6.886376
  C      -1.937835      3.779438      6.437082
  C      -2.844911      4.569754      5.513020
  C      -1.693839      1.490851      7.295425
  C      -1.188381      0.781621      6.046084
  N      -2.341450      0.514792      5.192430
  H      -2.248561      5.316417      4.959866
  H      -3.596321      5.138194      6.091969
  H      -1.048469      3.452620      5.880820
  H      -1.606446      4.372479      7.305388
  H      -0.698586     -0.162333      6.337093
  H      -0.425869      1.386760      5.521491
  H      -2.239604      0.769446      7.917524
  H      -0.872891      1.920933      7.892984
  H      -5.596795      2.111803      8.534257
  H      -4.361792      0.845012      8.446937
  H      -4.128972      3.805985      7.692998
  H      -3.172931      2.943779      8.926950
  C      -4.146921      4.291229      3.445464
  C      -5.386033      5.115563      3.825359
  C      -6.540005      4.273139      4.331006
  O      -7.023628      3.482748      3.211192
  C      -8.060337      2.674938      3.446799
  N      -8.543392      2.548089      4.669969
  C      -9.632586      1.743113      4.821897
  N     -10.288880      1.086155      3.890596
  C      -9.785807      1.200932      2.619844
  C     -10.416738      0.534040      1.543735
  C      -9.868246      0.646241      0.283649
  C      -8.696953      1.414740      0.108026
  N      -8.082073      2.067992      1.087336
  C      -8.625586      1.970566      2.323954
  C      -2.353508     -0.727516      4.424297
  C      -2.044099     -0.514561      2.931551
  C      -2.699952     -1.604801      2.098859
  O      -2.475718     -1.399371      0.679375
  C      -3.254756     -0.558041      0.010642
  N      -4.297164      0.052635      0.564130
  C      -5.035594      0.903345     -0.213691
  N      -4.839076      1.186293     -1.476681
  C      -3.771652      0.566817     -2.075284
  C      -3.474503      0.815262     -3.433790
  C      -2.388839      0.179668     -3.996238
  C      -1.610414     -0.699443     -3.203714
  N      -1.855706     -0.959789     -1.927855
  C      -2.923059     -0.334939     -1.373828
  C      -6.316667      0.615201      6.464097
  C      -6.035120     -0.854224      6.824500
  C      -7.080629     -1.788549      6.251034
  O      -6.823650     -1.904019      4.822253
  C      -7.868651     -2.029381      3.997888
  N      -9.103502     -1.938384      4.448125
  C     -10.111704     -2.062672      3.545724
  N     -10.010998     -2.291166      2.252594
  C      -8.733700     -2.401100      1.772757
  C      -8.515051     -2.653544      0.398205
  C      -7.220214     -2.774656     -0.059057
  C      -6.154661     -2.639761      0.858939
  N      -6.312591     -2.389434      2.151418
  C      -7.586535     -2.269846      2.605665
  H      -3.409469      4.949889      2.950643
  H      -4.428128      3.521451      2.713552
  H      -5.126568      5.844453      4.609351
  H      -5.710803      5.697329      2.948464
  H      -7.370009      4.889373      4.705958
  H      -6.230849      3.594157      5.144791
  H      -9.999731      1.641006      5.851261
  H     -11.304812     -0.066213      1.742604
  H     -10.320722      0.146390     -0.573952
  H      -8.240240      1.489436     -0.882620
  H      -1.646989     -1.448446      4.869406
  H      -3.354382     -1.184503      4.507300
  H      -0.961888     -0.489533      2.737886
  H      -2.456723      0.462463      2.638508
  H      -3.780178     -1.671788      2.297482
  H      -2.251768     -2.588052      2.291873
  H      -5.888726      1.374670      0.288201
  H      -4.110793      1.504331     -3.992177
  H      -2.118497      0.345732     -5.039326
  H      -0.745377     -1.206309     -3.643426
  H      -6.693849      0.669126      5.434221
  H      -7.115952      1.010234      7.118338
  H      -5.046169     -1.139612      6.428123
  H      -6.000681     -0.991950      7.915660
  H      -8.103264     -1.423287      6.407621
  H      -7.002344     -2.800087      6.675936
  H     -11.121004     -1.954204      3.956019
  H      -9.379913     -2.750150     -0.259905
  H      -7.006276     -2.978191     -1.109529
  H      -5.125284     -2.751262      0.504772
  N      -4.727743      1.056347      3.668639
  N      -5.296582      0.515637      2.758997
  H      -4.664018      0.280946      1.878443
98
Coordinates from ORCA-job orca E -6532.381590629256
  N      -3.538819      3.657729      4.670487
  Mo     -3.855333      1.787383      5.201800
  N      -5.092515      1.431130      6.686665
  C      -4.639642      1.703715      8.050258
  C      -3.592890      2.805401      8.028345
  N      -2.619745      2.545771      6.930863
  C      -1.936586      3.788394      6.478926
  C      -2.881856      4.579457      5.595678
  C      -1.632820      1.489140      7.286827
  C      -1.161300      0.809751      6.008183
  N      -2.336981      0.540110      5.184705
  H      -2.309736      5.339475      5.034393
  H      -3.622607      5.131903      6.203707
  H      -1.061451      3.482699      5.889734
  H      -1.584792      4.373385      7.344897
  H      -0.648590     -0.131547      6.265064
  H      -0.425566      1.437027      5.471468
  H      -2.147378      0.748704      7.913475
  H      -0.799324      1.920804      7.865762
  H      -5.490241      2.029627      8.676033
  H      -4.235392      0.788188      8.523265
  H      -4.082135      3.764692      7.809347
  H      -3.070160      2.897103      8.995085
  C      -4.220934      4.325900      3.552960
  C      -5.469801      5.128119      3.945385
  C      -6.636237      4.262712      4.370824
  O      -7.070824      3.550023      3.181797
  C      -8.128029      2.740428      3.291349
  N      -8.701786      2.532609      4.463172
  C      -9.814579      1.745756      4.473480
  N     -10.417134      1.182055      3.448308
  C      -9.821646      1.382560      2.229614
  C     -10.390130      0.829272      1.058052
  C      -9.749786      1.028925     -0.146066
  C      -8.549201      1.772517     -0.174114
  N      -7.991662      2.322405      0.897637
  C      -8.624652      2.139001      2.081627
  C      -2.347951     -0.690336      4.395038
  C      -2.054386     -0.463165      2.899925
  C      -2.705858     -1.557879      2.069197
  O      -2.488644     -1.363194      0.645068
  C      -3.253974     -0.515967     -0.030375
  N      -4.264654      0.142288      0.525182
  C      -4.999263      0.986263     -0.262299
  N      -4.831802      1.221727     -1.539945
  C      -3.799059      0.549640     -2.142219
  C      -3.536499      0.735045     -3.519534
  C      -2.489224      0.043307     -4.088666
  C      -1.715004     -0.827601     -3.282987
  N      -1.927909     -1.028659     -1.989971
  C      -2.955899     -0.348763     -1.430179
  C      -6.249482      0.542471      6.608779
  C      -5.909777     -0.921736      6.943226
  C      -6.940690     -1.886655      6.394444
  O      -6.723854     -1.991642      4.956172
  C      -7.790561     -2.151760      4.167132
  N      -9.010218     -2.090562      4.662344
  C     -10.046786     -2.243136      3.798503
  N      -9.987850     -2.476998      2.503362
  C      -8.727704     -2.561009      1.976387
  C      -8.555918     -2.817154      0.595377
  C      -7.277676     -2.911219      0.090359
  C      -6.180583     -2.747256      0.966771
  N      -6.295120     -2.491844      2.263233
  C      -7.553011     -2.396914      2.764981
  H      -3.491600      5.007766      3.077684
  H      -4.494741      3.576226      2.798017
  H      -5.233865      5.825872      4.763620
  H      -5.776384      5.744545      3.086156
  H      -7.477236      4.859905      4.751058
  H      -6.357806      3.536031      5.152234
  H     -10.257161      1.574861      5.463464
  H     -11.305934      0.244657      1.142706
  H     -10.151238      0.618347     -1.073364
  H      -8.022117      1.919172     -1.121461
  H      -1.625674     -1.406199      4.822890
  H      -3.341985     -1.160620      4.489157
  H      -0.972607     -0.427502      2.703930
  H      -2.474041      0.512001      2.612436
  H      -3.784727     -1.629616      2.275041
  H      -2.253233     -2.538599      2.262591
  H      -5.817241      1.503151      0.252163
  H      -4.168794      1.419303     -4.089060
  H      -2.248134      0.156442     -5.147001
  H      -0.884408     -1.381988     -3.726785
  H      -6.657366      0.595676      5.591630
  H      -7.040269      0.905940      7.291314
  H      -4.923397     -1.170292      6.515459
  H      -5.839171     -1.070519      8.031241
  H      -7.970724     -1.555578      6.583701
  H      -6.816783     -2.897334      6.810760
  H     -11.041102     -2.153926      4.245860
  H      -9.443298     -2.938227     -0.028322
  H      -7.098906     -3.115194     -0.966101
  H      -5.161044     -2.837896      0.572821
  N      -4.818149      1.069304      3.783509
  N      -5.445956      0.531938      2.911485
  H      -4.882369      0.297160      1.980737
98
Coordinates from ORCA-job orca E -6532.370583158217
  N      -3.553403      3.686609      4.630267
  Mo     -3.930631      1.822129      5.147235
  N      -5.163277      1.499064      6.646294
  C      -4.686964      1.746082      8.005949
  C      -3.603124      2.810063      7.978965
  N      -2.649560      2.522388      6.870968
  C      -1.930812      3.744422      6.420836
  C      -2.855908      4.576454      5.554136
  C      -1.701593      1.425441      7.210399
  C      -1.271437      0.730334      5.925338
  N      -2.463251      0.513554      5.108848
  H      -2.262244      5.318973      4.992536
  H      -3.567491      5.150782      6.175984
  H      -1.074303      3.412633      5.818566
  H      -1.548071      4.310576      7.286253
  H      -0.789802     -0.230056      6.173560
  H      -0.518500      1.330545      5.380924
  H      -2.241564      0.708681      7.842941
  H      -0.847117      1.822296      7.783222
  H      -5.519773      2.092387      8.643245
  H      -4.308430      0.813878      8.467555
  H      -4.057213      3.788133      7.773493
  H      -3.069027      2.874866      8.940934
  C      -4.222720      4.371194      3.523713
  C      -5.468186      5.180516      3.907766
  C      -6.605402      4.306991      4.393775
  O      -7.008345      3.480780      3.269377
  C      -8.022430      2.636739      3.464609
  N      -8.607391      2.543887      4.640277
  C      -9.645845      1.673783      4.743946
  N     -10.163135      0.917889      3.799226
  C      -9.552909      0.996985      2.576421
  C     -10.022838      0.218017      1.492405
  C      -9.363004      0.304044      0.284086
  C      -8.236645      1.153569      0.166533
  N      -7.774016      1.906040      1.154818
  C      -8.431989      1.838504      2.339820
  C      -2.526983     -0.714550      4.314215
  C      -2.185679     -0.497901      2.828030
  C      -2.880718     -1.534812      1.959677
  O      -2.575751     -1.333547      0.550568
  C      -3.203076     -0.380944     -0.121109
  N      -4.090489      0.425783      0.449187
  C      -4.686283      1.387373     -0.318953
  N      -4.488573      1.610763     -1.595282
  C      -3.580596      0.784398     -2.213682
  C      -3.296413      0.938519     -3.590208
  C      -2.377759      0.094020     -4.176408
  C      -1.746650     -0.895020     -3.390475
  N      -1.982743     -1.071133     -2.098265
  C      -2.887000     -0.243907     -1.520661
  C      -6.353646      0.655143      6.577648
  C      -6.070715     -0.821061      6.914787
  C      -7.131658     -1.758237      6.373566
  O      -6.907198     -1.889445      4.937330
  C      -7.960100     -2.038570      4.120911
  N      -9.198356     -1.971367      4.573077
  C     -10.207306     -2.110185      3.675452
  N     -10.107598     -2.334160      2.382140
  C      -8.829697     -2.419924      1.899020
  C      -8.614087     -2.663982      0.521978
  C      -7.319966     -2.763172      0.060689
  C      -6.252903     -2.616810      0.972799
  N      -6.406920     -2.375666      2.268204
  C      -7.678336     -2.275234      2.728593
  H      -3.485271      5.032414      3.035149
  H      -4.511597      3.616374      2.782057
  H      -5.238491      5.912198      4.697260
  H      -5.791368      5.757490      3.027312
  H      -7.463130      4.896078      4.746906
  H      -6.293491      3.641564      5.215151
  H     -10.097449      1.614946      5.729191
  H     -10.880673     -0.437286      1.647231
  H      -9.691452     -0.279439     -0.577040
  H      -7.688247      1.208925     -0.781025
  H      -1.856231     -1.469822      4.752707
  H      -3.546429     -1.126901      4.391050
  H      -1.098809     -0.534780      2.667917
  H      -2.527797      0.505513      2.538575
  H      -3.969936     -1.525827      2.115377
  H      -2.509139     -2.548395      2.160149
  H      -5.395544      2.022322      0.223235
  H      -3.810910      1.718809     -4.146763
  H      -2.129290      0.177209     -5.233665
  H      -1.015063     -1.569870     -3.846649
  H      -6.764609      0.730480      5.563601
  H      -7.124035      1.050225      7.264788
  H      -5.095785     -1.107025      6.492855
  H      -6.004312     -0.965191      8.004067
  H      -8.149117     -1.393423      6.552815
  H      -7.037791     -2.766938      6.800720
  H     -11.215108     -2.029064      4.086699
  H      -9.478792     -2.772637     -0.132474
  H      -7.107324     -2.958546     -0.991332
  H      -5.227949     -2.708474      0.614256
  N      -4.967379      1.182369      3.741223
  N      -5.649798      0.702759      2.876100
  H      -5.141204      0.452820      1.912371
98
Coordinates from ORCA-job orca E -6532.381520041797
  N      -3.540541      3.633156      4.623991
  Mo     -3.899774      1.773687      5.167910
  N      -5.122574      1.465024      6.676119
  C      -4.644538      1.739535      8.030180
  C      -3.566437      2.808114      7.982317
  N      -2.615624      2.508155      6.875088
  C      -1.907087      3.728622      6.406334
  C      -2.845445      4.539990      5.535297
  C      -1.656417      1.423449      7.224620
  C      -1.226430      0.717153      5.945147
  N      -2.421759      0.479413      5.140405
  H      -2.261885      5.281369      4.961335
  H      -3.560024      5.115201      6.153113
  H      -1.050303      3.396942      5.804330
  H      -1.525413      4.308608      7.263007
  H      -0.736115     -0.236419      6.201452
  H      -0.481693      1.317785      5.390480
  H      -2.185443      0.707972      7.867889
  H      -0.801520      1.834179      7.787279
  H      -5.477303      2.092650      8.664588
  H      -4.258580      0.817677      8.506244
  H      -4.027730      3.780196      7.761571
  H      -3.028840      2.892278      8.941306
  C      -4.213393      4.319399      3.515188
  C      -5.450832      5.131792      3.921768
  C      -6.615713      4.274680      4.372744
  O      -7.048457      3.532512      3.201413
  C      -8.113362      2.735630      3.319289
  N      -8.717554      2.574464      4.480818
  C      -9.824950      1.780891      4.493444
  N     -10.395194      1.171704      3.476063
  C      -9.768354      1.325899      2.267630
  C     -10.297992      0.717751      1.105006
  C      -9.624401      0.873785     -0.088185
  C      -8.426326      1.623724     -0.113524
  N      -7.906836      2.223279      0.949508
  C      -8.575854      2.087237      2.120908
  C      -2.488205     -0.753318      4.356489
  C      -2.183762     -0.531487      2.863976
  C      -2.890352     -1.574401      2.012248
  O      -2.637351     -1.358225      0.597285
  C      -3.315133     -0.419963     -0.049433
  N      -4.235591      0.335602      0.541221
  C      -4.879701      1.279864     -0.211215
  N      -4.700256      1.532205     -1.484270
  C      -3.758236      0.762913     -2.121026
  C      -3.489462      0.958378     -3.495386
  C      -2.532263      0.172021     -4.099885
  C      -1.849647     -0.801251     -3.332836
  N      -2.071955     -1.015937     -2.043462
  C      -3.013470     -0.244617     -1.448355
  C      -6.301243      0.606212      6.625512
  C      -5.996905     -0.852768      7.009198
  C      -7.034887     -1.814128      6.473479
  O      -6.767670     -1.975329      5.049294
  C      -7.794978     -2.143893      4.210274
  N      -9.041945     -2.047313      4.627224
  C     -10.026345     -2.218182      3.708236
  N      -9.892732     -2.508284      2.430224
  C      -8.603273     -2.624490      1.985438
  C      -8.349737     -2.940404      0.629590
  C      -7.043570     -3.064660      0.209689
  C      -6.001090     -2.869955      1.143202
  N      -6.191355     -2.561765      2.418735
  C      -7.476273     -2.440157      2.837183
  H      -3.474892      4.989208      3.037848
  H      -4.504711      3.577835      2.759628
  H      -5.199862      5.835544      4.730194
  H      -5.768207      5.740641      3.061188
  H      -7.455364      4.880147      4.742434
  H      -6.334879      3.564212      5.168011
  H     -10.294110      1.657171      5.471507
  H     -11.213659      0.132078      1.188171
  H      -9.996447      0.420697     -1.007864
  H      -7.866423      1.728607     -1.048499
  H      -1.802207     -1.501977      4.785543
  H      -3.503413     -1.174492      4.450190
  H      -1.101244     -0.552873      2.672053
  H      -2.547442      0.468743      2.587747
  H      -3.974741     -1.583654      2.200738
  H      -2.497900     -2.583224      2.193895
  H      -5.621198      1.874473      0.335234
  H      -4.045002      1.725326     -4.035265
  H      -2.291696      0.289315     -5.156835
  H      -1.085814     -1.427681     -3.804558
  H      -6.706928      0.643917      5.606595
  H      -7.082251      1.008376      7.296958
  H      -5.010127     -1.135984      6.608648
  H      -5.945423     -0.966399      8.102738
  H      -8.061220     -1.455484      6.619411
  H      -6.941283     -2.811302      6.927714
  H     -11.043652     -2.099590      4.088870
  H      -9.197301     -3.082403     -0.042010
  H      -6.802205     -3.315490     -0.824134
  H      -4.963806     -2.983234      0.819123
  N      -4.912116      1.084112      3.768834
  N      -5.573834      0.569734      2.906983
  H      -5.041637      0.313918      1.962075
98
Coordinates from ORCA-job orca E -6532.378532007290
  N      -3.588141      3.705136      4.742372
  Mo     -3.817985      1.811664      5.237490
  N      -5.035407      1.373750      6.716652
  C      -4.586199      1.630174      8.084536
  C      -3.593984      2.781677      8.085680
  N      -2.612140      2.593717      6.981612
  C      -1.992760      3.876777      6.555153
  C      -2.976057      4.637928      5.686971
  C      -1.575410      1.580112      7.315968
  C      -1.078755      0.944590      6.025792
  N      -2.245892      0.634258      5.205253
  H      -2.439148      5.433933      5.140787
  H      -3.741453      5.144412      6.304422
  H      -1.104524      3.626753      5.958904
  H      -1.667777      4.461442      7.431806
  H      -0.520055      0.025658      6.267022
  H      -0.376227      1.611929      5.492449
  H      -2.053821      0.808034      7.933036
  H      -0.761640      2.040627      7.900716
  H      -5.447995      1.897536      8.722340
  H      -4.137110      0.722791      8.532490
  H      -4.128737      3.721586      7.891286
  H      -3.073052      2.876079      9.053170
  C      -4.277910      4.373121      3.628911
  C      -5.570513      5.103812      4.022547
  C      -6.709110      4.181006      4.404696
  O      -7.094657      3.482191      3.189882
  C      -8.135787      2.647060      3.256243
  N      -8.736618      2.406519      4.407296
  C      -9.822075      1.583053      4.376889
  N     -10.374781      1.011863      3.328531
  C      -9.756027      1.251660      2.129326
  C     -10.277059      0.697218      0.936447
  C      -9.619898      0.942355     -0.248871
  C      -8.445546      1.727573     -0.237377
  N      -7.931835      2.278405      0.855906
  C      -8.585212      2.053970      2.022395
  C      -2.213640     -0.597078      4.416236
  C      -1.931306     -0.380560      2.918854
  C      -2.551462     -1.520747      2.126384
  O      -2.351118     -1.379969      0.693115
  C      -3.142124     -0.584145     -0.014315
  N      -4.158576      0.087214      0.515998
  C      -4.903614      0.888899     -0.307411
  N      -4.745675      1.064379     -1.596238
  C      -3.716595      0.365614     -2.172871
  C      -3.469563      0.476828     -3.561441
  C      -2.424410     -0.239204     -4.103597
  C      -1.633965     -1.056704     -3.259134
  N      -1.831571     -1.186154     -1.955061
  C      -2.858951     -0.485492     -1.422756
  C      -6.164894      0.452391      6.615996
  C      -5.779510     -1.018288      6.849964
  C      -6.824408     -1.963360      6.291408
  O      -6.717996     -1.953525      4.835555
  C      -7.854942     -2.091409      4.145457
  N      -9.009063     -2.145165      4.778345
  C     -10.133546     -2.277357      4.030785
  N     -10.219952     -2.391670      2.721612
  C      -9.030232     -2.349796      2.047088
  C      -9.019720     -2.470387      0.637386
  C      -7.811532     -2.438623     -0.023058
  C      -6.624111     -2.281753      0.726688
  N      -6.587113     -2.152441      2.048047
  C      -7.775148     -2.188091      2.705536
  H      -3.569616      5.101877      3.193999
  H      -4.499484      3.638435      2.842538
  H      -5.375637      5.789096      4.861579
  H      -5.895523      5.728566      3.176118
  H      -7.580260      4.737653      4.778096
  H      -6.420729      3.448136      5.176098
  H     -10.285643      1.385386      5.352587
  H     -11.175993      0.083485      0.990471
  H      -9.988142      0.535985     -1.191697
  H      -7.905104      1.908710     -1.171015
  H      -1.469311     -1.283850      4.853221
  H      -3.191400     -1.099796      4.513097
  H      -0.852171     -0.314524      2.715358
  H      -2.383704      0.573728      2.613846
  H      -3.623826     -1.619594      2.342709
  H      -2.063813     -2.476644      2.355395
  H      -5.717165      1.429951      0.188564
  H      -4.112127      1.123865     -4.162207
  H      -2.197084     -0.185531     -5.169851
  H      -0.803993     -1.629002     -3.679273
  H      -6.599560      0.548142      5.613197
  H      -6.947920      0.758633      7.335016
  H      -4.809493     -1.217105      6.363337
  H      -5.653024     -1.233395      7.921747
  H      -7.844543     -1.666584      6.570803
  H      -6.659608     -2.999549      6.621772
  H     -11.068851     -2.291405      4.596291
  H      -9.970359     -2.590821      0.114970
  H      -7.756124     -2.535890     -1.107993
  H      -5.659554     -2.265847      0.204368
  N      -4.739521      1.074405      3.803311
  N      -5.327980      0.531461      2.909241
  H      -4.725775      0.362668      1.994872
98
Coordinates from ORCA-job orca E -6532.382015202233
  N      -3.535396      3.680623      4.681741
  Mo     -3.845475      1.805162      5.197701
  N      -5.084757      1.440991      6.678920
  C      -4.631654      1.699534      8.044885
  C      -3.586810      2.802971      8.032725
  N      -2.611475      2.553876      6.934649
  C      -1.933433      3.802294      6.491949
  C      -2.881111      4.596700      5.614230
  C      -1.623035      1.496949      7.284533
  C      -1.150351      0.825454      6.002704
  N      -2.325376      0.559617      5.177851
  H      -2.311009      5.362059      5.058466
  H      -3.622563      5.142692      6.226730
  H      -1.057321      3.504092      5.900226
  H      -1.583245      4.382597      7.361695
  H      -0.634108     -0.115712      6.253724
  H      -0.416968      1.457397      5.468097
  H      -2.137891      0.754071      7.907892
  H      -0.791001      1.926789      7.866717
  H      -5.482692      2.016467      8.674045
  H      -4.225951      0.779572      8.508145
  H      -4.076387      3.763388      7.822025
  H      -3.065354      2.887065      9.000582
  C      -4.213562      4.356628      3.569008
  C      -5.476587      5.130863      3.970726
  C      -6.626021      4.239441      4.393130
  O      -7.045980      3.511341      3.208928
  C      -8.099947      2.701171      3.328454
  N      -8.680881      2.520738      4.499510
  C      -9.786248      1.725516      4.522662
  N     -10.375811      1.130970      3.508059
  C      -9.773693      1.304738      2.289233
  C     -10.330725      0.718333      1.128681
  C      -9.684449      0.893553     -0.076242
  C      -8.486002      1.641664     -0.115518
  N      -7.940871      2.223254      0.945675
  C      -8.583216      2.067627      2.129436
  C      -2.337120     -0.669766      4.386647
  C      -2.028113     -0.438977      2.895506
  C      -2.683975     -1.522190      2.054288
  O      -2.446827     -1.327478      0.633102
  C      -3.183138     -0.458465     -0.046659
  N      -4.161150      0.247911      0.509743
  C      -4.862626      1.117237     -0.281298
  N      -4.694031      1.331755     -1.562898
  C      -3.699944      0.603292     -2.166430
  C      -3.445183      0.753906     -3.549213
  C      -2.440310      0.003266     -4.120608
  C      -1.697321     -0.889424     -3.311964
  N      -1.902740     -1.057815     -2.013288
  C      -2.890254     -0.321271     -1.450916
  C      -6.252641      0.567099      6.591263
  C      -5.933187     -0.907763      6.895080
  C      -6.988009     -1.848430      6.346992
  O      -6.799772     -1.944706      4.902673
  C      -7.882459     -2.112141      4.133145
  N      -9.094266     -2.062152      4.651133
  C     -10.146660     -2.241244      3.812089
  N     -10.111798     -2.503208      2.522457
  C      -8.861384     -2.576079      1.971644
  C      -8.716383     -2.868408      0.594893
  C      -7.448795     -2.949060      0.062831
  C      -6.336416     -2.733387      0.906366
  N      -6.424688     -2.445926      2.198584
  C      -7.671501     -2.369811      2.729406
  H      -3.490706      5.053297      3.106780
  H      -4.472676      3.612901      2.803666
  H      -5.252756      5.825333      4.794998
  H      -5.797312      5.748356      3.117229
  H      -7.479245      4.819797      4.772039
  H      -6.334080      3.518733      5.174834
  H     -10.234286      1.582079      5.510175
  H     -11.246102      0.133468      1.222526
  H     -10.078342      0.457516     -0.995167
  H      -7.949959      1.763134     -1.062068
  H      -1.626195     -1.392224      4.820667
  H      -3.335613     -1.131387      4.470690
  H      -0.944322     -0.415581      2.710503
  H      -2.434118      0.541622      2.608677
  H      -3.765071     -1.578849      2.247171
  H      -2.246251     -2.508938      2.253303
  H      -5.651187      1.676791      0.235017
  H      -4.050903      1.457105     -4.121878
  H      -2.209791      0.085889     -5.183273
  H      -0.900569     -1.491873     -3.757440
  H      -6.665761      0.646297      5.577804
  H      -7.034218      0.928910      7.284840
  H      -4.956780     -1.165522      6.453174
  H      -5.850546     -1.074982      7.979698
  H      -8.008238     -1.503352      6.556586
  H      -6.874007     -2.865539      6.749711
  H     -11.132369     -2.157152      4.277358
  H      -9.614510     -3.026614     -0.003562
  H      -7.290148     -3.179045     -0.991632
  H      -5.327710     -2.808165      0.489870
  N      -4.813176      1.099440      3.776924
  N      -5.445572      0.572574      2.901473
  H      -4.878507      0.323153      1.980630
98
Coordinates from ORCA-job orca E -6532.381148416368
  N      -3.508946      3.645717      4.647231
  Mo     -3.898049      1.792616      5.187156
  N      -5.123404      1.493441      6.695173
  C      -4.639736      1.754040      8.050317
  C      -3.546991      2.808018      8.006392
  N      -2.602304      2.501168      6.895505
  C      -1.877645      3.715202      6.430534
  C      -2.802821      4.542792      5.559362
  C      -1.657054      1.400622      7.235973
  C      -1.238983      0.694827      5.951774
  N      -2.439167      0.476506      5.147898
  H      -2.208083      5.275603      4.985853
  H      -3.510562      5.127504      6.176261
  H      -1.024394      3.373822      5.829000
  H      -1.489278      4.287596      7.289204
  H      -0.762197     -0.266864      6.202238
  H      -0.487172      1.288695      5.399694
  H      -2.194382      0.687515      7.874933
  H      -0.796064      1.796106      7.799972
  H      -5.466610      2.115327      8.687741
  H      -4.265860      0.824130      8.520548
  H      -3.995535      3.787262      7.790294
  H      -3.007003      2.880014      8.965002
  C      -4.163044      4.324109      3.522395
  C      -5.414224      5.127240      3.902045
  C      -6.578732      4.253056      4.317984
  O      -6.998600      3.518391      3.137399
  C      -8.044170      2.697835      3.268936
  N      -8.607039      2.513053      4.448706
  C      -9.696825      1.698690      4.492499
  N     -10.285015      1.081992      3.490376
  C      -9.703251      1.259749      2.262316
  C     -10.264878      0.654046      1.113905
  C      -9.642679      0.837667     -0.101658
  C      -8.462954      1.613575     -0.164622
  N      -7.911662      2.210296      0.885102
  C      -8.530986      2.046826      2.080620
  C      -2.526299     -0.753788      4.360689
  C      -2.231278     -0.534349      2.864321
  C      -2.942789     -1.577326      2.014254
  O      -2.693014     -1.364091      0.598806
  C      -3.391340     -0.448715     -0.058188
  N      -4.352812      0.266137      0.515584
  C      -5.007219      1.197210     -0.244663
  N      -4.805201      1.468824     -1.511038
  C      -3.824020      0.736631     -2.130979
  C      -3.528040      0.955741     -3.496529
  C      -2.525684      0.213210     -4.082491
  C      -1.826926     -0.741047     -3.305920
  N      -2.076382     -0.979371     -2.025032
  C      -3.061808     -0.250765     -1.448121
  C      -6.313633      0.649284      6.638061
  C      -6.029376     -0.815043      7.019116
  C      -7.077038     -1.766367      6.482191
  O      -6.804604     -1.926755      5.059385
  C      -7.821184     -2.119884      4.211654
  N      -9.075612     -2.053628      4.612872
  C     -10.043274     -2.245754      3.678762
  N      -9.885494     -2.527070      2.401454
  C      -8.588144     -2.612577      1.974247
  C      -8.307044     -2.915238      0.620573
  C      -6.992037     -2.999286      0.217803
  C      -5.967732     -2.779998      1.166793
  N      -6.185088     -2.486827      2.441071
  C      -7.478192     -2.403515      2.841989
  H      -3.423170      4.997030      3.052393
  H      -4.435609      3.574314      2.768233
  H      -5.191801      5.825849      4.723247
  H      -5.712791      5.742134      3.038401
  H      -7.426881      4.843253      4.692232
  H      -6.297782      3.532557      5.103688
  H     -10.124684      1.548692      5.488921
  H     -11.165473      0.049705      1.225742
  H     -10.042467      0.390125     -1.012504
  H      -7.951363      1.749213     -1.122497
  H      -1.843756     -1.510050      4.782368
  H      -3.545183     -1.164771      4.464237
  H      -1.149267     -0.557988      2.669196
  H      -2.593341      0.466286      2.587401
  H      -4.027658     -1.585669      2.206109
  H      -2.551975     -2.586992      2.194541
  H      -5.776223      1.769126      0.287228
  H      -4.097255      1.708134     -4.044072
  H      -2.261479      0.351208     -5.131680
  H      -1.026051     -1.330970     -3.762658
  H      -6.713477      0.694671      5.617314
  H      -7.093268      1.057846      7.307152
  H      -5.045219     -1.110470      6.619631
  H      -5.981176     -0.930911      8.112587
  H      -8.101635     -1.399923      6.626967
  H      -6.991788     -2.765152      6.934973
  H     -11.069275     -2.152381      4.045690
  H      -9.141547     -3.075913     -0.063283
  H      -6.729380     -3.235071     -0.814319
  H      -4.921709     -2.857289      0.856251
  N      -4.926289      1.131415      3.788125
  N      -5.602980      0.634235      2.927516
  H      -5.079560      0.388350      1.978009
98
Coordinates from ORCA-job orca E -6532.382737436052
  N      -3.529723      3.663969      4.663163
  Mo     -3.859207      1.795219      5.189199
  N      -5.094061      1.449809      6.679138
  C      -4.631957      1.713289      8.041401
  C      -3.575288      2.804974      8.017684
  N      -2.608072      2.538628      6.916577
  C      -1.918271      3.777501      6.464668
  C      -2.860612      4.578171      5.586709
  C      -1.630025      1.471454      7.266313
  C      -1.171423      0.788047      5.985305
  N      -2.353566      0.532175      5.166875
  H      -2.284349      5.333181      5.023160
  H      -3.593070      5.136413      6.199321
  H      -1.047673      3.466890      5.871262
  H      -1.558401      4.358438      7.330048
  H      -0.665051     -0.157869      6.238038
  H      -0.433519      1.409547      5.444770
  H      -2.150416      0.737120      7.895278
  H      -0.790539      1.894265      7.843030
  H      -5.476766      2.043399      8.672337
  H      -4.233884      0.792132      8.508914
  H      -4.055384      3.769512      7.803102
  H      -3.048629      2.889024      8.982823
  C      -4.201591      4.334441      3.543095
  C      -5.462131      5.119908      3.932408
  C      -6.618115      4.239243      4.357904
  O      -7.038811      3.499482      3.181114
  C      -8.094412      2.691067      3.309531
  N      -8.681057      2.530337      4.481094
  C      -9.783902      1.732066      4.514556
  N     -10.365258      1.113931      3.509187
  C      -9.756738      1.265183      2.290653
  C     -10.302914      0.650260      1.139537
  C      -9.649522      0.802208     -0.064553
  C      -8.455587      1.557043     -0.112634
  N      -7.920360      2.164224      0.938980
  C      -8.568904      2.030937      2.121881
  C      -2.386573     -0.698955      4.378893
  C      -2.081535     -0.473754      2.886548
  C      -2.759929     -1.542944      2.044860
  O      -2.517256     -1.344997      0.626190
  C      -3.230741     -0.450779     -0.044693
  N      -4.192164      0.272323      0.519177
  C      -4.867719      1.170474     -0.262131
  N      -4.686864      1.401490     -1.539466
  C      -3.705920      0.660546     -2.148896
  C      -3.434402      0.833291     -3.526151
  C      -2.437052      0.076219     -4.102148
  C      -1.719088     -0.845853     -3.303658
  N      -1.943478     -1.038357     -2.011087
  C      -2.923531     -0.295346     -1.444307
  C      -6.266673      0.581596      6.603450
  C      -5.955536     -0.889590      6.931719
  C      -7.010040     -1.832287      6.389737
  O      -6.805722     -1.939179      4.949540
  C      -7.876324     -2.116936      4.167049
  N      -9.095585     -2.079017      4.667456
  C     -10.133424     -2.255129      3.809605
  N     -10.076343     -2.500118      2.516897
  C      -8.817036     -2.556785      1.984367
  C      -8.647028     -2.821723      0.604777
  C      -7.370118     -2.878416      0.091725
  C      -6.273108     -2.667692      0.957203
  N      -6.385473     -2.408551      2.253132
  C      -7.641343     -2.354856      2.764267
  H      -3.474698      5.022815      3.074682
  H      -4.463366      3.584132      2.785155
  H      -5.239856      5.820480      4.751779
  H      -5.773751      5.732179      3.071870
  H      -7.468616      4.827013      4.731115
  H      -6.331095      3.524568      5.146790
  H     -10.236051      1.605691      5.503280
  H     -11.214964      0.061649      1.240867
  H     -10.034377      0.343800     -0.976337
  H      -7.914245      1.661516     -1.058049
  H      -1.684203     -1.431199      4.810635
  H      -3.391861     -1.144932      4.468738
  H      -0.998036     -0.468462      2.698237
  H      -2.470724      0.514499      2.601936
  H      -3.842967     -1.577334      2.236741
  H      -2.342699     -2.539287      2.239366
  H      -5.641885      1.745387      0.259199
  H      -4.019558      1.560522     -4.090781
  H      -2.192590      0.177017     -5.160453
  H      -0.925183     -1.449935     -3.752169
  H      -6.676644      0.647449      5.587883
  H      -7.047910      0.957844      7.289649
  H      -4.977406     -1.158222      6.499510
  H      -5.881071     -1.042264      8.019121
  H      -8.031147     -1.480652      6.586675
  H      -6.902283     -2.845878      6.803186
  H     -11.126880     -2.183833      4.260482
  H      -9.534148     -2.976908     -0.010989
  H      -7.192206     -3.085636     -0.964298
  H      -5.256380     -2.722700      0.556298
  N      -4.839299      1.096811      3.773823
  N      -5.482374      0.575282      2.901898
  H      -4.931410      0.342719      1.966100
98
Coordinates from ORCA-job orca E -6532.382613004908
  N      -3.517606      3.659377      4.652595
  Mo     -3.864221      1.795632      5.182429
  N      -5.105309      1.465782      6.670226
  C      -4.642199      1.729132      8.032497
  C      -3.573705      2.809752      8.007309
  N      -2.608057      2.530394      6.907842
  C      -1.905218      3.761124      6.452619
  C      -2.839189      4.569917      5.572452
  C      -1.641234      1.453904      7.261269
  C      -1.187967      0.761956      5.982261
  N      -2.371738      0.517830      5.162629
  H      -2.255047      5.317036      5.006606
  H      -3.565954      5.137549      6.183267
  H      -1.037908      3.439800      5.860030
  H      -1.539388      4.340269      7.316663
  H      -0.693323     -0.189331      6.237991
  H      -0.441868      1.373590      5.441742
  H      -2.169771      0.726216      7.891155
  H      -0.797841      1.869250      7.837657
  H      -5.484277      2.070464      8.661098
  H      -4.254425      0.805572      8.503750
  H      -4.043981      3.778438      7.789416
  H      -3.047143      2.891130      8.972706
  C      -4.183697      4.328305      3.527239
  C      -5.439124      5.125839      3.908868
  C      -6.601306      4.254372      4.335468
  O      -7.029387      3.510118      3.163510
  C      -8.074576      2.691366      3.312626
  N      -8.632645      2.527905      4.498026
  C      -9.721643      1.713156      4.561281
  N     -10.312979      1.076159      3.573831
  C      -9.734387      1.229264      2.340887
  C     -10.294001      0.592205      1.208508
  C      -9.674011      0.748556     -0.012216
  C      -8.499804      1.530228     -0.095394
  N      -7.950116      2.155395      0.938711
  C      -8.565627      2.017008      2.138744
  C      -2.419432     -0.710815      4.370845
  C      -2.116307     -0.486003      2.877408
  C      -2.814138     -1.541025      2.032162
  O      -2.562539     -1.345299      0.614394
  C      -3.259669     -0.441865     -0.062553
  N      -4.231119      0.278575      0.487130
  C      -4.884338      1.188744     -0.299244
  N      -4.674146      1.432148     -1.569701
  C      -3.683635      0.693007     -2.165172
  C      -3.380142      0.880338     -3.533722
  C      -2.372590      0.125888     -4.094947
  C      -1.676806     -0.808453     -3.290580
  N      -1.931591     -1.015113     -2.005903
  C      -2.921612     -0.274450     -1.453552
  C      -6.285576      0.607910      6.596925
  C      -5.990361     -0.863130      6.941041
  C      -7.050582     -1.799793      6.399499
  O      -6.830985     -1.919230      4.963437
  C      -7.891884     -2.121617      4.174876
  N      -9.114479     -2.109318      4.667744
  C     -10.142591     -2.304828      3.801912
  N     -10.071677     -2.540672      2.508005
  C      -8.807702     -2.572755      1.984195
  C      -8.622417     -2.826261      0.604456
  C      -7.340379     -2.861902      0.101648
  C      -6.253408     -2.643034      0.978079
  N      -6.380663     -2.393240      2.274367
  C      -7.641822     -2.357023      2.774409
  H      -3.451597      5.008082      3.054402
  H      -4.449883      3.574192      2.774668
  H      -5.213766      5.826294      4.727673
  H      -5.742891      5.738813      3.045924
  H      -7.448275      4.847761      4.707834
  H      -6.316759      3.541677      5.127273
  H     -10.149388      1.584812      5.561609
  H     -11.189731     -0.015878      1.336737
  H     -10.071605      0.275615     -0.911067
  H      -7.988873      1.643183     -1.056439
  H      -1.724010     -1.452050      4.798729
  H      -3.429383     -1.146323      4.461618
  H      -1.033504     -0.497530      2.685054
  H      -2.490485      0.509290      2.597242
  H      -3.898387     -1.556087      2.221081
  H      -2.416067     -2.545298      2.225697
  H      -5.668271      1.761423      0.209693
  H      -3.949491      1.616757     -4.103066
  H      -2.102930      0.238343     -5.145970
  H      -0.874801     -1.410198     -3.727721
  H      -6.690300      0.667201      5.578811
  H      -7.066543      0.998051      7.275808
  H      -5.012670     -1.144807      6.515896
  H      -5.923545     -1.006710      8.030126
  H      -8.069748     -1.434139      6.582052
  H      -6.960182     -2.810274      6.824731
  H     -11.140696     -2.260648      4.246931
  H      -9.502202     -2.990938     -0.019487
  H      -7.150775     -3.060803     -0.953977
  H      -5.232258     -2.683431      0.585863
  N      -4.843318      1.107832      3.762052
  N      -5.484352      0.594741      2.884538
  H      -4.909127      0.310029      1.980095
98
Coordinates from ORCA-job orca E -6532.382958370295
  N      -3.507461      3.668211      4.657116
  Mo     -3.873581      1.806915      5.182320
  N      -5.115594      1.482568      6.671185
  C      -4.649557      1.739171      8.033589
  C      -3.572574      2.811003      8.010248
  N      -2.609962      2.526672      6.909530
  C      -1.897202      3.752936      6.458184
  C      -2.822956      4.571641      5.578766
  C      -1.652151      1.440933      7.258608
  C      -1.206623      0.747217      5.977656
  N      -2.393187      0.514227      5.158891
  H      -2.231256      5.313711      5.014210
  H      -3.545489      5.145081      6.189162
  H      -1.031918      3.425979      5.865861
  H      -1.527603      4.327097      7.323990
  H      -0.719778     -0.208623      6.231579
  H      -0.456051      1.353259      5.436862
  H      -2.186624      0.716818      7.887586
  H      -0.805022      1.847852      7.835416
  H      -5.488596      2.085717      8.663383
  H      -4.269149      0.811419      8.502390
  H      -4.034819      3.784072      7.795170
  H      -3.045167      2.885349      8.975691
  C      -4.161652      4.341605      3.528160
  C      -5.416274      5.144228      3.900555
  C      -6.582303      4.274209      4.317140
  O      -7.003022      3.530511      3.142068
  C      -8.033208      2.693438      3.294762
  N      -8.578849      2.517563      4.483832
  C      -9.646297      1.677099      4.556527
  N     -10.228631      1.023691      3.574315
  C      -9.665090      1.191405      2.336639
  C     -10.216528      0.536684      1.210266
  C      -9.613698      0.710398     -0.016406
  C      -8.464170      1.526977     -0.112066
  N      -7.921328      2.166836      0.916581
  C      -8.519760      2.010608      2.123750
  C      -2.451755     -0.715555      4.368452
  C      -2.148177     -0.498300      2.874158
  C      -2.852188     -1.551564      2.031729
  O      -2.603583     -1.352698      0.613178
  C      -3.288291     -0.432514     -0.053330
  N      -4.249044      0.294356      0.506738
  C      -4.893955      1.220350     -0.268104
  N      -4.687516      1.470639     -1.538197
  C      -3.709723      0.722993     -2.144669
  C      -3.413007      0.914668     -3.514238
  C      -2.419511      0.150465     -4.087308
  C      -1.730252     -0.797277     -3.293616
  N      -1.978924     -1.008359     -2.008473
  C      -2.955271     -0.258434     -1.444624
  C      -6.300384      0.631238      6.596656
  C      -6.015450     -0.840700      6.946610
  C      -7.077650     -1.773214      6.400414
  O      -6.846614     -1.901076      4.966360
  C      -7.900053     -2.121303      4.172599
  N      -9.124903     -2.130801      4.660568
  C     -10.145370     -2.348748      3.791105
  N     -10.064533     -2.586148      2.498232
  C      -8.797843     -2.600611      1.980416
  C      -8.602662     -2.860340      0.603234
  C      -7.317757     -2.887453      0.107928
  C      -6.237861     -2.653792      0.988949
  N      -6.374395     -2.394253      2.282510
  C      -7.638726     -2.364697      2.775154
  H      -3.423227      5.017797      3.060396
  H      -4.426510      3.589052      2.773921
  H      -5.196576      5.842287      4.723006
  H      -5.709990      5.760032      3.036056
  H      -7.430779      4.866523      4.687473
  H      -6.301449      3.559638      5.108581
  H     -10.063763      1.541982      5.558976
  H     -11.092464     -0.097585      1.348040
  H     -10.006288      0.225653     -0.911198
  H      -7.968892      1.656463     -1.079582
  H      -1.761134     -1.460214      4.797632
  H      -3.464449     -1.143675      4.462304
  H      -1.065392     -0.517211      2.682235
  H      -2.515387      0.498417      2.590650
  H      -3.935528     -1.563807      2.225158
  H      -2.456739     -2.557270      2.222948
  H      -5.670767      1.795787      0.248993
  H      -3.976911      1.660731     -4.075661
  H      -2.156753      0.264699     -5.139692
  H      -0.940016     -1.407410     -3.740414
  H      -6.699703      0.689357      5.576527
  H      -7.082060      1.028482      7.270684
  H      -5.036853     -1.128671      6.528724
  H      -5.956689     -0.982057      8.036485
  H      -8.095693     -1.399695      6.572343
  H      -6.998558     -2.781846      6.831964
  H     -11.145859     -2.326859      4.231901
  H      -9.477108     -3.040321     -0.023689
  H      -7.120178     -3.093163     -0.944929
  H      -5.214771     -2.692145      0.603407
  N      -4.865435      1.140585      3.761288
  N      -5.516990      0.643407      2.882609
  H      -4.957635      0.404111      1.954781
98
Coordinates from ORCA-job orca E -6532.382928203764
  N      -3.528468      3.631487      4.630777
  Mo     -3.875840      1.773080      5.180919
  N      -5.104514      1.453671      6.681868
  C      -4.634072      1.728794      8.038617
  C      -3.568874      2.811696      7.996604
  N      -2.609571      2.525222      6.893590
  C      -1.910876      3.752908      6.425237
  C      -2.848175      4.551494      5.539807
  C      -1.639094      1.453334      7.249990
  C      -1.193272      0.751420      5.974205
  N      -2.381618      0.496428      5.165003
  H      -2.266050      5.292864      4.964406
  H      -3.573532      5.125216      6.146485
  H      -1.044379      3.427748      5.833732
  H      -1.544136      4.340832      7.283028
  H      -0.693460     -0.195956      6.234858
  H      -0.453119      1.360741      5.422780
  H      -2.162573      0.730718      7.889862
  H      -0.792918      1.875288      7.817511
  H      -5.473024      2.073771      8.669571
  H      -4.241464      0.809960      8.514808
  H      -4.042713      3.777262      7.772903
  H      -3.036959      2.902978      8.958228
  C      -4.189896      4.291698      3.498141
  C      -5.434363      5.110899      3.870475
  C      -6.607529      4.262946      4.312516
  O      -7.040361      3.507787      3.149664
  C      -8.092638      2.697850      3.299054
  N      -8.674892      2.559756      4.475842
  C      -9.767051      1.748928      4.533254
  N     -10.341217      1.094497      3.546468
  C      -9.739230      1.224627      2.322399
  C     -10.274359      0.563904      1.191472
  C      -9.628654      0.697003     -0.019152
  C      -8.454819      1.480752     -0.093983
  N      -7.928573      2.126990      0.938430
  C      -8.567075      2.008919      2.128406
  C      -2.424702     -0.737000      4.380754
  C      -2.120226     -0.515668      2.887932
  C      -2.809959     -1.574810      2.042560
  O      -2.567362     -1.364521      0.624945
  C      -3.261192     -0.443082     -0.030370
  N      -4.218858      0.278373      0.542640
  C      -4.881654      1.199101     -0.223377
  N      -4.690005      1.454112     -1.494416
  C      -3.711140      0.717417     -2.112843
  C      -3.429970      0.915536     -3.484553
  C      -2.437136      0.159994     -4.070386
  C      -1.732935     -0.785635     -3.287131
  N      -1.966503     -1.002377     -2.000270
  C      -2.942524     -0.261125     -1.424002
  C      -6.284656      0.596069      6.618785
  C      -5.988235     -0.874238      6.964109
  C      -7.044751     -1.809909      6.414141
  O      -6.817530     -1.919084      4.977582
  C      -7.872378     -2.107859      4.177608
  N      -9.099495     -2.098975      4.659588
  C     -10.120156     -2.274729      3.781117
  N     -10.038360     -2.486765      2.483896
  C      -8.769749     -2.517271      1.971386
  C      -8.573215     -2.749977      0.589625
  C      -7.286788     -2.791167      0.099210
  C      -6.206849     -2.596755      0.989647
  N      -6.344386     -2.362634      2.287791
  C      -7.610139     -2.322290      2.775929
  H      -3.450589      4.957380      3.016123
  H      -4.465819      3.531872      2.754803
  H      -5.198929      5.821745      4.677476
  H      -5.730602      5.713990      2.998137
  H      -7.447086      4.873075      4.674593
  H      -6.332754      3.559258      5.115974
  H     -10.217800      1.646045      5.524852
  H     -11.170349     -0.045048      1.313748
  H     -10.004595      0.203060     -0.915993
  H      -7.922116      1.574262     -1.045697
  H      -1.725605     -1.472156      4.812893
  H      -3.432441     -1.176789      4.473046
  H      -1.037163     -0.520693      2.697152
  H      -2.499294      0.477244      2.605688
  H      -3.892715     -1.603165      2.237408
  H      -2.400131     -2.575756      2.228168
  H      -5.659183      1.765852      0.302679
  H      -4.005208      1.659142     -4.037564
  H      -2.186066      0.279519     -5.125032
  H      -0.942869     -1.388626     -3.744119
  H      -6.691765      0.652653      5.601651
  H      -7.063793      0.988341      7.298598
  H      -5.008563     -1.154422      6.543117
  H      -5.926964     -1.019317      8.053322
  H      -8.064803     -1.447437      6.595359
  H      -6.953895     -2.822677      6.833344
  H     -11.121941     -2.236206      4.217421
  H      -9.448171     -2.897572     -0.045119
  H      -7.088258     -2.976581     -0.957218
  H      -5.182832     -2.646280      0.607858
  N      -4.867854      1.070264      3.777034
  N      -5.520177      0.548437      2.911805
  H      -4.978532      0.322769      1.966692
98
Coordinates from ORCA-job orca E -6532.383052691926
  N      -3.526772      3.652165      4.649657
  Mo     -3.879305      1.790619      5.186633
  N      -5.109705      1.461194      6.684139
  C      -4.640935      1.727991      8.043056
  C      -3.574285      2.809780      8.009171
  N      -2.613567      2.529032      6.905877
  C      -1.912370      3.758819      6.447452
  C      -2.847697      4.564805      5.566891
  C      -1.645383      1.452925      7.255517
  C      -1.199757      0.758813      5.975385
  N      -2.387946      0.511148      5.163795
  H      -2.264131      5.310204      4.998220
  H      -3.573476      5.134383      6.176863
  H      -1.045593      3.436785      5.854655
  H      -1.545978      4.339982      7.309964
  H      -0.701784     -0.191058      6.230471
  H      -0.458017      1.370003      5.428146
  H      -2.170893      0.727212      7.890132
  H      -0.798887      1.869225      7.826652
  H      -5.480427      2.069600      8.675024
  H      -4.249770      0.805914      8.514260
  H      -4.046429      3.777369      7.790775
  H      -3.043718      2.894516      8.972114
  C      -4.186374      4.322737      3.522368
  C      -5.435265      5.131240      3.902404
  C      -6.602670      4.270863      4.336699
  O      -7.031905      3.525842      3.165897
  C      -8.073769      2.701712      3.309249
  N      -8.644139      2.535355      4.488168
  C      -9.725521      1.709973      4.540023
  N     -10.300692      1.067416      3.546033
  C      -9.711922      1.228290      2.319144
  C     -10.251839      0.585550      1.180118
  C      -9.619503      0.749926     -0.033572
  C      -8.453678      1.545957     -0.103515
  N      -7.923787      2.176592      0.936716
  C      -8.549840      2.028348      2.130037
  C      -2.434410     -0.720468      4.376651
  C      -2.132667     -0.498748      2.883099
  C      -2.822055     -1.560600      2.040750
  O      -2.581472     -1.357068      0.621299
  C      -3.285061     -0.450600     -0.044402
  N      -4.254838      0.263489      0.517238
  C      -4.924222      1.170349     -0.259556
  N      -4.728302      1.418179     -1.531313
  C      -3.738144      0.687505     -2.138684
  C      -3.452413      0.877101     -3.510549
  C      -2.448897      0.127182     -4.085278
  C      -1.738181     -0.803889     -3.290725
  N      -1.974959     -1.011450     -2.003072
  C      -2.961856     -0.276248     -1.437857
  C      -6.286834      0.599681      6.614803
  C      -5.986804     -0.870506      6.958209
  C      -7.037719     -1.810212      6.403468
  O      -6.803476     -1.928810      4.968477
  C      -7.858015     -2.107605      4.165545
  N      -9.086354     -2.069176      4.642895
  C     -10.107520     -2.239026      3.764113
  N     -10.025780     -2.472573      2.470719
  C      -8.756435     -2.534966      1.963063
  C      -8.560975     -2.794877      0.586047
  C      -7.274427     -2.869707      0.100045
  C      -6.193384     -2.681288      0.990003
  N      -6.329425     -2.421438      2.283632
  C      -7.595369     -2.348021      2.767828
  H      -3.448219      4.996533      3.050081
  H      -4.457524      3.570541      2.769598
  H      -5.203600      5.835613      4.716224
  H      -5.735966      5.740651      3.035897
  H      -7.445925      4.871502      4.705954
  H      -6.322565      3.560061      5.132145
  H     -10.165722      1.582640      5.533593
  H     -11.140828     -0.034274      1.298282
  H      -9.999694      0.270770     -0.936667
  H      -7.931676      1.664350     -1.058306
  H      -1.735774     -1.457299      4.806560
  H      -3.442446     -1.159052      4.470569
  H      -1.049867     -0.502895      2.690683
  H      -2.513721      0.493238      2.600477
  H      -3.904226     -1.590652      2.237771
  H      -2.409791     -2.560039      2.229322
  H      -5.710936      1.731584      0.258499
  H      -4.032933      1.609669     -4.072636
  H      -2.194285      0.240167     -5.139691
  H      -0.939815     -1.402606     -3.738652
  H      -6.691503      0.657507      5.596678
  H      -7.068779      0.988146      7.293498
  H      -5.003944     -1.146582      6.542158
  H      -5.930205     -1.016642      8.047538
  H      -8.059465     -1.448964      6.576936
  H      -6.947572     -2.820882      6.827751
  H     -11.109905     -2.172318      4.195899
  H      -9.436892     -2.936238     -0.048642
  H      -7.076886     -3.077181     -0.952504
  H      -5.169680     -2.757221      0.611656
  N      -4.871025      1.099102      3.777112
  N      -5.521586      0.584831      2.906685
  H      -4.968394      0.342924      1.972330
98
Coordinates from ORCA-job orca E -6532.383019176311
  N      -3.516878      3.659411      4.644367
  Mo     -3.881971      1.799630      5.177726
  N      -5.119235      1.474027      6.670883
  C      -4.652471      1.738113      8.031283
  C      -3.580225      2.814416      8.001906
  N      -2.617364      2.529182      6.901794
  C      -1.907848      3.755771      6.446801
  C      -2.835533      4.568122      5.563742
  C      -1.656829      1.446604      7.253380
  C      -1.211444      0.750081      5.974359
  N      -2.398560      0.510897      5.158196
  H      -2.245716      5.310051      4.996871
  H      -3.559918      5.141729      6.171692
  H      -1.040986      3.429472      5.856486
  H      -1.540890      4.334157      7.310940
  H      -0.720970     -0.203174      6.230877
  H      -0.463590      1.356390      5.430047
  H      -2.189053      0.723649      7.885584
  H      -0.809996      1.857196      7.828045
  H      -5.492144      2.083289      8.661032
  H      -4.267408      0.813741      8.503235
  H      -4.046492      3.784740      7.782750
  H      -3.052456      2.895430      8.966701
  C      -4.168940      4.329377      3.512487
  C      -5.422388      5.134542      3.882947
  C      -6.587199      4.268667      4.312959
  O      -7.013742      3.517605      3.144967
  C      -8.045917      2.684230      3.303449
  N      -8.595590      2.518164      4.492000
  C      -9.667387      1.683049      4.566232
  N     -10.250196      1.026988      3.585659
  C      -9.683563      1.186600      2.348270
  C     -10.237724      0.533065      1.222172
  C      -9.630970      0.699735     -0.003626
  C      -8.475570      1.508260     -0.098807
  N      -7.931268      2.147231      0.929123
  C      -8.533022      1.997834      2.135263
  C      -2.453166     -0.720854      4.371065
  C      -2.148318     -0.505748      2.877056
  C      -2.856283     -1.557908      2.037282
  O      -2.611850     -1.361946      0.617569
  C      -3.288743     -0.435348     -0.047377
  N      -4.235446      0.307963      0.515367
  C      -4.867611      1.243886     -0.258250
  N      -4.657369      1.494068     -1.527657
  C      -3.692827      0.731519     -2.136289
  C      -3.393036      0.921914     -3.505393
  C      -2.411558      0.143769     -4.080395
  C      -1.736557     -0.815857     -3.288796
  N      -1.988406     -1.025783     -2.003995
  C      -2.953831     -0.263050     -1.438549
  C      -6.297708      0.613396      6.600801
  C      -6.000648     -0.856018      6.951983
  C      -7.053965     -1.797366      6.403820
  O      -6.824012     -1.921324      4.968938
  C      -7.880311     -2.122525      4.173442
  N      -9.105636     -2.113483      4.660074
  C     -10.129455     -2.302906      3.788221
  N     -10.052225     -2.527902      2.492857
  C      -8.785640     -2.560556      1.975672
  C      -8.594852     -2.806325      0.595260
  C      -7.310469     -2.850427      0.099670
  C      -6.227067     -2.646151      0.983445
  N      -6.359321     -2.398535      2.279854
  C      -7.622747     -2.354782      2.773412
  H      -3.429320      5.003366      3.043317
  H      -4.434454      3.575329      2.759897
  H      -5.199056      5.840784      4.697279
  H      -5.720116      5.741666      3.013808
  H      -7.433392      4.865337      4.681610
  H      -6.304642      3.560050      5.108951
  H     -10.086998      1.553379      5.568917
  H     -11.117959     -0.095101      1.359499
  H     -10.024209      0.214421     -0.897841
  H      -7.975826      1.631407     -1.064763
  H      -1.762072     -1.463200      4.803547
  H      -3.465426     -1.150091      4.464412
  H      -1.065570     -0.527602      2.684990
  H      -2.513131      0.491663      2.592539
  H      -3.938983     -1.568553      2.234570
  H      -2.461480     -2.564017      2.227681
  H      -5.627927      1.836733      0.263327
  H      -3.944486      1.678767     -4.065102
  H      -2.146799      0.256595     -5.132590
  H      -0.954708     -1.435936     -3.736518
  H      -6.699742      0.666967      5.581507
  H      -7.080753      1.006127      7.275775
  H      -5.018421     -1.135432      6.536507
  H      -5.943354     -0.997260      8.041910
  H      -8.075324     -1.433657      6.577304
  H      -6.964655     -2.806369      6.832504
  H     -11.129809     -2.263533      4.227936
  H      -9.472238     -2.961370     -0.034268
  H      -7.116207     -3.045463     -0.955789
  H      -5.204189     -2.697349      0.597426
  N      -4.871761      1.122343      3.760435
  N      -5.520115      0.619761      2.881939
  H      -4.955446      0.374664      1.956274
98
Coordinates from ORCA-job orca E -6532.383099923389
  N      -3.520187      3.648850      4.641618
  Mo     -3.878567      1.789426      5.181184
  N      -5.113751      1.465842      6.676084
  C      -4.646903      1.733411      8.035615
  C      -3.577732      2.812758      8.002702
  N      -2.615187      2.527862      6.902128
  C      -1.909841      3.755260      6.442960
  C      -2.840869      4.562017      5.558195
  C      -1.650703      1.449775      7.256313
  C      -1.203647      0.751959      5.978724
  N      -2.390345      0.506352      5.164062
  H      -2.253925      5.304581      4.989225
  H      -3.566622      5.134842      6.165207
  H      -1.042403      3.429910      5.852915
  H      -1.544093      4.337225      7.305198
  H      -0.709267     -0.198885      6.236941
  H      -0.458473      1.359856      5.432517
  H      -2.179743      0.726503      7.890806
  H      -0.804628      1.864850      7.828930
  H      -5.486891      2.077889      8.665348
  H      -4.258945      0.811078      8.509106
  H      -4.047314      3.781036      7.781684
  H      -3.049105      2.897843      8.966671
  C      -4.174514      4.315774      3.508979
  C      -5.422623      5.129199      3.880356
  C      -6.592468      4.273145      4.316552
  O      -7.023793      3.520703      3.151259
  C      -8.064065      2.697277      3.307976
  N      -8.624710      2.542288      4.492976
  C      -9.705160      1.717363      4.561987
  N     -10.286878      1.063172      3.579561
  C      -9.707563      1.210570      2.346426
  C     -10.256098      0.554529      1.219120
  C      -9.634398      0.706481     -0.001424
  C      -8.470480      1.503411     -0.089880
  N      -7.931815      2.145306      0.939143
  C      -8.547652      2.009609      2.139456
  C      -2.437564     -0.724890      4.376222
  C      -2.131626     -0.504354      2.883239
  C      -2.826340     -1.562298      2.040048
  O      -2.584569     -1.359084      0.620941
  C      -3.279153     -0.443783     -0.041602
  N      -4.242219      0.277063      0.522595
  C      -4.899512      1.196299     -0.249977
  N      -4.699245      1.448959     -1.520231
  C      -3.717189      0.710212     -2.130572
  C      -3.426617      0.905381     -3.500826
  C      -2.429706      0.148757     -4.078082
  C      -1.730616     -0.794678     -3.287751
  N      -1.972690     -1.008142     -2.001844
  C      -2.952741     -0.265965     -1.433975
  C      -6.293591      0.607497      6.606703
  C      -5.998813     -0.863414      6.952804
  C      -7.053423     -1.800107      6.399532
  O      -6.820386     -1.918919      4.964609
  C      -7.874431     -2.111564      4.163834
  N      -9.102135     -2.095488      4.644156
  C     -10.122665     -2.276895      3.766744
  N     -10.040302     -2.502040      2.471788
  C      -8.771234     -2.542999      1.961299
  C      -8.574701     -2.791212      0.582217
  C      -7.288029     -2.843998      0.093367
  C      -6.208094     -2.645674      0.982684
  N      -6.345598     -2.396211      2.278138
  C      -7.611397     -2.344041      2.764991
  H      -3.433508      4.984753      3.034579
  H      -4.445428      3.559701      2.760154
  H      -5.192063      5.837190      4.691240
  H      -5.719294      5.734743      3.009783
  H      -7.434831      4.877418      4.681849
  H      -6.314464      3.566573      5.116147
  H     -10.135949      1.597991      5.561067
  H     -11.143034     -0.065306      1.351528
  H     -10.022135      0.217690     -0.896130
  H      -7.958207      1.613775     -1.050840
  H      -1.742071     -1.463645      4.807921
  H      -3.447141     -1.160787      4.467468
  H      -1.048541     -0.514546      2.692502
  H      -2.506620      0.489751      2.600114
  H      -3.908844     -1.586750      2.236789
  H      -2.419505     -2.564126      2.227767
  H      -5.678782      1.765046      0.270666
  H      -3.997804      1.648054     -4.059516
  H      -2.171389      0.265903     -5.131294
  H      -0.937493     -1.398740     -3.737717
  H      -6.697524      0.664570      5.588289
  H      -7.074812      0.999716      7.284104
  H      -5.017086     -1.143203      6.536424
  H      -5.942205     -1.008424      8.042237
  H      -8.073976     -1.434781      6.572926
  H      -6.967344     -2.810936      6.824494
  H     -11.124941     -2.230701      4.201323
  H      -9.449703     -2.941052     -0.051869
  H      -7.089496     -3.041436     -0.960879
  H      -5.183759     -2.704039      0.602139
  N      -4.868501      1.101702      3.768666
  N      -5.517694      0.591711      2.894797
  H      -4.958983      0.349133      1.963464
98
Coordinates from ORCA-job orca E -6532.383090604691
  N      -3.526160      3.643721      4.638865
  Mo     -3.879687      1.784358      5.182796
  N      -5.108807      1.460594      6.682867
  C      -4.638073      1.731062      8.040327
  C      -3.571516      2.812653      8.002047
  N      -2.611870      2.528480      6.898726
  C      -1.911487      3.757139      6.436063
  C      -2.847585      4.559782      5.553136
  C      -1.643385      1.453294      7.250913
  C      -1.199773      0.754368      5.972759
  N      -2.389223      0.504149      5.163642
  H      -2.264619      5.303808      4.982026
  H      -3.573480      5.130809      6.161657
  H      -1.044795      3.433663      5.843918
  H      -1.545035      4.341286      7.296538
  H      -0.701333     -0.194540      6.230462
  H      -0.458792      1.363470      5.422143
  H      -2.168220      0.730131      7.888999
  H      -0.796047      1.871454      7.819436
  H      -5.476658      2.074326      8.672600
  H      -4.246313      0.810249      8.513629
  H      -4.043949      3.779551      7.781177
  H      -3.040006      2.900484      8.964197
  C      -4.183527      4.309330      3.507364
  C      -5.434161      5.117669      3.881487
  C      -6.600504      4.256370      4.316837
  O      -7.029983      3.508920      3.147538
  C      -8.067954      2.680928      3.295869
  N      -8.629411      2.510438      4.478282
  C      -9.706920      1.680574      4.536318
  N     -10.286561      1.037713      3.545169
  C      -9.707326      1.202865      2.314329
  C     -10.253635      0.560545      1.178003
  C      -9.631363      0.730382     -0.040060
  C      -8.469150      1.531102     -0.117146
  N      -7.933234      2.160790      0.920592
  C      -8.549463      2.007358      2.118553
  C      -2.436517     -0.728406      4.377898
  C      -2.133528     -0.508081      2.884371
  C      -2.829207     -1.565437      2.041309
  O      -2.588180     -1.360014      0.622313
  C      -3.282079     -0.442797     -0.038201
  N      -4.243177      0.279455      0.528071
  C      -4.900091      1.200801     -0.242509
  N      -4.700062      1.455280     -1.512351
  C      -3.719416      0.716021     -2.124659
  C      -3.429324      0.913100     -3.494646
  C      -2.433927      0.156000     -4.073980
  C      -1.735568     -0.789741     -3.285990
  N      -1.977305     -1.005127     -2.000374
  C      -2.956184     -0.262744     -1.430505
  C      -6.287799      0.601170      6.618680
  C      -5.990603     -0.868670      6.966676
  C      -7.045409     -1.806742      6.417185
  O      -6.814365     -1.926807      4.982132
  C      -7.870253     -2.103479      4.180345
  N      -9.098312     -2.067096      4.658427
  C     -10.119990     -2.232332      3.779415
  N     -10.038859     -2.460395      2.484826
  C      -8.769603     -2.521329      1.976599
  C      -8.574299     -2.773787      0.598136
  C      -7.287640     -2.846261      0.111718
  C      -6.206549     -2.662814      1.002680
  N      -6.342611     -2.410154      2.297617
  C      -7.608329     -2.339179      2.782098
  H      -3.444854      4.981470      3.033706
  H      -4.452514      3.553719      2.757337
  H      -5.205290      5.825149      4.693307
  H      -5.734196      5.723464      3.012266
  H      -7.444253      4.856700      4.685420
  H      -6.319499      3.547033      5.113038
  H     -10.138780      1.548918      5.532812
  H     -11.139195     -0.063030      1.301390
  H     -10.017267      0.252411     -0.941365
  H      -7.955631      1.654887     -1.075914
  H      -1.739666     -1.466061      4.809193
  H      -3.445506     -1.164944      4.471328
  H      -1.050782     -0.517965      2.691955
  H      -2.509101      0.486150      2.602342
  H      -3.911604     -1.590289      2.238778
  H      -2.421758     -2.567296      2.227578
  H      -5.678491      1.769397      0.279979
  H      -3.999612      1.657578     -4.051544
  H      -2.176093      0.274661     -5.127046
  H      -0.942987     -1.393646     -3.737440
  H      -6.695061      0.656838      5.601477
  H      -7.067090      0.993638      7.298108
  H      -5.009468     -1.148538      6.549183
  H      -5.931864     -1.011625      8.056296
  H      -8.065747     -1.442031      6.592345
  H      -6.957101     -2.817165      6.842520
  H     -11.122135     -2.167581      4.211672
  H      -9.450191     -2.911314     -0.037431
  H      -7.090141     -3.048021     -0.941920
  H      -5.182745     -2.736995      0.624363
  N      -4.872111      1.090537      3.774782
  N      -5.521997      0.577366      2.903256
  H      -4.967154      0.341299      1.966756
98
Coordinates from ORCA-job orca E -6532.383106199302
  N      -3.522908      3.648141      4.641515
  Mo     -3.881138      1.788810      5.182531
  N      -5.114702      1.463857      6.678704
  C      -4.647395      1.732367      8.037781
  C      -3.579787      2.813139      8.003825
  N      -2.617297      2.529124      6.902974
  C      -1.913454      3.757172      6.443658
  C      -2.845346      4.562291      5.558473
  C      -1.651552      1.451998      7.256603
  C      -1.204855      0.754329      5.978915
  N      -2.392038      0.506960      5.165570
  H      -2.259305      5.305686      4.989656
  H      -3.572071      5.134150      6.165226
  H      -1.045452      3.432814      5.853924
  H      -1.548685      4.339898      7.305803
  H      -0.708884     -0.195746      6.237005
  H      -0.461032      1.362956      5.431613
  H      -2.179490      0.728559      7.891806
  H      -0.805480      1.868006      7.828548
  H      -5.487463      2.075531      8.668134
  H      -4.257718      0.810662      8.511115
  H      -4.050690      3.780726      7.782606
  H      -3.050919      2.899390      8.967575
  C      -4.175921      4.315183      3.508417
  C      -5.424697      5.127573      3.879644
  C      -6.593153      4.270620      4.317793
  O      -7.024337      3.518260      3.152441
  C      -8.063651      2.693303      3.307473
  N      -8.625281      2.534634      4.491515
  C      -9.705145      1.708556      4.557040
  N     -10.286299      1.058021      3.571816
  C      -9.706368      1.209988      2.339535
  C     -10.253952      0.558190      1.209257
  C      -9.630698      0.714325     -0.010019
  C      -8.466247      1.511009     -0.094369
  N      -7.928981      2.149362      0.937443
  C      -8.546283      2.009518      2.136500
  C      -2.438152     -0.724664      4.378373
  C      -2.132701     -0.504052      2.885340
  C      -2.827537     -1.562182      2.042719
  O      -2.587286     -1.358852      0.623241
  C      -3.282549     -0.444273     -0.039339
  N      -4.244639      0.278177      0.524846
  C      -4.903207      1.196062     -0.248457
  N      -4.704121      1.446927     -1.519203
  C      -3.722721      0.707139     -2.129457
  C      -3.433900      0.899818     -3.500416
  C      -2.438010      0.141896     -4.077775
  C      -1.738079     -0.800285     -3.286814
  N      -1.978505     -1.011352     -2.000211
  C      -2.957673     -0.268071     -1.432310
  C      -6.292132      0.602259      6.610096
  C      -5.992281     -0.867969      6.954652
  C      -7.043437     -1.807986      6.400585
  O      -6.811145     -1.925058      4.965286
  C      -7.866442     -2.108867      4.164096
  N      -9.093993     -2.083891      4.644288
  C     -10.115851     -2.256759      3.766875
  N     -10.035164     -2.481809      2.471788
  C      -8.766477     -2.531277      1.961164
  C      -8.571964     -2.780183      0.581930
  C      -7.285819     -2.841743      0.092810
  C      -6.204417     -2.651183      0.981925
  N      -6.339841     -2.401122      2.277523
  C      -7.605104     -2.340823      2.764801
  H      -3.434592      4.984754      3.035326
  H      -4.445838      3.559617      2.758666
  H      -5.194389      5.837220      4.689148
  H      -5.723085      5.731202      3.008312
  H      -7.435672      4.874411      4.683527
  H      -6.314048      3.564264      5.117216
  H     -10.136711      1.585938      5.555204
  H     -11.141079     -0.062011      1.338380
  H     -10.017397      0.228510     -0.906794
  H      -7.952000      1.623978     -1.054002
  H      -1.742083     -1.462672      4.810389
  H      -3.447349     -1.161191      4.469953
  H      -1.049663     -0.513959      2.694424
  H      -2.508014      0.489998      2.602370
  H      -3.909743     -1.587400      2.240693
  H      -2.419700     -2.563703      2.229908
  H      -5.681744      1.765601      0.272699
  H      -4.005637      1.641529     -4.059702
  H      -2.181194      0.257003     -5.131543
  H      -0.945646     -1.405302     -3.736714
  H      -6.697391      0.659194      5.592189
  H      -7.073638      0.991642      7.288790
  H      -5.009430     -1.143889      6.538419
  H      -5.935382     -1.013889      8.043972
  H      -8.065267     -1.446868      6.575072
  H      -6.952772     -2.819029      6.823980
  H     -11.117755     -2.202023      4.201179
  H      -9.448035     -2.923669     -0.052096
  H      -7.088866     -3.040113     -0.961564
  H      -5.180672     -2.716529      0.601182
  N      -4.871265      1.098242      3.771343
  N      -5.519912      0.587345      2.897655
  H      -4.961280      0.346987      1.963880
98
Coordinates from ORCA-job orca E -6532.383106154069
  N      -3.521531      3.644941      4.638748
  Mo     -3.879010      1.786080      5.181363
  N      -5.113095      1.463601      6.677465
  C      -4.645341      1.732439      8.036390
  C      -3.577128      2.812652      8.001788
  N      -2.615044      2.527666      6.900812
  C      -1.911319      3.755368      6.440138
  C      -2.843635      4.559879      5.554712
  C      -1.649190      1.450868      7.255344
  C      -1.202741      0.751913      5.978189
  N      -2.390070      0.504101      5.165145
  H      -2.257875      5.302987      4.985223
  H      -3.570177      5.132043      6.161421
  H      -1.043639      3.430456      5.850211
  H      -1.546101      4.338729      7.301661
  H      -0.707052     -0.198107      6.237016
  H      -0.458747      1.359877      5.430408
  H      -2.176897      0.727932      7.891326
  H      -0.802885      1.867422      7.826565
  H      -5.485037      2.076538      8.666734
  H      -4.256107      0.810755      8.510145
  H      -4.047780      3.780293      7.780215
  H      -3.047909      2.899175      8.965317
  C      -4.174594      4.310274      3.504429
  C      -5.422395      5.125085      3.873784
  C      -6.592432      4.270404      4.312206
  O      -7.024535      3.516799      3.147873
  C      -8.064523      2.693123      3.304972
  N      -8.624865      2.537110      4.489960
  C      -9.705433      1.712082      4.558251
  N     -10.287759      1.059498      3.575137
  C      -9.708576      1.207859      2.342026
  C     -10.257244      0.553086      1.214020
  C      -9.635196      0.706056     -0.006318
  C      -8.470926      1.502565     -0.093868
  N      -7.932278      2.143242      0.935884
  C      -8.548391      2.006568      2.135915
  C      -2.436035     -0.727036      4.377178
  C      -2.130481     -0.505398      2.884207
  C      -2.825369     -1.562704      2.040383
  O      -2.584691     -1.357648      0.621324
  C      -3.280602     -0.442653     -0.040011
  N      -4.244821      0.276452      0.524745
  C      -4.903364      1.195874     -0.246734
  N      -4.702147      1.451225     -1.516206
  C      -3.718455      0.715074     -2.127126
  C      -3.426745      0.913560     -3.496639
  C      -2.428314      0.159431     -4.074550
  C      -1.728895     -0.784924     -3.285643
  N      -1.971976     -1.001401     -2.000412
  C      -2.953519     -0.261647     -1.431882
  C      -6.292823      0.605051      6.609881
  C      -5.997469     -0.865824      6.955888
  C      -7.052643     -1.802375      6.403774
  O      -6.819958     -1.922017      4.968949
  C      -7.874516     -2.109060      4.167621
  N      -9.102553     -2.084270      4.646551
  C     -10.123371     -2.258150      3.768042
  N     -10.041141     -2.484047      2.473141
  C      -8.771775     -2.534207      1.964138
  C      -8.575301     -2.784314      0.585396
  C      -7.288414     -2.846705      0.098201
  C      -6.208236     -2.655853      0.988831
  N      -6.345584     -2.404594      2.283917
  C      -7.611550     -2.343270      2.769150
  H      -3.432697      4.977833      3.029367
  H      -4.445565      3.553136      2.756653
  H      -5.191405      5.835158      4.682695
  H      -5.719251      5.728282      3.001675
  H      -7.434335      4.875983      4.676465
  H      -6.314802      3.564924      5.112853
  H     -10.135938      1.591552      5.557188
  H     -11.144163     -0.066916      1.345578
  H     -10.022990      0.218128     -0.901467
  H      -7.958078      1.613634     -1.054464
  H      -1.739916     -1.465360      4.808621
  H      -3.445221     -1.163797      4.468206
  H      -1.047487     -0.515282      2.693078
  H      -2.505743      0.488958      2.602192
  H      -3.907766     -1.588120      2.237777
  H      -2.417692     -2.564484      2.226531
  H      -5.683902      1.762373      0.274676
  H      -3.998240      1.656808     -4.054202
  H      -2.168970      0.279302     -5.127196
  H      -0.934444     -1.386957     -3.736076
  H      -6.698669      0.662257      5.592230
  H      -7.072850      0.997136      7.288711
  H      -5.016132     -1.145707      6.538679
  H      -5.939836     -1.010595      8.045296
  H      -8.072931     -1.436410      6.577424
  H      -6.966870     -2.813107      6.829027
  H     -11.125804     -2.204271      4.201294
  H      -9.450504     -2.928069     -0.049817
  H      -7.089988     -3.046155     -0.955683
  H      -5.183874     -2.722191      0.609813
  N      -4.869079      1.095745      3.769891
  N      -5.517626      0.585783      2.895706
  H      -4.958101      0.344918      1.962430
98
Coordinates from ORCA-job orca E -6532.383108790713
  N      -3.522622      3.646637      4.640941
  Mo     -3.879322      1.787393      5.183128
  N      -5.113215      1.463526      6.679142
  C      -4.645502      1.731837      8.038162
  C      -3.578178      2.812944      8.004057
  N      -2.615829      2.529250      6.902963
  C      -1.913053      3.757664      6.442877
  C      -2.845920      4.561705      5.557636
  C      -1.649187      1.453031      7.256977
  C      -1.202416      0.754758      5.979606
  N      -2.389699      0.506280      5.166735
  H      -2.260747      5.305738      4.988753
  H      -3.573142      5.132812      6.164525
  H      -1.045037      3.433703      5.852914
  H      -1.548415      4.341006      7.304660
  H      -0.705979     -0.194950      6.238184
  H      -0.458933      1.363316      5.431768
  H      -2.176355      0.729604      7.892840
  H      -0.803124      1.869975      7.828259
  H      -5.485402      2.074712      8.668884
  H      -4.255390      0.810180      8.511273
  H      -4.049580      3.780319      7.782959
  H      -3.049040      2.899454      8.967625
  C      -4.175743      4.312404      3.507028
  C      -5.424395      5.125487      3.877167
  C      -6.593314      4.269026      4.315171
  O      -7.025302      3.516860      3.149851
  C      -8.064205      2.691704      3.306105
  N      -8.623190      2.532069      4.491221
  C      -9.702844      1.705777      4.558408
  N     -10.285888      1.055759      3.574033
  C      -9.708269      1.208091      2.340681
  C     -10.257918      0.556430      1.211347
  C      -9.637079      0.713052     -0.009125
  C      -8.473000      1.509968     -0.095528
  N      -7.933718      2.148094      0.935462
  C      -8.548698      2.007886      2.135684
  C      -2.435099     -0.725281      4.379395
  C      -2.130132     -0.504617      2.886156
  C      -2.825386     -1.562830      2.043879
  O      -2.585806     -1.359453      0.624326
  C      -3.281814     -0.445184     -0.037703
  N      -4.244577      0.276042      0.526878
  C      -4.903843      1.194135     -0.245634
  N      -4.704891      1.445962     -1.516153
  C      -3.722952      0.707390     -2.127021
  C      -3.433939      0.901734     -3.497698
  C      -2.437581      0.144891     -4.075644
  C      -1.737473     -0.797955     -3.285599
  N      -1.977960     -1.010448     -1.999238
  C      -2.957422     -0.268025     -1.430682
  C      -6.291939      0.603653      6.610926
  C      -5.994436     -0.867428      6.954187
  C      -7.047745     -1.804737      6.399669
  O      -6.814556     -1.921695      4.964600
  C      -7.869130     -2.106213      4.162607
  N      -9.097176     -2.081629      4.641535
  C     -10.118107     -2.254202      3.762965
  N     -10.036028     -2.478936      2.467871
  C      -8.766722     -2.528990      1.958758
  C      -8.570569     -2.778050      0.579791
  C      -7.283808     -2.840119      0.092264
  C      -6.203450     -2.649958      0.982749
  N      -6.340450     -2.399818      2.278138
  C      -7.606294     -2.338907      2.763784
  H      -3.434266      4.981074      3.032912
  H      -4.445809      3.555805      2.758382
  H      -5.194062      5.835286      4.686513
  H      -5.722306      5.728867      3.005522
  H      -7.435582      4.873340      4.680675
  H      -6.314656      3.562564      5.114597
  H     -10.132138      1.582142      5.557432
  H     -11.144459     -0.064294      1.341972
  H     -10.025600      0.227447     -0.905228
  H      -7.960768      1.623560     -1.056165
  H      -1.738479     -1.462939      4.811131
  H      -3.443989     -1.162542      4.471063
  H      -1.047224     -0.514582      2.694573
  H      -2.505662      0.489441      2.603492
  H      -3.907569     -1.588125      2.242155
  H      -2.417424     -2.564343      2.230870
  H      -5.683530      1.761776      0.275827
  H      -4.005940      1.643855     -4.056193
  H      -2.180509      0.261364     -5.129206
  H      -0.944859     -1.402358     -3.736033
  H      -6.698380      0.662067      5.593569
  H      -7.072080      0.993699      7.290805
  H      -5.012430     -1.144834      6.536964
  H      -5.937020     -1.014217      8.043344
  H      -8.068690     -1.440799      6.573548
  H      -6.960377     -2.816110      6.823033
  H     -11.120510     -2.199791      4.196158
  H      -9.445868     -2.921213     -0.055387
  H      -7.085649     -3.038720     -0.961839
  H      -5.179220     -2.715738      0.603345
  N      -4.869471      1.096887      3.771647
  N      -5.517850      0.587479      2.897144
  H      -4.957767      0.345535      1.963764
98
Coordinates from ORCA-job orca E -6532.383109720489
  N      -3.523375      3.645791      4.640219
  Mo     -3.881096      1.786836      5.183261
  N      -5.114883      1.462501      6.679434
  C      -4.647374      1.731442      8.038375
  C      -3.580483      2.812915      8.004056
  N      -2.617809      2.529222      6.903276
  C      -1.915070      3.757655      6.443300
  C      -2.847577      4.561190      5.557303
  C      -1.651133      1.453042      7.257383
  C      -1.204222      0.754701      5.980135
  N      -2.391486      0.505774      5.167385
  H      -2.262281      5.305291      4.988629
  H      -3.575345      5.132198      6.163632
  H      -1.046610      3.433760      5.853971
  H      -1.551097      4.341340      7.305137
  H      -0.707497     -0.194824      6.238844
  H      -0.460958      1.363430      5.432169
  H      -2.178321      0.729664      7.893281
  H      -0.805204      1.870101      7.828783
  H      -5.487464      2.074037      8.669007
  H      -4.256879      0.810052      8.511711
  H      -4.052106      3.780088      7.782520
  H      -3.051629      2.899901      8.967749
  C      -4.174614      4.311356      3.505257
  C      -5.423217      5.125199      3.873790
  C      -6.592151      4.269791      4.313762
  O      -7.024213      3.515689      3.149792
  C      -8.064086      2.691844      3.306538
  N      -8.625314      2.535367      4.491040
  C      -9.706262      1.710728      4.557982
  N     -10.288804      1.059980      3.573768
  C      -9.709016      1.209248      2.341062
  C     -10.257798      0.556651      1.211834
  C      -9.634480      0.710152     -0.007775
  C      -8.468751      1.504760     -0.093471
  N      -7.930338      2.143757      0.937387
  C      -8.547779      2.006708      2.136695
  C      -2.436375     -0.725628      4.379856
  C      -2.131360     -0.504366      2.886725
  C      -2.827576     -1.561535      2.044039
  O      -2.588067     -1.357669      0.624466
  C      -3.283087     -0.442832     -0.037626
  N      -4.245027      0.280040      0.526520
  C      -4.903470      1.198329     -0.246597
  N      -4.704133      1.449369     -1.517179
  C      -3.722930      0.709404     -2.127561
  C      -3.433774      0.902571     -3.498373
  C      -2.438163      0.144413     -4.075910
  C      -1.738906     -0.798532     -3.285276
  N      -1.979657     -1.010002     -1.998778
  C      -2.958440     -0.266370     -1.430679
  C      -6.291927      0.600314      6.611438
  C      -5.990901     -0.870152      6.954301
  C      -7.041901     -1.810293      6.400199
  O      -6.810117     -1.926410      4.964757
  C      -7.865685     -2.107098      4.163230
  N      -9.093378     -2.079363      4.642882
  C     -10.115305     -2.248687      3.764881
  N     -10.034611     -2.472844      2.469598
  C      -8.765810     -2.525614      1.959584
  C      -8.571199     -2.774191      0.580299
  C      -7.284939     -2.839381      0.091915
  C      -6.203510     -2.652685      0.981818
  N      -6.339003     -2.402888      2.277441
  C      -7.604347     -2.339109      2.763974
  H      -3.432269      4.979453      3.031666
  H      -4.444362      3.554627      2.756598
  H      -5.192914      5.837070      4.681318
  H      -5.721324      5.726391      3.000683
  H      -7.434186      4.875034      4.678259
  H      -6.313660      3.564656      5.114429
  H     -10.137419      1.589709      5.556509
  H     -11.145619     -0.062335      1.341864
  H     -10.022199      0.223641     -0.903738
  H      -7.954304      1.615692     -1.053237
  H      -1.739756     -1.463271      4.811621
  H      -3.445244     -1.162946      4.471288
  H      -1.048434     -0.514991      2.695275
  H      -2.506080      0.490176      2.604655
  H      -3.909722     -1.586207      2.242565
  H      -2.420262     -2.563427      2.230366
  H      -5.682084      1.767506      0.274862
  H      -4.005050      1.644852     -4.057376
  H      -2.181065      0.259906     -5.129569
  H      -0.946756     -1.403851     -3.735287
  H      -6.698831      0.658246      5.594232
  H      -7.072598      0.988502      7.291762
  H      -5.008214     -1.145060      6.537035
  H      -5.932945     -1.017017      8.043437
  H      -8.063783     -1.449624      6.575320
  H      -6.950689     -2.821623      6.822793
  H     -11.117285     -2.191595      4.198661
  H      -9.447259     -2.914666     -0.054417
  H      -7.087974     -3.037770     -0.962451
  H      -5.179692     -2.720997      0.601763
  N      -4.870633      1.095165      3.771731
  N      -5.518203      0.585957      2.896611
  H      -4.957940      0.347093      1.961470
98
Coordinates from ORCA-job orca E -6532.383110139701
  N      -3.522989      3.645066      4.639776
  Mo     -3.880272      1.786227      5.183444
  N      -5.114373      1.462630      6.679475
  C      -4.646784      1.731620      8.038404
  C      -3.579839      2.813057      8.003971
  N      -2.617190      2.529218      6.903194
  C      -1.914665      3.757634      6.442798
  C      -2.847422      4.560802      5.556696
  C      -1.650338      1.453300      7.257629
  C      -1.203320      0.754616      5.980586
  N      -2.390551      0.505306      5.167900
  H      -2.262360      5.305034      4.987952
  H      -3.575327      5.131652      6.163019
  H      -1.046241      3.433697      5.853426
  H      -1.550664      4.341595      7.304437
  H      -0.706525     -0.194795      6.239592
  H      -0.460083      1.363251      5.432483
  H      -2.177385      0.730011      7.893749
  H      -0.804435      1.870663      7.828849
  H      -5.486811      2.074331      8.669052
  H      -4.256297      0.810260      8.511817
  H      -4.051487      3.780197      7.782336
  H      -3.050941      2.900158      8.967626
  C      -4.174370      4.310159      3.504590
  C      -5.422878      5.124246      3.872900
  C      -6.591955      4.268999      4.312831
  O      -7.024413      3.515144      3.148800
  C      -8.064188      2.691267      3.305930
  N      -8.624346      2.534245      4.490865
  C      -9.705322      1.709667      4.558378
  N     -10.288746      1.059369      3.574415
  C      -9.709955      1.209024      2.341278
  C     -10.259774      0.556879      1.212310
  C      -9.637522      0.710773     -0.007801
  C      -8.471835      1.505319     -0.094231
  N      -7.932421      2.143897      0.936401
  C      -8.548818      2.006473      2.136203
  C      -2.435052     -0.726010      4.380216
  C      -2.130199     -0.504543      2.887031
  C      -2.826140     -1.561886      2.044310
  O      -2.586767     -1.357766      0.624757
  C      -3.282658     -0.443544     -0.037183
  N      -4.245448      0.278121      0.527047
  C      -4.904701      1.196107     -0.245755
  N      -4.705272      1.447933     -1.516141
  C      -3.723167      0.709273     -2.126669
  C      -3.433796      0.903521     -3.497280
  C      -2.437298      0.146634     -4.074948
  C      -1.737426     -0.796168     -3.284666
  N      -1.978322     -1.008594     -1.998352
  C      -2.957938     -0.266160     -1.430108
  C      -6.291969      0.601187      6.611609
  C      -5.991919     -0.869564      6.954178
  C      -7.043721     -1.808798      6.400080
  O      -6.811664     -1.925113      4.964731
  C      -7.866957     -2.106502      4.163018
  N      -9.094814     -2.078952      4.642259
  C     -10.116402     -2.248627      3.763913
  N     -10.035216     -2.472968      2.468682
  C      -8.766216     -2.525619      1.959128
  C      -8.571015     -2.774370      0.579959
  C      -7.284541     -2.839379      0.092078
  C      -6.203490     -2.652371      0.982387
  N      -6.339558     -2.402446      2.277915
  C      -7.605107     -2.338778      2.763918
  H      -3.432039      4.977963      3.030560
  H      -4.444267      3.553070      2.756351
  H      -5.192498      5.836107      4.680412
  H      -5.720870      5.725433      2.999754
  H      -7.433851      4.874362      4.677454
  H      -6.313521      3.563693      5.113354
  H     -10.135539      1.588122      5.557259
  H     -11.147492     -0.062143      1.342866
  H     -10.026124      0.224641     -0.903585
  H      -7.958281      1.616634     -1.054428
  H      -1.738098     -1.463444      4.811803
  H      -3.443739     -1.163780      4.471640
  H      -1.047306     -0.514858      2.695400
  H      -2.505259      0.489919      2.605126
  H      -3.908293     -1.586969      2.242788
  H      -2.418499     -2.563667      2.230526
  H      -5.684144      1.764060      0.275790
  H      -4.005606      1.645631     -4.055975
  H      -2.179940      0.263049     -5.128447
  H      -0.944611     -1.400529     -3.734805
  H      -6.699192      0.659594      5.594545
  H      -7.072179      0.989726      7.292263
  H      -5.009556     -1.145135      6.536580
  H      -5.933751     -1.016580      8.043275
  H      -8.065299     -1.447140      6.574974
  H      -6.953618     -2.820181      6.822801
  H     -11.118550     -2.191867      4.197357
  H      -9.446794     -2.915083     -0.055101
  H      -7.087145     -3.037901     -0.962181
  H      -5.179495     -2.720571      0.602764
  N      -4.869845      1.094558      3.771781
  N      -5.517393      0.586095      2.896326
  H      -4.956661      0.346011      1.961444
98
Coordinates from ORCA-job orca E -6532.383111296836
  N      -3.522649      3.643961      4.639319
  Mo     -3.879583      1.785335      5.183978
  N      -5.114076      1.462752      6.679879
  C      -4.646287      1.731843      8.038755
  C      -3.579200      2.813160      8.004078
  N      -2.616645      2.529031      6.903276
  C      -1.914292      3.757341      6.442273
  C      -2.847294      4.560092      5.556014
  C      -1.649663      1.453337      7.258080
  C      -1.202608      0.754138      5.981303
  N      -2.389841      0.504438      5.168744
  H      -2.262464      5.304421      4.987156
  H      -3.575322      5.130826      6.162314
  H      -1.045962      3.433234      5.852851
  H      -1.550179      4.341668      7.303618
  H      -0.705812     -0.195167      6.240717
  H      -0.459359      1.362581      5.432999
  H      -2.176605      0.730228      7.894495
  H      -0.803751      1.871002      7.829070
  H      -5.486176      2.074775      8.669463
  H      -4.255836      0.810518      8.512272
  H      -4.050796      3.780294      7.782311
  H      -3.050213      2.900374      8.967671
  C      -4.173944      4.308454      3.503711
  C      -5.422311      5.123051      3.871415
  C      -6.591689      4.268278      4.311472
  O      -7.024527      3.514377      3.147560
  C      -8.064508      2.690860      3.305121
  N      -8.624049      2.534029      4.490375
  C      -9.705261      1.709797      4.558518
  N     -10.289374      1.059560      3.574947
  C      -9.711106      1.208825      2.341511
  C     -10.261669      0.556629      1.212956
  C      -9.639996      0.710104     -0.007514
  C      -8.474149      1.504288     -0.094681
  N      -7.933997      2.142910      0.935576
  C      -8.549830      2.005920      2.135712
  C      -2.433977     -0.726650      4.380712
  C      -2.129665     -0.504731      2.887420
  C      -2.826259     -1.561563      2.044592
  O      -2.586908     -1.357169      0.625051
  C      -3.282815     -0.442964     -0.036765
  N      -4.245925      0.278386      0.527372
  C      -4.905253      1.196482     -0.245285
  N      -4.705597      1.448606     -1.515538
  C      -3.723187      0.710337     -2.126062
  C      -3.433497      0.905124     -3.496523
  C      -2.436739      0.148575     -4.074188
  C      -1.736967     -0.794445     -3.284056
  N      -1.978134     -1.007336     -1.997871
  C      -2.957957     -0.265176     -1.429621
  C      -6.292090      0.601874      6.612237
  C      -5.992676     -0.869141      6.954282
  C      -7.044992     -1.807686      6.400033
  O      -6.812598     -1.923967      4.964752
  C      -7.867603     -2.105828      4.162820
  N      -9.095613     -2.078485      4.641690
  C     -10.116872     -2.248634      3.763030
  N     -10.035218     -2.473165      2.467855
  C      -8.766039     -2.525665      1.958718
  C      -8.570278     -2.774637      0.579669
  C      -7.283607     -2.839583      0.092283
  C      -6.202906     -2.652307      0.982974
  N      -6.339512     -2.402140      2.278392
  C      -7.605264     -2.338469      2.763875
  H      -3.431490      4.975789      3.029208
  H      -4.443999      3.550904      2.755995
  H      -5.191881      5.835204      4.678648
  H      -5.720039      5.723931      2.997970
  H      -7.433389      4.873969      4.676006
  H      -6.313466      3.562981      5.112066
  H     -10.134944      1.588421      5.557659
  H     -11.149488     -0.062143      1.344031
  H     -10.029253      0.223943     -0.902996
  H      -7.961083      1.615334     -1.055170
  H      -1.736552     -1.463913      4.811841
  H      -3.442440     -1.164938      4.472264
  H      -1.046873     -0.515335      2.695246
  H      -2.504545      0.489968      2.606102
  H      -3.908422     -1.586256      2.243087
  H      -2.419075     -2.563583      2.230520
  H      -5.685179      1.763811      0.276221
  H      -4.005297      1.647362     -4.055070
  H      -2.179106      0.265424     -5.127574
  H      -0.944020     -1.398614     -3.734218
  H      -6.699774      0.660818      5.595381
  H      -7.071815      0.990529      7.293381
  H      -5.010557     -1.145059      6.536330
  H      -5.934260     -1.016458      8.043321
  H      -8.066386     -1.445382      6.574697
  H      -6.955678     -2.819153      6.822742
  H     -11.119180     -2.192185      4.196159
  H      -9.445788     -2.915602     -0.055711
  H      -7.085813     -3.038320     -0.961861
  H      -5.178746     -2.720538      0.603778
  N      -4.869174      1.093626      3.772058
  N      -5.516641      0.586626      2.895899
  H      -4.955551      0.346355      1.960690
98
Coordinates from ORCA-job orca E -6532.383112210289
  N      -3.522208      3.642744      4.638406
  Mo     -3.879325      1.784465      5.184291
  N      -5.114221      1.463026      6.680146
  C      -4.646358      1.732588      8.038924
  C      -3.579054      2.813679      8.003802
  N      -2.616521      2.528883      6.903144
  C      -1.914018      3.756865      6.441479
  C      -2.846955      4.559247      5.554822
  C      -1.649694      1.453220      7.258509
  C      -1.202552      0.753364      5.982112
  N      -2.389708      0.503377      5.169530
  H      -2.262103      5.303411      4.985765
  H      -3.575042      5.130169      6.160884
  H      -1.045752      3.432321      5.852204
  H      -1.549811      4.341612      7.302501
  H      -0.705891     -0.195868      6.242073
  H      -0.459155      1.361494      5.433651
  H      -2.176807      0.730451      7.895170
  H      -0.803801      1.871042      7.829415
  H      -5.486160      2.075963      8.669510
  H      -4.256061      0.811394      8.512829
  H      -4.050442      3.780817      7.781610
  H      -3.050084      2.901170      8.967380
  C      -4.173231      4.306754      3.502403
  C      -5.421559      5.121645      3.869585
  C      -6.591022      4.267181      4.310008
  O      -7.024176      3.513137      3.146288
  C      -8.064379      2.689955      3.304131
  N      -8.623729      2.533424      4.489529
  C      -9.705267      1.709650      4.557990
  N     -10.289875      1.059567      3.574608
  C      -9.711840      1.208542      2.341030
  C     -10.262996      0.556598      1.212629
  C      -9.641566      0.709726     -0.008010
  C      -8.475365      1.503332     -0.095498
  N      -7.934682      2.141783      0.934595
  C      -8.550258      2.005125      2.134896
  C      -2.433338     -0.727465      4.381108
  C      -2.129376     -0.504935      2.887789
  C      -2.826199     -1.561333      2.044637
  O      -2.586695     -1.356375      0.625172
  C      -3.282806     -0.442351     -0.036537
  N      -4.246509      0.278396      0.527434
  C      -4.906038      1.196473     -0.245126
  N      -4.705921      1.449193     -1.515162
  C      -3.722855      0.711674     -2.125556
  C      -3.432644      0.907219     -3.495796
  C      -2.435198      0.151471     -4.073327
  C      -1.735277     -0.791508     -3.283277
  N      -1.976943     -1.005108     -1.997297
  C      -2.957455     -0.263745     -1.429195
  C      -6.292249      0.602152      6.612831
  C      -5.992645     -0.868873      6.954684
  C      -7.044939     -1.807594      6.400730
  O      -6.812981     -1.923737      4.965349
  C      -7.868138     -2.105750      4.163678
  N      -9.096066     -2.078648      4.642800
  C     -10.117454     -2.249164      3.764347
  N     -10.036007     -2.473728      2.469166
  C      -8.766932     -2.525727      1.959730
  C      -8.571358     -2.774469      0.580610
  C      -7.284763     -2.838874      0.092950
  C      -6.203940     -2.651311      0.983440
  N      -6.340381     -2.401353      2.278912
  C      -7.606058     -2.338186      2.764645
  H      -3.430677      4.973823      3.027673
  H      -4.443306      3.548896      2.755004
  H      -5.191148      5.834269      4.676408
  H      -5.719225      5.722046      2.995784
  H      -7.432568      4.873043      4.674601
  H      -6.312769      3.561954      5.110657
  H     -10.134726      1.588508      5.557265
  H     -11.151113     -0.061697      1.343909
  H     -10.031299      0.223734     -0.903375
  H      -7.962486      1.614107     -1.056114
  H      -1.735423     -1.464489      4.811853
  H      -3.441554     -1.166338      4.472685
  H      -1.046637     -0.515565      2.695318
  H      -2.504206      0.489947      2.607035
  H      -3.908383     -1.585984      2.243027
  H      -2.419205     -2.563501      2.230180
  H      -5.686431      1.763206      0.276343
  H      -4.004577      1.649414     -4.054268
  H      -2.177120      0.268950     -5.126535
  H      -0.941736     -1.394991     -3.733321
  H      -6.700273      0.661209      5.596104
  H      -7.071753      0.990689      7.294292
  H      -5.010609     -1.144658      6.536432
  H      -5.933842     -1.016225      8.043697
  H      -8.066381     -1.445604      6.575733
  H      -6.955159     -2.819078      6.823300
  H     -11.119683     -2.193096      4.197716
  H      -9.446943     -2.915674     -0.054615
  H      -7.087125     -3.037391     -0.961264
  H      -5.179821     -2.719150      0.604047
  N      -4.868884      1.092474      3.772192
  N      -5.516278      0.587008      2.895272
  H      -4.954899      0.346386      1.959746
98
Coordinates from ORCA-job orca E -6532.383112638378
  N      -3.522010      3.641865      4.637975
  Mo     -3.879286      1.783845      5.184756
  N      -5.114380      1.463339      6.680664
  C      -4.646391      1.733283      8.039333
  C      -3.578799      2.814092      8.003752
  N      -2.616412      2.528647      6.903118
  C      -1.913622      3.756256      6.440868
  C      -2.846440      4.558538      5.554004
  C      -1.649841      1.452868      7.258868
  C      -1.202733      0.752448      5.982764
  N      -2.389835      0.502492      5.170096
  H      -2.261449      5.302367      4.984648
  H      -3.574338      5.129854      6.159924
  H      -1.045538      3.431195      5.851617
  H      -1.549133      4.341251      7.301604
  H      -0.706392     -0.196833      6.243181
  H      -0.459051      1.360162      5.434212
  H      -2.177204      0.730430      7.895698
  H      -0.803903      1.870670      7.829720
  H      -5.486067      2.077152      8.669822
  H      -4.256312      0.812175      8.513572
  H      -4.049930      3.781284      7.781259
  H      -3.049742      2.901742      8.967268
  C      -4.173071      4.305637      3.501866
  C      -5.421275      5.120839      3.868862
  C      -6.590960      4.266735      4.309358
  O      -7.024307      3.512716      3.145693
  C      -8.064745      2.689837      3.303565
  N      -8.624233      2.533647      4.488954
  C      -9.705925      1.710100      4.557512
  N     -10.290572      1.059870      3.574234
  C      -9.712408      1.208513      2.340681
  C     -10.263562      0.556410      1.212373
  C      -9.642025      0.709155     -0.008262
  C      -8.475714      1.502589     -0.095833
  N      -7.935031      2.141201      0.934154
  C      -8.550686      2.004890      2.134447
  C      -2.433205     -0.728098      4.381285
  C      -2.129761     -0.505066      2.887913
  C      -2.827299     -1.560842      2.044609
  O      -2.587675     -1.355706      0.625162
  C      -3.283240     -0.441260     -0.036508
  N      -4.246805      0.279810      0.527319
  C      -4.905899      1.198182     -0.245280
  N      -4.705505      1.450859     -1.515271
  C      -3.722569      0.713057     -2.125535
  C      -3.432099      0.908554     -3.495724
  C      -2.434823      0.152485     -4.073130
  C      -1.735324     -0.790746     -3.282997
  N      -1.977240     -1.004306     -1.997063
  C      -2.957595     -0.262637     -1.429094
  C      -6.292372      0.602414      6.613563
  C      -5.992635     -0.868615      6.955263
  C      -7.044732     -1.807395      6.401056
  O      -6.812608     -1.923304      4.965656
  C      -7.867694     -2.105670      4.164002
  N      -9.095609     -2.078865      4.643200
  C     -10.116993     -2.249811      3.764820
  N     -10.035567     -2.474499      2.469670
  C      -8.766517     -2.526148      1.960145
  C      -8.570982     -2.775011      0.581042
  C      -7.284417     -2.839107      0.093282
  C      -6.203575     -2.651136      0.983661
  N      -6.339972     -2.401028      2.279114
  C      -7.605639     -2.338138      2.764946
  H      -3.430514      4.972557      3.026923
  H      -4.443279      3.547644      2.754647
  H      -5.190761      5.833571      4.675562
  H      -5.718741      5.721174      2.994945
  H      -7.432368      4.872773      4.673974
  H      -6.312826      3.561498      5.110050
  H     -10.135535      1.589329      5.556770
  H     -11.151826     -0.061666      1.343724
  H     -10.031740      0.223019     -0.903555
  H      -7.962759      1.613059     -1.056444
  H      -1.734855     -1.464981      4.811571
  H      -3.441225     -1.167398      4.473024
  H      -1.047112     -0.516055      2.694945
  H      -2.504311      0.490081      2.607718
  H      -3.909479     -1.584921      2.243050
  H      -2.420930     -2.563310      2.229908
  H      -5.686230      1.765124      0.276068
  H      -4.003726      1.650941     -4.054257
  H      -2.176579      0.269888     -5.126307
  H      -0.941943     -1.394492     -3.732953
  H      -6.700509      0.661453      5.596879
  H      -7.071821      0.990893      7.295119
  H      -5.010521     -1.144220      6.537059
  H      -5.933919     -1.016122      8.044261
  H      -8.066262     -1.445612      6.575968
  H      -6.954835     -2.818917      6.823513
  H     -11.119204     -2.194012      4.198285
  H      -9.446590     -2.916559     -0.054080
  H      -7.086812     -3.037696     -0.960925
  H      -5.179474     -2.718799      0.604178
  N      -4.868941      1.091747      3.772578
  N      -5.516520      0.587782      2.895048
  H      -4.955252      0.347414      1.959181
