99
Coordinates from ORCA-job orca E -6478.679354507562
  N      -4.638728      3.599312      5.119316
  Mo     -3.956368      1.810935      4.680588
  N      -4.489662      0.931504      6.344889
  C      -3.605303      1.069143      7.487190
  C      -3.012992      2.484055      7.483944
  N      -2.475424      2.797070      6.148700
  C      -2.473082      4.246038      5.908935
  C      -3.915206      4.721017      5.657494
  C      -1.126465      2.236958      5.969538
  C      -1.085589      1.587778      4.573774
  N      -2.290432      0.795913      4.463017
  H      -3.910940      5.563334      4.947102
  H      -4.379133      5.081912      6.588582
  H      -1.879690      4.434100      5.009715
  H      -2.021671      4.783462      6.752270
  H      -0.174969      0.992414      4.457307
  H      -1.089594      2.368849      3.803603
  H      -0.955953      1.457155      6.715819
  H      -0.353354      3.002401      6.080389
  H      -4.142281      0.916261      8.431608
  H      -2.802646      0.317944      7.437638
  H      -3.823786      3.183326      7.700849
  H      -2.238340      2.589825      8.251754
  C      -5.729830      3.856586      4.244856
  C      -7.032482      4.272914      4.950313
  C      -7.604621      3.062088      5.692735
  O      -7.660695      1.955017      4.790409
  C      -8.730322      1.957469      3.944903
  N      -9.907345      2.273386      4.471678
  C     -10.944164      2.331325      3.652544
  N     -10.934481      2.168540      2.359383
  C      -9.740129      1.901460      1.787959
  C      -9.652144      1.807458      0.395308
  C      -8.403827      1.575502     -0.158853
  C      -7.299918      1.484801      0.672966
  N      -7.335207      1.592579      2.002165
  C      -8.558233      1.772770      2.559407
  C      -2.054322     -0.615237      4.663857
  C      -1.470180     -1.294011      3.394395
  C      -2.454967     -2.229664      2.677048
  O      -2.350508     -2.159232      1.252208
  C      -2.882678     -1.109158      0.648884
  N      -3.378880     -0.112517      1.346043
  C      -4.002499      0.872026      0.683960
  N      -4.163505      0.975400     -0.598441
  C      -3.610572     -0.003662     -1.367068
  C      -3.706351      0.031648     -2.772205
  C      -3.133450     -0.986335     -3.491225
  C      -2.477445     -2.023321     -2.804456
  N      -2.376001     -2.083149     -1.500971
  C      -2.926368     -1.095194     -0.783660
  C      -5.731400      0.276412      6.655216
  C      -5.664114     -1.270275      6.755426
  C      -6.832241     -1.916173      6.010252
  O      -6.609857     -1.787843      4.598719
  C      -7.569685     -1.270128      3.791615
  N      -8.710683     -0.843874      4.292466
  C      -9.667242     -0.547039      3.421556
  N      -9.671345     -0.769739      2.136726
  C      -8.486779     -1.136563      1.593890
  C      -8.374867     -1.373168      0.216522
  C      -7.155974     -1.821508     -0.273745
  C      -6.091165     -1.958127      0.598738
  N      -6.147529     -1.703858      1.904399
  C      -7.342187     -1.330689      2.393817
  H      -5.470165      4.621167      3.479906
  H      -5.904782      2.887218      3.748612
  H      -6.859558      5.088178      5.653289
  H      -7.754289      4.608279      4.199511
  H      -8.600308      3.263796      6.095829
  H      -6.926721      2.755329      6.492614
  H     -11.895600      2.568424      4.111638
  H     -10.542501      1.899169     -0.204987
  H      -8.270753      1.484256     -1.225362
  H      -6.319711      1.319980      0.252976
  H      -1.351068     -0.774876      5.494274
  H      -3.006427     -1.092097      4.923871
  H      -0.570143     -1.853502      3.643809
  H      -1.189837     -0.503215      2.695072
  H      -3.492417     -2.001647      2.953227
  H      -2.243621     -3.276845      2.900795
  H      -4.407299      1.656272      1.295793
  H      -4.218377      0.858976     -3.239208
  H      -3.176732     -0.998046     -4.568419
  H      -2.013666     -2.838443     -3.342159
  H      -6.440189      0.520001      5.861403
  H      -6.145452      0.660837      7.601218
  H      -4.734900     -1.625813      6.303016
  H      -5.688461     -1.601436      7.792073
  H      -7.785740     -1.448350      6.267561
  H      -6.883364     -2.989426      6.222958
  H     -10.592875     -0.198171      3.851901
  H      -9.235963     -1.246297     -0.420243
  H      -7.031491     -2.054486     -1.319444
  H      -5.129173     -2.306833      0.242688
  N      -5.288559      1.059993      3.197937
  H      -4.878020      0.311011      2.642199
  H      -5.581759      1.774554      2.533259
  H      -6.145409      0.677560      3.595322
99
Coordinates from ORCA-job orca E -6478.714511818735
  N      -4.593822      3.599491      5.150318
  Mo     -3.902184      1.798321      4.720840
  N      -4.469558      0.915747      6.373848
  C      -3.602335      1.056395      7.536433
  C      -3.012752      2.475164      7.546632
  N      -2.449654      2.793501      6.216787
  C      -2.440863      4.246816      5.976700
  C      -3.873824      4.720993      5.700972
  C      -1.090834      2.234119      6.051482
  C      -1.031159      1.592201      4.647360
  N      -2.233294      0.784332      4.514328
  H      -3.858833      5.564765      4.991070
  H      -4.351223      5.082017      6.627080
  H      -1.830651      4.433900      5.086487
  H      -2.001291      4.784042      6.828657
  H      -0.114660      1.001831      4.534234
  H      -1.029433      2.382325      3.884097
  H      -0.924557      1.450964      6.797603
  H      -0.322107      3.004871      6.176044
  H      -4.157313      0.902358      8.471635
  H      -2.796478      0.305277      7.502092
  H      -3.829297      3.174290      7.749623
  H      -2.251346      2.581632      8.330296
  C      -5.681350      3.882981      4.263386
  C      -6.992310      4.315413      4.967579
  C      -7.599153      3.119699      5.698634
  O      -7.731603      2.036547      4.770892
  C      -8.875748      2.093670      4.014706
  N      -9.991747      2.369422      4.678980
  C     -11.124557      2.448127      3.983414
  N     -11.266860      2.338754      2.686223
  C     -10.138306      2.112985      1.973702
  C     -10.206227      2.055385      0.572931
  C      -9.028521      1.850305     -0.127974
  C      -7.829377      1.758599      0.572241
  N      -7.725729      1.829921      1.896985
  C      -8.869679      1.974514      2.603792
  C      -1.962666     -0.624516      4.700276
  C      -1.359304     -1.244658      3.409254
  C      -2.272234     -2.230087      2.651539
  O      -2.165550     -2.131871      1.219575
  C      -2.822362     -1.178096      0.565375
  N      -3.547330     -0.267599      1.188961
  C      -4.289701      0.572712      0.434415
  N      -4.362406      0.613005     -0.865628
  C      -3.578247     -0.269210     -1.548108
  C      -3.566154     -0.288644     -2.958912
  C      -2.765810     -1.206652     -3.595734
  C      -1.991825     -2.094597     -2.822339
  N      -1.984891     -2.102560     -1.507186
  C      -2.758749     -1.206515     -0.870109
  C      -5.731152      0.259590      6.647988
  C      -5.705488     -1.293142      6.753959
  C      -6.873194     -1.921554      5.983994
  O      -6.620603     -1.824421      4.570215
  C      -7.537925     -1.288930      3.727338
  N      -8.676185     -0.795049      4.179573
  C      -9.593709     -0.456573      3.264330
  N      -9.556666     -0.687874      1.974025
  C      -8.368724     -1.125947      1.481081
  C      -8.207536     -1.364281      0.103820
  C      -6.998443     -1.881385     -0.335648
  C      -5.975938     -2.082122      0.584109
  N      -6.070343     -1.821718      1.887941
  C      -7.264874     -1.380886      2.332024
  H      -5.406166      4.650725      3.507895
  H      -5.872361      2.930415      3.754622
  H      -6.783456      5.120240      5.677203
  H      -7.717069      4.679233      4.230143
  H      -8.581804      3.331920      6.130048
  H      -6.907236      2.788258      6.478170
  H     -12.021563      2.651929      4.561953
  H     -11.164513      2.146452      0.080258
  H      -9.023540      1.776398     -1.205535
  H      -6.887359      1.617427      0.047586
  H      -1.253276     -0.766972      5.530395
  H      -2.893178     -1.146847      4.955508
  H      -0.428981     -1.765951      3.643057
  H      -1.121806     -0.415269      2.737226
  H      -3.332329     -2.111027      2.913602
  H      -1.960012     -3.255667      2.863794
  H      -4.906289      1.279173      0.981374
  H      -4.180698      0.422683     -3.496370
  H      -2.721515     -1.253094     -4.675867
  H      -1.349284     -2.828839     -3.297217
  H      -6.416020      0.513726      5.834576
  H      -6.163760      0.652570      7.583222
  H      -4.771540     -1.676327      6.329626
  H      -5.766829     -1.615830      7.795093
  H      -7.819992     -1.424447      6.217022
  H      -6.958392     -2.991977      6.206708
  H     -10.515159     -0.032125      3.654284
  H      -9.029631     -1.176784     -0.574117
  H      -6.842225     -2.118011     -1.380131
  H      -5.021024     -2.486242      0.262890
  N      -5.204762      1.025497      3.230141
  H      -4.773106      0.268864      2.692212
  H      -5.496129      1.723437      2.543103
  H      -6.065480      0.641508      3.617977
99
Coordinates from ORCA-job orca E -6478.740957886160
  N      -4.570526      3.618471      5.121106
  Mo     -3.906547      1.786069      4.720254
  N      -4.488187      0.916144      6.378872
  C      -3.614474      1.067430      7.539942
  C      -3.016745      2.479481      7.547031
  N      -2.445282      2.779266      6.212942
  C      -2.409187      4.233974      5.952951
  C      -3.826710      4.731019      5.663191
  C      -1.088816      2.192816      6.052393
  C      -1.034806      1.541694      4.651384
  N      -2.250526      0.741717      4.514908
  H      -3.791682      5.567152      4.943076
  H      -4.301112      5.114049      6.584758
  H      -1.789515      4.396511      5.061655
  H      -1.959541      4.773366      6.801331
  H      -0.124327      0.937343      4.540103
  H      -1.017209      2.332066      3.885566
  H      -0.935700      1.412635      6.807592
  H      -0.308294      2.956051      6.174470
  H      -4.173242      0.920785      8.476157
  H      -2.809241      0.312165      7.512441
  H      -3.825846      3.191778      7.744519
  H      -2.253582      2.583384      8.333089
  C      -5.656300      3.940584      4.231022
  C      -6.956712      4.413232      4.928131
  C      -7.575664      3.224225      5.645345
  O      -7.699574      2.162274      4.682100
  C      -8.838219      2.162726      3.915900
  N      -9.985930      2.313144      4.561219
  C     -11.118181      2.271217      3.841362
  N     -11.232374      2.148555      2.535088
  C     -10.069161      2.045883      1.842795
  C     -10.101121      1.943085      0.438652
  C      -8.898592      1.835557     -0.236773
  C      -7.701774      1.894451      0.484824
  N      -7.630260      2.009296      1.809309
  C      -8.797994      2.050557      2.497763
  C      -2.029044     -0.679374      4.696490
  C      -1.447115     -1.308676      3.398291
  C      -2.415054     -2.226603      2.626963
  O      -2.288048     -2.104003      1.191377
  C      -2.865395     -1.096460      0.538771
  N      -3.532117     -0.135281      1.156929
  C      -4.190572      0.768881      0.387582
  N      -4.233867      0.828066     -0.919398
  C      -3.502065     -0.112987     -1.588662
  C      -3.458323     -0.124023     -3.001059
  C      -2.715525     -1.098053     -3.630824
  C      -2.027133     -2.052222     -2.848795
  N      -2.049829     -2.072431     -1.527035
  C      -2.771087     -1.119413     -0.898896
  C      -5.749917      0.257010      6.679273
  C      -5.677710     -1.297388      6.822862
  C      -6.829743     -2.003866      6.106370
  O      -6.603745     -1.933178      4.686037
  C      -7.571708     -1.452850      3.883118
  N      -8.713099     -1.016621      4.386618
  C      -9.680964     -0.685567      3.508413
  N      -9.661963     -0.858876      2.203003
  C      -8.471417     -1.236525      1.659841
  C      -8.331240     -1.383755      0.263412
  C      -7.115435     -1.828453     -0.231126
  C      -6.056514     -2.048704      0.658958
  N      -6.130918     -1.865110      1.976618
  C      -7.334114     -1.494604      2.472424
  H      -5.358422      4.695861      3.473182
  H      -5.889666      3.005542      3.722098
  H      -6.732764      5.215292      5.642458
  H      -7.671781      4.798271      4.188056
  H      -8.557088      3.426382      6.087176
  H      -6.881115      2.875562      6.417841
  H     -12.044564      2.374904      4.409380
  H     -11.059262      1.912608     -0.072012
  H      -8.867147      1.713038     -1.313649
  H      -6.740395      1.832940     -0.028567
  H      -1.333078     -0.859234      5.532873
  H      -2.984319     -1.163911      4.941850
  H      -0.539257     -1.877582      3.628594
  H      -1.166266     -0.483813      2.733764
  H      -3.467035     -2.045038      2.891967
  H      -2.170321     -3.276257      2.818289
  H      -4.769931      1.518523      0.935599
  H      -4.005967      0.639834     -3.548110
  H      -2.650761     -1.139132     -4.715235
  H      -1.430907     -2.831813     -3.323732
  H      -6.455746      0.487422      5.873020
  H      -6.173655      0.665809      7.613209
  H      -4.735043     -1.657830      6.390047
  H      -5.707425     -1.592990      7.877722
  H      -7.794765     -1.540610      6.345362
  H      -6.864347     -3.070992      6.363709
  H     -10.605164     -0.277871      3.940235
  H      -9.177024     -1.167008     -0.387431
  H      -6.972427     -1.990751     -1.296505
  H      -5.087715     -2.391483      0.291081
  N      -5.228768      0.991093      3.230317
  H      -4.788633      0.212310      2.716055
  H      -5.518522      1.665485      2.512427
  H      -6.107234      0.619496      3.611592
99
Coordinates from ORCA-job orca E -6478.755936744350
  N      -4.534604      3.680338      5.131938
  Mo     -3.905655      1.816426      4.743857
  N      -4.516284      0.944661      6.387029
  C      -3.640267      1.078117      7.552813
  C      -3.014096      2.474346      7.572540
  N      -2.427025      2.770043      6.239250
  C      -2.353109      4.228674      5.979307
  C      -3.753305      4.765838      5.682666
  C      -1.079018      2.149272      6.070193
  C      -1.035645      1.519490      4.661795
  N      -2.264149      0.736403      4.507849
  H      -3.690209      5.605216      4.966178
  H      -4.219632      5.162281      6.605743
  H      -1.722353      4.371052      5.090014
  H      -1.886506      4.752848      6.830774
  H      -0.134152      0.899947      4.537602
  H      -0.997490      2.324248      3.909429
  H      -0.944055      1.358524      6.820340
  H      -0.283578      2.898496      6.204833
  H      -4.208900      0.936093      8.485957
  H      -2.847373      0.307109      7.527702
  H      -3.806493      3.208222      7.768225
  H      -2.250905      2.558369      8.364315
  C      -5.620794      4.064806      4.255189
  C      -6.897619      4.563098      4.973073
  C      -7.547314      3.382932      5.691856
  O      -7.724178      2.300819      4.741092
  C      -8.864379      2.269140      3.998019
  N     -10.015447      2.415201      4.630377
  C     -11.149421      2.304395      3.901563
  N     -11.251764      2.114382      2.596971
  C     -10.073331      2.009805      1.921192
  C     -10.080656      1.818426      0.521595
  C      -8.872476      1.698270     -0.132994
  C      -7.674680      1.827740      0.597313
  N      -7.620905      2.022976      1.912098
  C      -8.804057      2.083899      2.583361
  C      -2.096237     -0.700577      4.653861
  C      -1.545969     -1.351379      3.349167
  C      -2.587724     -2.193055      2.591774
  O      -2.461158     -2.081771      1.149575
  C      -2.969358     -1.031418      0.513597
  N      -3.557573     -0.034490      1.154965
  C      -4.150978      0.930157      0.401962
  N      -4.204779      1.019542     -0.907562
  C      -3.549331      0.029781     -1.594669
  C      -3.518819      0.036569     -3.008573
  C      -2.856342     -0.981801     -3.661828
  C      -2.232265     -1.999591     -2.901724
  N      -2.242532     -2.041990     -1.575190
  C      -2.887966     -1.042823     -0.927645
  C      -5.801038      0.311050      6.656467
  C      -5.751213     -1.239133      6.822609
  C      -6.886788     -1.963603      6.105370
  O      -6.618047     -1.966304      4.681114
  C      -7.538396     -1.530741      3.807641
  N      -8.692050     -1.020824      4.205537
  C      -9.602713     -0.722671      3.241984
  N      -9.508461     -0.979740      1.950034
  C      -8.300030     -1.444411      1.514491
  C      -8.073275     -1.690084      0.139137
  C      -6.847894     -2.201627     -0.245386
  C      -5.847605     -2.402278      0.729137
  N      -6.001502     -2.134793      2.021820
  C      -7.221611     -1.689734      2.414375
  H      -5.303753      4.818358      3.504880
  H      -5.909876      3.160169      3.727456
  H      -6.645361      5.350940      5.699299
  H      -7.603278      4.986105      4.241377
  H      -8.514586      3.612196      6.155561
  H      -6.852940      3.004599      6.453141
  H     -12.085162      2.406308      4.460905
  H     -11.036089      1.731304      0.003802
  H      -8.829473      1.504382     -1.204109
  H      -6.707955      1.753490      0.088827
  H      -1.414186     -0.924977      5.492913
  H      -3.075420     -1.141673      4.891765
  H      -0.668941     -1.975919      3.572355
  H      -1.214174     -0.544604      2.682705
  H      -3.618901     -1.928164      2.872901
  H      -2.428717     -3.262022      2.773802
  H      -4.669358      1.712545      0.975739
  H      -4.014195      0.850140     -3.540933
  H      -2.805228     -1.010678     -4.751349
  H      -1.700540     -2.814137     -3.402744
  H      -6.488102      0.555113      5.833873
  H      -6.238722      0.737947      7.576843
  H      -4.797758     -1.618631      6.425174
  H      -5.808916     -1.507662      7.887521
  H      -7.858952     -1.492926      6.301863
  H      -6.929438     -3.020441      6.405115
  H     -10.527132     -0.230465      3.582226
  H      -8.868016     -1.480567     -0.580633
  H      -6.641276     -2.433146     -1.291228
  H      -4.866037     -2.795812      0.442825
  N      -5.265645      1.021639      3.253515
  H      -4.827575      0.226858      2.749868
  H      -5.565197      1.679533      2.517117
  H      -6.148752      0.669172      3.641221
99
Coordinates from ORCA-job orca E -6478.766665670250
  N      -4.574439      3.656185      5.120225
  Mo     -3.886727      1.793458      4.762079
  N      -4.480156      0.900204      6.396294
  C      -3.603634      1.057773      7.559623
  C      -3.022396      2.468852      7.585822
  N      -2.439857      2.785094      6.254112
  C      -2.401683      4.246544      5.987042
  C      -3.809966      4.753185      5.677856
  C      -1.072263      2.200103      6.082274
  C      -1.006829      1.587037      4.673157
  N      -2.203125      0.759914      4.506612
  H      -3.755764      5.594114      4.961452
  H      -4.290208      5.145189      6.597569
  H      -1.766760      4.394925      5.100783
  H      -1.945881      4.781715      6.838561
  H      -0.084025      0.998428      4.542271
  H      -0.988674      2.400576      3.928388
  H      -0.916792      1.411534      6.831637
  H      -0.302162      2.975381      6.226533
  H      -4.170498      0.895126      8.491832
  H      -2.787456      0.310484      7.534871
  H      -3.833922      3.183222      7.779713
  H      -2.261892      2.574641      8.379018
  C      -5.668894      4.053714      4.250484
  C      -6.954449      4.520086      4.967550
  C      -7.625512      3.323041      5.644882
  O      -7.807813      2.271992      4.646822
  C      -8.934597      2.269000      3.906547
  N     -10.101016      2.363711      4.512600
  C     -11.215371      2.257978      3.741310
  N     -11.275599      2.119232      2.425307
  C     -10.070860      2.067592      1.783857
  C     -10.024203      1.920078      0.376188
  C      -8.797548      1.843136     -0.242013
  C      -7.619434      1.969475      0.533668
  N      -7.612810      2.121466      1.853021
  C      -8.823453      2.140780      2.484600
  C      -1.995320     -0.676277      4.634373
  C      -1.427881     -1.337482      3.339952
  C      -2.463882     -2.207852      2.613253
  O      -2.341720     -2.142853      1.163313
  C      -2.878928     -1.119700      0.515439
  N      -3.488623     -0.136379      1.155880
  C      -4.107647      0.808377      0.398696
  N      -4.174769      0.893920     -0.911919
  C      -3.498417     -0.089405     -1.594070
  C      -3.477852     -0.091858     -3.008057
  C      -2.795549     -1.098884     -3.659291
  C      -2.141013     -2.096969     -2.897462
  N      -2.138957     -2.133515     -1.568861
  C      -2.805716     -1.143047     -0.926790
  C      -5.746399      0.234522      6.667121
  C      -5.642992     -1.308201      6.814615
  C      -6.778566     -2.047059      6.128287
  O      -6.580619     -2.002987      4.687331
  C      -7.567959     -1.562095      3.904632
  N      -8.700963     -1.106329      4.407234
  C      -9.682887     -0.767580      3.526687
  N      -9.666992     -0.918662      2.216520
  C      -8.479502     -1.327507      1.676149
  C      -8.331984     -1.450881      0.272410
  C      -7.125024     -1.889265     -0.228254
  C      -6.055554     -2.148582      0.664784
  N      -6.136213     -2.000807      1.980178
  C      -7.339686     -1.622114      2.482449
  H      -5.356888      4.819467      3.511826
  H      -5.969288      3.165248      3.697893
  H      -6.715869      5.291278      5.718319
  H      -7.649760      4.960795      4.234993
  H      -8.597331      3.552198      6.102256
  H      -6.954464      2.896858      6.403104
  H     -12.169533      2.313528      4.276719
  H     -10.963117      1.830973     -0.174085
  H      -8.718137      1.680082     -1.319772
  H      -6.637812      1.927797      0.047564
  H      -1.311186     -0.880469      5.477992
  H      -2.964387     -1.137823      4.876309
  H      -0.538848     -1.942979      3.575301
  H      -1.104408     -0.541097      2.655330
  H      -3.495206     -1.945800      2.894473
  H      -2.299109     -3.272222      2.818790
  H      -4.641256      1.579335      0.976514
  H      -3.997146      0.706396     -3.543619
  H      -2.751544     -1.134665     -4.750349
  H      -1.594431     -2.900486     -3.402949
  H      -6.454734      0.471220      5.858630
  H      -6.181516      0.647855      7.595547
  H      -4.686990     -1.650078      6.387775
  H      -5.661305     -1.596242      7.877873
  H      -7.754724     -1.608573      6.375008
  H      -6.781399     -3.111842      6.402716
  H     -10.583563     -0.312031      3.960111
  H      -9.174793     -1.194032     -0.375011
  H      -6.976707     -2.019503     -1.302663
  H      -5.084349     -2.481783      0.280688
  N      -5.244403      0.925270      3.276972
  H      -4.773380      0.138008      2.788260
  H      -5.582965      1.548148      2.524331
  H      -6.114302      0.552813      3.672693
99
Coordinates from ORCA-job orca E -6478.774836524088
  N      -4.565669      3.667782      5.096398
  Mo     -3.888246      1.788419      4.786013
  N      -4.496635      0.904974      6.414831
  C      -3.624973      1.061285      7.580563
  C      -3.031901      2.465500      7.598846
  N      -2.438389      2.767230      6.269010
  C      -2.384189      4.224985      5.989340
  C      -3.783074      4.749815      5.662880
  C      -1.076903      2.166740      6.103253
  C      -1.008897      1.567224      4.692679
  N      -2.203708      0.748309      4.508978
  H      -3.704157      5.588126      4.946563
  H      -4.266563      5.155426      6.574265
  H      -1.738999      4.354421      5.108658
  H      -1.924689      4.758807      6.838321
  H      -0.088503      0.976354      4.558081
  H      -0.978520      2.386875      3.955801
  H      -0.935980      1.376247      6.852147
  H      -0.303612      2.935380      6.259450
  H      -4.198266      0.907847      8.510072
  H      -2.816636      0.306815      7.565960
  H      -3.834574      3.192153      7.779991
  H      -2.274818      2.571248      8.393997
  C      -5.652468      4.097985      4.232417
  C      -6.926603      4.568456      4.958454
  C      -7.600520      3.369335      5.620991
  O      -7.773421      2.326064      4.611529
  C      -8.903802      2.325896      3.886107
  N     -10.064919      2.409688      4.502120
  C     -11.181706      2.279086      3.741168
  N     -11.251231      2.120591      2.432272
  C     -10.053627      2.075451      1.780166
  C     -10.021171      1.891553      0.376784
  C      -8.802564      1.810631     -0.252791
  C      -7.618506      1.964975      0.507768
  N      -7.599460      2.147921      1.821551
  C      -8.803480      2.176959      2.462667
  C      -2.001366     -0.688584      4.603695
  C      -1.445097     -1.339285      3.302227
  C      -2.495929     -2.186771      2.571569
  O      -2.373418     -2.123949      1.120476
  C      -2.906398     -1.092627      0.481588
  N      -3.514854     -0.115614      1.133881
  C      -4.119326      0.844435      0.388104
  N      -4.177739      0.952004     -0.919175
  C      -3.507234     -0.027287     -1.611864
  C      -3.479817     -0.008512     -3.024671
  C      -2.802832     -1.010739     -3.686115
  C      -2.160954     -2.023423     -2.936070
  N      -2.165541     -2.080314     -1.610576
  C      -2.827368     -1.095408     -0.959424
  C      -5.770286      0.251941      6.672533
  C      -5.673290     -1.284336      6.850712
  C      -6.808155     -2.036363      6.180874
  O      -6.605118     -2.032821      4.737485
  C      -7.588644     -1.619533      3.932562
  N      -8.725870     -1.146312      4.405535
  C      -9.688072     -0.820141      3.502400
  N      -9.649661     -0.982331      2.196628
  C      -8.458151     -1.415985      1.687237
  C      -8.281620     -1.550895      0.288446
  C      -7.067757     -1.996504     -0.185102
  C      -6.021300     -2.260010      0.731043
  N      -6.131415     -2.108318      2.042819
  C      -7.340287     -1.715391      2.516177
  H      -5.327326      4.861508      3.497874
  H      -5.978814      3.220733      3.662973
  H      -6.690086      5.328070      5.719579
  H      -7.616283      5.021495      4.229599
  H      -8.573520      3.597285      6.075435
  H      -6.938250      2.925805      6.375271
  H     -12.129640      2.324578      4.283828
  H     -10.964931      1.778993     -0.157788
  H      -8.732828      1.617594     -1.324127
  H      -6.645469      1.918834      0.008750
  H      -1.317873     -0.908380      5.443832
  H      -2.971298     -1.148324      4.843810
  H      -0.565390     -1.957844      3.529192
  H      -1.108709     -0.540093      2.627867
  H      -3.521281     -1.908351      2.851512
  H      -2.353348     -3.255181      2.771118
  H      -4.647711      1.608740      0.972661
  H      -3.989249      0.799964     -3.550602
  H      -2.753324     -1.032157     -4.775284
  H      -1.619624     -2.821638     -3.451080
  H      -6.467075      0.483628      5.853889
  H      -6.214654      0.686365      7.586916
  H      -4.714491     -1.636696      6.441930
  H      -5.695846     -1.549844      7.918399
  H      -7.786131     -1.594094      6.408969
  H      -6.811809     -3.093475      6.480724
  H     -10.587186     -0.348227      3.912453
  H      -9.105797     -1.285858     -0.375390
  H      -6.894603     -2.129202     -1.253652
  H      -5.046051     -2.595873      0.366455
  N      -5.266278      0.900748      3.316236
  H      -4.804254      0.106157      2.841110
  H      -5.610851      1.509403      2.557313
  H      -6.134272      0.544998      3.726623
99
Coordinates from ORCA-job orca E -6478.781336848259
  N      -4.554686      3.670202      5.066355
  Mo     -3.878475      1.778441      4.814508
  N      -4.501887      0.903008      6.437256
  C      -3.636588      1.061734      7.607899
  C      -3.038458      2.462772      7.618294
  N      -2.434219      2.751653      6.288809
  C      -2.371989      4.206800      5.994462
  C      -3.760958      4.740667      5.646725
  C      -1.073519      2.142427      6.130485
  C      -0.997217      1.556142      4.716641
  N      -2.190363      0.739154      4.516340
  H      -3.658359      5.577058      4.931145
  H      -4.252884      5.157750      6.548478
  H      -1.715359      4.321204      5.120008
  H      -1.913932      4.744222      6.842082
  H      -0.075518      0.966604      4.580831
  H      -0.955554      2.382291      3.986678
  H      -0.945214      1.349446      6.879174
  H      -0.299925      2.908365      6.301358
  H      -4.216583      0.915320      8.534793
  H      -2.831824      0.303380      7.604307
  H      -3.836679      3.197920      7.785709
  H      -2.285311      2.573477      8.416954
  C      -5.632510      4.131365      4.205304
  C      -6.901110      4.596358      4.943361
  C      -7.578663      3.392914      5.591033
  O      -7.753764      2.353470      4.573069
  C      -8.889039      2.347769      3.851730
  N     -10.050346      2.445721      4.466487
  C     -11.168711      2.309070      3.706634
  N     -11.240231      2.127913      2.402141
  C     -10.043786      2.065556      1.749157
  C     -10.014582      1.858077      0.347954
  C      -8.797354      1.764635     -0.282432
  C      -7.611786      1.918622      0.476724
  N      -7.591427      2.117801      1.787584
  C      -8.793859      2.171088      2.427575
  C      -1.990459     -0.698325      4.586256
  C      -1.452243     -1.334770      3.273646
  C      -2.518892     -2.165040      2.548761
  O      -2.408118     -2.095698      1.095124
  C      -2.940604     -1.053093      0.467755
  N      -3.538256     -0.074358      1.131985
  C      -4.130436      0.901442      0.395374
  N      -4.189790      1.021621     -0.911563
  C      -3.536734      0.037849     -1.614624
  C      -3.514281      0.067944     -3.027981
  C      -2.853176     -0.938111     -3.700313
  C      -2.221832     -1.965264     -2.960944
  N      -2.222260     -2.032810     -1.635707
  C      -2.868940     -1.044388     -0.973915
  C      -5.783918      0.258619      6.681726
  C      -5.693582     -1.274887      6.878983
  C      -6.828823     -2.035240      6.221399
  O      -6.618309     -2.052184      4.777599
  C      -7.595458     -1.652442      3.957699
  N      -8.733679     -1.161552      4.410417
  C      -9.682043     -0.836883      3.490799
  N      -9.626476     -1.006104      2.185302
  C      -8.433954     -1.466240      1.697677
  C      -8.238355     -1.615199      0.302148
  C      -7.020229     -2.069778     -0.152200
  C      -5.990339     -2.338782      0.781236
  N      -6.122036     -2.185658      2.091395
  C      -7.333434     -1.776114      2.544549
  H      -5.296513      4.895892      3.477761
  H      -5.975577      3.271800      3.617555
  H      -6.669658      5.343788      5.718272
  H      -7.587036      5.064748      4.220179
  H      -8.550334      3.619679      6.047641
  H      -6.920878      2.935144      6.340371
  H     -12.116064      2.365336      4.250880
  H     -10.961182      1.745648     -0.182537
  H      -8.728436      1.560213     -1.351196
  H      -6.641080      1.862258     -0.026465
  H      -1.302743     -0.930894      5.420292
  H      -2.958828     -1.160868      4.832188
  H      -0.575076     -1.962500      3.484345
  H      -1.114285     -0.529726      2.606211
  H      -3.538202     -1.875780      2.837448
  H      -2.390461     -3.237058      2.741341
  H      -4.643401      1.671561      0.986426
  H      -4.015106      0.887288     -3.545973
  H      -2.808004     -0.952310     -4.790141
  H      -1.693365     -2.766061     -3.486506
  H      -6.469914      0.489723      5.854200
  H      -6.238856      0.707886      7.584629
  H      -4.732871     -1.636155      6.481642
  H      -5.717916     -1.525700      7.950634
  H      -7.809379     -1.592408      6.438724
  H      -6.832433     -3.089026      6.533297
  H     -10.583592     -0.353713      3.887712
  H      -9.051684     -1.346471     -0.373798
  H      -6.829563     -2.206902     -1.217572
  H      -5.011867     -2.679782      0.428929
  N      -5.271669      0.862913      3.358543
  H      -4.814265      0.061962      2.893842
  H      -5.626815      1.459803      2.593540
  H      -6.136750      0.517900      3.786084
99
Coordinates from ORCA-job orca E -6478.786747458566
  N      -4.550049      3.678056      5.033821
  Mo     -3.881048      1.780531      4.835620
  N      -4.516743      0.907241      6.450829
  C      -3.658304      1.062232      7.626611
  C      -3.052694      2.459451      7.632385
  N      -2.440243      2.737366      6.303798
  C      -2.368878      4.189888      6.000834
  C      -3.748004      4.733999      5.635339
  C      -1.083510      2.118709      6.152815
  C      -0.998595      1.550798      4.734011
  N      -2.193308      0.742899      4.513080
  H      -3.622133      5.572145      4.925764
  H      -4.249549      5.156424      6.528955
  H      -1.702046      4.294184      5.133019
  H      -1.913695      4.728631      6.848981
  H      -0.077630      0.960078      4.598728
  H      -0.942436      2.384328      4.013399
  H      -0.971981      1.318520      6.896170
  H      -0.307083      2.877314      6.342822
  H      -4.243289      0.920777      8.551026
  H      -2.858301      0.299349      7.629600
  H      -3.845929      3.202009      7.790078
  H      -2.302304      2.571875      8.433280
  C      -5.617090      4.169621      4.178115
  C      -6.876736      4.627208      4.935333
  C      -7.553736      3.420460      5.577329
  O      -7.735756      2.385103      4.557061
  C      -8.881966      2.371223      3.852105
  N     -10.038222      2.474974      4.476063
  C     -11.161490      2.329201      3.726869
  N     -11.242450      2.132579      2.426592
  C     -10.052039      2.063756      1.763389
  C     -10.034229      1.842205      0.364781
  C      -8.819844      1.747043     -0.273459
  C      -7.630571      1.904703      0.476666
  N      -7.600867      2.112030      1.786330
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  C      -2.518112     -2.157294      2.517192
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  C      -2.936378     -1.053446      0.439201
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  C      -3.499976      0.090901     -3.049283
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  C      -2.199757     -1.937196     -2.991673
  N      -2.206089     -2.014305     -1.668024
  C      -2.859361     -1.034273     -1.001062
  C      -5.802743      0.268064      6.684940
  C      -5.712243     -1.262186      6.894414
  C      -6.845477     -2.028634      6.241484
  O      -6.624622     -2.058170      4.799421
  C      -7.599800     -1.673895      3.968747
  N      -8.739613     -1.179205      4.411902
  C      -9.681298     -0.861087      3.485473
  N      -9.617125     -1.032016      2.181129
  C      -8.424530     -1.502713      1.703748
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  C      -6.999617     -2.111636     -0.135403
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  H      -5.271926      4.939392      3.461341
  H      -5.970600      3.326354      3.570568
  H      -6.645803      5.362384      5.721671
  H      -7.563780      5.109160      4.222080
  H      -8.521248      3.650327      6.040222
  H      -6.895414      2.951976      6.319189
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  H      -6.665613      1.846150     -0.034957
  H      -1.303445     -0.936173      5.389518
  H      -2.958258     -1.165313      4.809050
  H      -0.578967     -1.951409      3.451502
  H      -1.117640     -0.515822      2.579900
  H      -3.539004     -1.866931      2.798163
  H      -2.393250     -3.228478      2.716018
  H      -4.653074      1.657915      0.971454
  H      -4.001999      0.911593     -3.563147
  H      -2.781862     -0.913601     -4.815452
  H      -1.665993     -2.731589     -3.520948
  H      -6.479397      0.495695      5.849822
  H      -6.268891      0.726223      7.577767
  H      -4.749890     -1.627421      6.504869
  H      -5.736217     -1.503950      7.968065
  H      -7.828976     -1.587464      6.448352
  H      -6.848024     -3.079999      6.561031
  H     -10.585359     -0.379575      3.876743
  H      -9.031626     -1.390631     -0.369458
  H      -6.800220     -2.249621     -1.198645
  H      -4.997929     -2.719329      0.457421
  N      -5.288543      0.856452      3.385654
  H      -4.843033      0.052039      2.921227
  H      -5.645786      1.455079      2.622518
  H      -6.151038      0.523105      3.827133
99
Coordinates from ORCA-job orca E -6478.792250987718
  N      -4.537485      3.678880      5.008888
  Mo     -3.871254      1.775515      4.873192
  N      -4.515137      0.906677      6.485193
  C      -3.659290      1.060757      7.663616
  C      -3.048583      2.454888      7.661844
  N      -2.434221      2.722637      6.331054
  C      -2.362313      4.174445      6.021168
  C      -3.735637      4.722363      5.639938
  C      -1.079420      2.096551      6.182111
  C      -0.988902      1.542239      4.758397
  N      -2.186039      0.740026      4.519136
  H      -3.590443      5.565616      4.939457
  H      -4.250971      5.143219      6.526216
  H      -1.687330      4.274310      5.159319
  H      -1.911904      4.715718      6.870479
  H      -0.068259      0.950788      4.622444
  H      -0.921459      2.382667      4.045718
  H      -0.980816      1.289026      6.919943
  H      -0.300224      2.849335      6.388099
  H      -4.246119      0.924909      8.587703
  H      -2.862785      0.294380      7.671236
  H      -3.838409      3.202681      7.812781
  H      -2.298079      2.571564      8.462146
  C      -5.594878      4.200301      4.151200
  C      -6.859877      4.633113      4.912300
  C      -7.540406      3.409922      5.519903
  O      -7.707026      2.389285      4.481592
  C      -8.850741      2.372875      3.772973
  N     -10.008822      2.490803      4.391660
  C     -11.131149      2.342534      3.640073
  N     -11.208577      2.127499      2.342587
  C     -10.015384      2.043506      1.683369
  C      -9.995003      1.804034      0.287583
  C      -8.778293      1.697751     -0.345328
  C      -7.589560      1.855590      0.407762
  N      -7.562485      2.075988      1.715861
  C      -8.763862      2.158498      2.353591
  C      -1.989295     -0.701169      4.539420
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  C      -2.542596     -2.135391      2.491688
  O      -2.435111     -2.064947      1.038926
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  C      -2.921543     -0.835325     -3.735119
  C      -2.294062     -1.880063     -3.016564
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  C      -2.916765     -0.983863     -1.011698
  C      -5.804409      0.270956      6.714872
  C      -5.714895     -1.256923      6.936060
  C      -6.850119     -2.028802      6.293111
  O      -6.628054     -2.068624      4.850734
  C      -7.603579     -1.696832      4.013277
  N      -8.744837     -1.197789      4.447795
  C      -9.681313     -0.882590      3.514119
  N      -9.607524     -1.053226      2.209463
  C      -8.414852     -1.533962      1.741584
  C      -8.203604     -1.694236      0.350121
  C      -6.978931     -2.151709     -0.087070
  C      -5.966384     -2.423946      0.861445
  N      -6.118060     -2.273687      2.170709
  C      -7.331374     -1.851850      2.605250
  H      -5.230992      4.995158      3.470156
  H      -5.939586      3.383900      3.499214
  H      -6.642346      5.346179      5.725099
  H      -7.539972      5.137815      4.205144
  H      -8.512690      3.629386      5.976477
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  H     -10.946014      1.687876     -0.235283
  H      -8.711444      1.477041     -1.411129
  H      -6.624226      1.787452     -0.102325
  H      -1.292311     -0.954958      5.360358
  H      -2.951147     -1.174567      4.796653
  H      -0.591107     -1.945046      3.400281
  H      -1.135673     -0.497274      2.553003
  H      -3.558333     -1.838436      2.783686
  H      -2.425724     -3.208432      2.685872
  H      -4.645215      1.720110      1.001533
  H      -4.064781      0.997923     -3.544170
  H      -2.885232     -0.834289     -4.824723
  H      -1.777887     -2.677469     -3.558916
  H      -6.475548      0.494794      5.874507
  H      -6.277630      0.737556      7.599742
  H      -4.753569     -1.626791      6.548377
  H      -5.733656     -1.489453      8.012168
  H      -7.834486     -1.588209      6.496740
  H      -6.850872     -3.078274      6.619290
  H     -10.588879     -0.404990      3.900503
  H      -9.008660     -1.426457     -0.335654
  H      -6.770968     -2.291674     -1.148699
  H      -4.984685     -2.766655      0.519879
  N      -5.289812      0.831842      3.433614
  H      -4.850336      0.024882      2.970334
  H      -5.654968      1.426574      2.672292
  H      -6.147341      0.504877      3.889306
99
Coordinates from ORCA-job orca E -6478.796925710017
  N      -4.533429      3.669034      4.974824
  Mo     -3.868474      1.767035      4.902958
  N      -4.512228      0.902145      6.517020
  C      -3.655937      1.059085      7.695700
  C      -3.044622      2.453148      7.682455
  N      -2.435648      2.711761      6.346323
  C      -2.370179      4.162959      6.026860
  C      -3.741589      4.706585      5.632491
  C      -1.082146      2.084183      6.196112
  C      -0.987858      1.541379      4.768474
  N      -2.185767      0.742157      4.514819
  H      -3.585765      5.554754      4.941044
  H      -4.271957      5.121744      6.512252
  H      -1.690372      4.261815      5.168601
  H      -1.927098      4.711525      6.875350
  H      -0.066587      0.951096      4.632126
  H      -0.915315      2.386446      4.062504
  H      -0.991216      1.269470      6.926571
  H      -0.302083      2.832417      6.413764
  H      -4.240611      0.928988      8.621734
  H      -2.860687      0.291464      7.705781
  H      -3.834473      3.201519      7.830421
  H      -2.291178      2.577872      8.478710
  C      -5.588057      4.206465      4.119491
  C      -6.855892      4.611704      4.890975
  C      -7.531645      3.380162      5.481979
  O      -7.695049      2.371684      4.434586
  C      -8.846759      2.360913      3.736033
  N      -9.995809      2.505551      4.362224
  C     -11.124605      2.375645      3.618768
  N     -11.214057      2.155487      2.322490
  C     -10.028395      2.044677      1.656116
  C     -10.018810      1.808871      0.261029
  C      -8.807583      1.685038     -0.378778
  C      -7.614481      1.813457      0.367589
  N      -7.576491      2.026829      1.676406
  C      -8.772644      2.135411      2.318978
  C      -1.981144     -0.698958      4.515300
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  C      -2.963612     -1.015259      0.399933
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  C      -4.166863      0.928933      0.376769
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  C      -2.862755     -0.808133     -3.768300
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  C      -6.855812     -2.025364      6.333042
  O      -6.641025     -2.059428      4.889356
  C      -7.622412     -1.689550      4.057256
  N      -8.762902     -1.194352      4.498957
  C      -9.704266     -0.876210      3.570619
  N      -9.634406     -1.036440      2.264601
  C      -8.444654     -1.517069      1.789580
  C      -8.240695     -1.672530      0.396979
  C      -7.016452     -2.123744     -0.048176
  C      -6.000138     -2.399729      0.894055
  N      -6.146828     -2.260847      2.205483
  C      -7.358097     -1.841456      2.647827
  H      -5.215667      5.027395      3.477610
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  H      -6.642774      5.307268      5.718734
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  H      -8.505340      3.594125      5.940744
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  H     -10.971958      1.716019     -0.256831
  H      -8.748182      1.473156     -1.446062
  H      -6.654178      1.730762     -0.148942
  H      -1.276799     -0.953884      5.328662
  H      -2.935006     -1.184678      4.778657
  H      -0.576456     -1.917658      3.363779
  H      -1.139541     -0.472015      2.527354
  H      -3.541066     -1.844954      2.748478
  H      -2.394435     -3.199588      2.660383
  H      -4.680866      1.688791      0.979980
  H      -4.035667      1.005831     -3.574412
  H      -2.812910     -0.798488     -4.859446
  H      -1.694004     -2.633924     -3.593871
  H      -6.470858      0.485516      5.906794
  H      -6.277489      0.735612      7.630210
  H      -4.756845     -1.633804      6.576128
  H      -5.723326     -1.493197      8.047034
  H      -7.837008     -1.582224      6.543717
  H      -6.858226     -3.075507      6.654932
  H     -10.613211     -0.407095      3.964211
  H      -9.049978     -1.406004     -0.283257
  H      -6.812517     -2.257255     -1.111353
  H      -5.019094     -2.737181      0.545632
  N      -5.289212      0.806257      3.469304
  H      -4.853781     -0.001536      3.004134
  H      -5.660196      1.401373      2.710048
  H      -6.140599      0.481013      3.934993
99
Coordinates from ORCA-job orca E -6478.800505249776
  N      -4.514493      3.654890      4.947075
  Mo     -3.855327      1.758552      4.941337
  N      -4.504300      0.897763      6.559371
  C      -3.651108      1.059972      7.741581
  C      -3.039474      2.454092      7.719305
  N      -2.432706      2.702601      6.378540
  C      -2.373321      4.153324      6.049901
  C      -3.742446      4.689471      5.635763
  C      -1.080101      2.072358      6.231385
  C      -0.976607      1.538589      4.799659
  N      -2.178545      0.745930      4.528433
  H      -3.575289      5.543730      4.954354
  H      -4.294533      5.095827      6.506426
  H      -1.685364      4.253241      5.197417
  H      -1.943375      4.710407      6.899718
  H      -0.056082      0.946414      4.668200
  H      -0.895403      2.387161      4.099374
  H      -1.000455      1.249559      6.954157
  H      -0.297747      2.814105      6.462286
  H      -4.236711      0.935884      8.668075
  H      -2.856001      0.291806      7.756733
  H      -3.831088      3.201994      7.863067
  H      -2.285008      2.586950      8.513720
  C      -5.557893      4.202825      4.079728
  C      -6.841741      4.580712      4.834678
  C      -7.523997      3.337485      5.393074
  O      -7.657719      2.348080      4.328964
  C      -8.790955      2.324568      3.605694
  N      -9.958360      2.468836      4.197552
  C     -11.067962      2.321591      3.424663
  N     -11.120805      2.080914      2.130016
  C      -9.914331      1.970580      1.499756
  C      -9.863810      1.715498      0.108798
  C      -8.631286      1.597729     -0.490702
  C      -7.458379      1.746997      0.288610
  N      -7.459319      1.975056      1.596067
  C      -8.675865      2.081367      2.198707
  C      -1.980987     -0.697488      4.508480
  C      -1.484873     -1.279758      3.158171
  C      -2.571074     -2.097985      2.450445
  O      -2.482264     -2.017813      0.999648
  C      -3.016680     -0.948803      0.412718
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  C      -4.125422      1.050315      0.439578
  N      -4.216031      1.213320     -0.860276
  C      -3.640878      0.224488     -1.612511
  C      -3.671218      0.295358     -3.021604
  C      -3.083353     -0.719112     -3.741307
  C      -2.470571     -1.795256     -3.053035
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  C      -2.998712     -0.904168     -1.024770
  C      -5.790100      0.255392      6.795883
  C      -5.691757     -1.270755      7.020912
  C      -6.834591     -2.041304      6.386592
  O      -6.626646     -2.066364      4.942723
  C      -7.619838     -1.701660      4.123142
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  C      -9.713640     -0.900178      3.670519
  N      -9.656298     -1.044836      2.362725
  C      -8.471527     -1.514548      1.868268
  C      -8.285842     -1.656670      0.472517
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  C      -6.035787     -2.376493      0.934373
  N      -6.165750     -2.252565      2.248830
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  H      -5.171668      5.050715      3.484494
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  H      -6.481900      1.668704     -0.195939
  H      -1.267863     -0.967982      5.309799
  H      -2.934185     -1.181152      4.778584
  H      -0.599753     -1.913706      3.320316
  H      -1.166976     -0.450894      2.510177
  H      -3.581985     -1.792993      2.759300
  H      -2.460287     -3.174351      2.643143
  H      -4.574937      1.831075      1.058952
  H      -4.155019      1.150157     -3.498913
  H      -3.081600     -0.705344     -4.829628
  H      -2.000253     -2.603784     -3.616938
  H      -6.459993      0.463603      5.949909
  H      -6.272873      0.726048      7.673041
  H      -4.736478     -1.640344      6.617343
  H      -5.690084     -1.502742      8.097347
  H      -7.817082     -1.602742      6.603846
  H      -6.829669     -3.093332      6.705585
  H     -10.623899     -0.449477      4.079614
  H      -9.105687     -1.390507     -0.195645
  H      -6.874817     -2.219219     -1.059280
  H      -5.057511     -2.706883      0.571225
  N      -5.263868      0.786073      3.499461
  H      -4.828561     -0.021876      3.031339
  H      -5.635768      1.384574      2.741911
  H      -6.113753      0.458319      3.964474
99
Coordinates from ORCA-job orca E -6478.803856109433
  N      -4.497168      3.663481      4.929683
  Mo     -3.860879      1.772317      4.969526
  N      -4.521303      0.906465      6.582987
  C      -3.674136      1.059000      7.770882
  C      -3.048693      2.447648      7.748768
  N      -2.440232      2.691944      6.407400
  C      -2.371935      4.142302      6.080741
  C      -3.735063      4.684740      5.654333
  C      -1.094672      2.051964      6.259299
  C      -0.986266      1.542626      4.819123
  N      -2.193684      0.766723      4.522463
  H      -3.553995      5.552247      4.992386
  H      -4.301777      5.075381      6.521121
  H      -1.675481      4.243020      5.235757
  H      -1.949294      4.696987      6.934991
  H      -0.070999      0.943385      4.688114
  H      -0.890625      2.400998      4.131746
  H      -1.032328      1.213502      6.966099
  H      -0.305320      2.779738      6.511098
  H      -4.264094      0.939688      8.695206
  H      -2.886673      0.283788      7.788695
  H      -3.835345      3.201208      7.891020
  H      -2.293550      2.576132      8.542510
  C      -5.536649      4.233860      4.070525
  C      -6.814008      4.597030      4.845456
  C      -7.497162      3.354877      5.405856
  O      -7.656868      2.373137      4.342085
  C      -8.818524      2.362326      3.658583
  N      -9.965458      2.534702      4.289920
  C     -11.103664      2.409300      3.553450
  N     -11.202216      2.164631      2.261355
  C     -10.017149      2.026822      1.591494
  C     -10.017322      1.772651      0.198405
  C      -8.803817      1.634937     -0.441738
  C      -7.600273      1.759612      0.301141
  N      -7.553273      1.982708      1.610428
  C      -8.751553      2.111323      2.250297
  C      -1.996386     -0.677189      4.479298
  C      -1.487849     -1.248308      3.130484
  C      -2.550554     -2.087219      2.415886
  O      -2.440793     -2.022337      0.967546
  C      -2.993730     -0.975336      0.362479
  N      -3.586644     -0.021080      1.060636
  C      -4.167302      0.984170      0.360115
  N      -4.230828      1.135965     -0.943631
  C      -3.610658      0.161714     -1.682122
  C      -3.614174      0.221974     -3.094169
  C      -2.982078     -0.778797     -3.797952
  C      -2.353157     -1.830542     -3.091096
  N      -2.329785     -1.924900     -1.770476
  C      -2.948323     -0.942078     -1.076002
  C      -5.809691      0.265712      6.805240
  C      -5.718920     -1.259101      7.031208
  C      -6.856048     -2.020441      6.378576
  O      -6.623036     -2.053732      4.936618
  C      -7.596175     -1.696008      4.088368
  N      -8.742290     -1.198411      4.517395
  C      -9.676576     -0.889084      3.579234
  N      -9.595709     -1.055443      2.276766
  C      -8.402646     -1.545581      1.813280
  C      -8.193511     -1.720241      0.425410
  C      -6.967615     -2.183039     -0.004855
  C      -5.957625     -2.455575      0.944810
  N      -6.109601     -2.302754      2.252771
  C      -7.321943     -1.868312      2.682519
  H      -5.144820      5.105069      3.514697
  H      -5.820895      3.486382      3.314611
  H      -6.599785      5.262318      5.696001
  H      -7.498298      5.140405      4.174569
  H      -8.472801      3.568114      5.861116
  H      -6.845869      2.859750      6.138027
  H     -12.040435      2.525566      4.110883
  H     -10.977595      1.681396     -0.321182
  H      -8.751754      1.416064     -1.510463
  H      -6.638182      1.666684     -0.213293
  H      -1.283547     -0.951274      5.279204
  H      -2.946329     -1.169378      4.744400
  H      -0.597310     -1.869827      3.298418
  H      -1.176134     -0.415166      2.486050
  H      -3.568949     -1.796760      2.706734
  H      -2.426000     -3.156730      2.623984
  H      -4.659586      1.751496      0.966009
  H      -4.113065      1.057594     -3.585435
  H      -2.958589     -0.772650     -4.887038
  H      -1.848384     -2.627812     -3.641055
  H      -6.465280      0.472152      5.947152
  H      -6.307653      0.737323      7.674031
  H      -4.761623     -1.635658      6.636855
  H      -5.728981     -1.490132      8.107165
  H      -7.838312     -1.572850      6.579474
  H      -6.862316     -3.071819      6.699447
  H     -10.596374     -0.437024      3.963255
  H      -9.000172     -1.463916     -0.262934
  H      -6.761039     -2.331808     -1.063326
  H      -4.979041     -2.807621      0.609783
  N      -5.262517      0.822461      3.510696
  H      -4.837620      0.021695      3.029897
  H      -5.626106      1.435398      2.766662
  H      -6.112672      0.496471      3.972754
99
Coordinates from ORCA-job orca E -6478.806447506191
  N      -4.489138      3.638001      4.884597
  Mo     -3.869444      1.750320      4.984661
  N      -4.524053      0.903267      6.613305
  C      -3.671426      1.068868      7.796562
  C      -3.043574      2.455754      7.754347
  N      -2.447319      2.682704      6.404289
  C      -2.382352      4.129902      6.059686
  C      -3.744482      4.661453      5.625117
  C      -1.104254      2.039517      6.251770
  C      -0.996975      1.533594      4.810977
  N      -2.207071      0.760721      4.508199
  H      -3.564834      5.534719      4.972129
  H      -4.322697      5.040394      6.489268
  H      -1.684915      4.223371      5.215103
  H      -1.965704      4.697879      6.908378
  H      -0.083212      0.931500      4.680869
  H      -0.898754      2.392100      4.125757
  H      -1.045790      1.196605      6.953016
  H      -0.311668      2.761969      6.506738
  H      -4.257892      0.963979      8.724590
  H      -2.886093      0.291314      7.821599
  H      -3.828788      3.211550      7.893892
  H      -2.281873      2.594400      8.539887
  C      -5.531333      4.205516      4.029916
  C      -6.805367      4.556278      4.813256
  C      -7.475486      3.309991      5.376030
  O      -7.641958      2.336477      4.305468
  C      -8.803999      2.327938      3.625761
  N      -9.939747      2.539627      4.252279
  C     -11.070807      2.440281      3.512160
  N     -11.168460      2.194840      2.219566
  C      -9.991624      2.015822      1.554937
  C      -9.982876      1.766804      0.162613
  C      -8.775623      1.588468     -0.469762
  C      -7.585386      1.666800      0.277687
  N      -7.544116      1.888142      1.586573
  C      -8.737884      2.058908      2.219349
  C      -2.012038     -0.683123      4.452562
  C      -1.505031     -1.239408      3.097168
  C      -2.562601     -2.080867      2.379602
  O      -2.445371     -2.005978      0.932956
  C      -2.994175     -0.950989      0.332811
  N      -3.594818      0.002259      1.036225
  C      -4.158278      1.024071      0.339167
  N      -4.196807      1.193151     -0.967106
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  C      -3.545488      0.296396     -3.124651
  C      -2.904259     -0.703363     -3.833739
  C      -2.295076     -1.772818     -3.129950
  N      -2.298493     -1.884916     -1.806460
  C      -2.925714     -0.902709     -1.106961
  C      -5.811176      0.264965      6.847968
  C      -5.722463     -1.260446      7.077388
  C      -6.872419     -2.021913      6.443666
  O      -6.657778     -2.045170      5.001341
  C      -7.642151     -1.693400      4.166135
  N      -8.787832     -1.207738      4.602472
  C      -9.729013     -0.902763      3.668834
  N      -9.650775     -1.062802      2.364837
  C      -8.457962     -1.540255      1.895799
  C      -8.250687     -1.707112      0.505400
  C      -7.022017     -2.150703      0.067832
  C      -6.007371     -2.415811      1.014649
  N      -6.159162     -2.273928      2.325178
  C      -7.373353     -1.855752      2.760662
  H      -5.143913      5.091021      3.496683
  H      -5.803512      3.469926      3.260682
  H      -6.582930      5.219857      5.663819
  H      -7.499356      5.101582      4.153738
  H      -8.446871      3.519448      5.841508
  H      -6.814605      2.816398      6.101985
  H     -11.999608      2.593322      4.063943
  H     -10.930092      1.714026     -0.362478
  H      -8.717262      1.373735     -1.536884
  H      -6.628192      1.540488     -0.231147
  H      -1.295723     -0.963298      5.246531
  H      -2.961125     -1.177474      4.717972
  H      -0.608444     -1.854278      3.256172
  H      -1.203223     -0.399431      2.457306
  H      -3.582900     -1.794414      2.669365
  H      -2.434798     -3.150845      2.584544
  H      -4.656724      1.791661      0.950444
  H      -4.029546      1.145532     -3.613781
  H      -2.858506     -0.682244     -4.925414
  H      -1.782908     -2.569717     -3.684321
  H      -6.469973      0.466454      5.991236
  H      -6.304957      0.740347      7.715900
  H      -4.774602     -1.639086      6.666005
  H      -5.714945     -1.489844      8.153842
  H      -7.850959     -1.576993      6.661343
  H      -6.874064     -3.074291      6.759932
  H     -10.648524     -0.451567      4.054995
  H      -9.060348     -1.458905     -0.181387
  H      -6.816051     -2.289662     -0.994975
  H      -5.023469     -2.751497      0.674597
  N      -5.265734      0.791377      3.521714
  H      -4.839906     -0.009425      3.037531
  H      -5.634576      1.404343      2.776053
  H      -6.115507      0.459754      3.984873
99
Coordinates from ORCA-job orca E -6478.808967705302
  N      -4.455722      3.623334      4.836927
  Mo     -3.867824      1.731194      5.011430
  N      -4.536019      0.911356      6.652389
  C      -3.688975      1.088581      7.839836
  C      -3.046462      2.468331      7.776497
  N      -2.447186      2.668202      6.421585
  C      -2.368556      4.111537      6.053012
  C      -3.723111      4.645307      5.596717
  C      -1.109408      2.007674      6.276541
  C      -0.997441      1.503673      4.834750
  N      -2.214507      0.742856      4.516467
  H      -3.531444      5.523043      4.951583
  H      -4.317916      5.019419      6.452872
  H      -1.660732      4.187694      5.213475
  H      -1.958043      4.691578      6.897034
  H      -0.089577      0.890589      4.711992
  H      -0.883911      2.362394      4.152058
  H      -1.067871      1.160190      6.974498
  H      -0.308718      2.718162      6.540943
  H      -4.282724      1.006282      8.766196
  H      -2.911803      0.302457      7.884664
  H      -3.825770      3.234454      7.902024
  H      -2.283783      2.613317      8.560588
  C      -5.491883      4.199805      3.975930
  C      -6.773334      4.558348      4.748945
  C      -7.451794      3.326022      5.326863
  O      -7.608008      2.345526      4.266425
  C      -8.769485      2.319392      3.587551
  N      -9.906461      2.539321      4.205011
  C     -11.042148      2.420179      3.464451
  N     -11.143703      2.146170      2.178474
  C      -9.964685      1.961061      1.520974
  C      -9.957013      1.691764      0.131318
  C      -8.746952      1.520616     -0.496547
  C      -7.551559      1.620912      0.253408
  N      -7.512170      1.857828      1.558190
  C      -8.706088      2.024874      2.186680
  C      -2.026583     -0.702476      4.444364
  C      -1.525636     -1.234024      3.076615
  C      -2.580194     -2.071442      2.348477
  O      -2.471099     -1.977734      0.901066
  C      -3.013888     -0.912235      0.316360
  N      -3.599362      0.032210      1.032806
  C      -4.144954      1.069285      0.348819
  N      -4.178789      1.261059     -0.955163
  C      -3.572221      0.292652     -1.709378
  C      -3.547764      0.393786     -3.122039
  C      -2.929117     -0.600094     -3.845246
  C      -2.341190     -1.686619     -3.157609
  N      -2.343611     -1.820174     -1.835339
  C      -2.949340     -0.843109     -1.122315
  C      -5.824240      0.270818      6.883189
  C      -5.736066     -1.253349      7.124495
  C      -6.883750     -2.013912      6.485874
  O      -6.664543     -2.037115      5.042422
  C      -7.653793     -1.695481      4.208740
  N      -8.803054     -1.222118      4.649482
  C      -9.753410     -0.929552      3.718855
  N      -9.677688     -1.091223      2.413350
  C      -8.482012     -1.558025      1.939657
  C      -8.280072     -1.733546      0.549202
  C      -7.049578     -2.165826      0.106359
  C      -6.026436     -2.413570      1.047418
  N      -6.174012     -2.266687      2.358261
  C      -7.390212     -1.858615      2.800025
  H      -5.093515      5.091145      3.460080
  H      -5.758960      3.474721      3.196703
  H      -6.546015      5.233274      5.587615
  H      -7.467286      5.095759      4.086068
  H      -8.428000      3.539404      5.778101
  H      -6.799980      2.848381      6.065186
  H     -11.973296      2.578275      4.010629
  H     -10.907757      1.623138     -0.396854
  H      -8.689876      1.299031     -1.562178
  H      -6.588488      1.501721     -0.249424
  H      -1.309203     -0.994058      5.233852
  H      -2.975531     -1.200289      4.704728
  H      -0.622972     -1.845781      3.218386
  H      -1.236299     -0.379271      2.450649
  H      -3.599544     -1.795824      2.641664
  H      -2.445202     -3.140818      2.543573
  H      -4.629423      1.831217      0.968698
  H      -4.014972      1.255067     -3.598331
  H      -2.884948     -0.561697     -4.936630
  H      -1.847671     -2.479769     -3.723983
  H      -6.473480      0.459218      6.015317
  H      -6.329697      0.754988      7.740807
  H      -4.787061     -1.634334      6.715727
  H      -5.731670     -1.479190      8.202728
  H      -7.861700     -1.564171      6.698790
  H      -6.890205     -3.066371      6.802581
  H     -10.678973     -0.494437      4.110811
  H      -9.096504     -1.503326     -0.132451
  H      -6.847915     -2.309703     -0.956913
  H      -5.040277     -2.740256      0.701805
  N      -5.254581      0.764041      3.542812
  H      -4.826718     -0.039096      3.060026
  H      -5.623318      1.373676      2.791746
  H      -6.106695      0.432150      4.003872
99
Coordinates from ORCA-job orca E -6478.810763556903
  N      -4.429708      3.626863      4.820242
  Mo     -3.873789      1.735823      5.033342
  N      -4.547319      0.920933      6.676441
  C      -3.705209      1.094823      7.866405
  C      -3.050208      2.468152      7.801464
  N      -2.452631      2.662474      6.446827
  C      -2.365054      4.103320      6.077979
  C      -3.715318      4.638064      5.612534
  C      -1.121765      1.993102      6.300276
  C      -1.002684      1.506903      4.853487
  N      -2.222909      0.760632      4.515480
  H      -3.519937      5.530347      4.990136
  H      -4.324175      4.988412      6.467227
  H      -1.651490      4.176878      5.245702
  H      -1.960971      4.682856      6.924696
  H      -0.100339      0.886055      4.733493
  H      -0.875871      2.370496      4.179593
  H      -1.094445      1.134614      6.984949
  H      -0.315770      2.691103      6.581853
  H      -4.304045      1.020182      8.789689
  H      -2.935859      0.303069      7.918318
  H      -3.822813      3.239092      7.926475
  H      -2.285563      2.608495      8.583555
  C      -5.459804      4.211191      3.959795
  C      -6.743718      4.564374      4.727632
  C      -7.421727      3.324849      5.295528
  O      -7.573059      2.354897      4.222620
  C      -8.736307      2.312223      3.549249
  N      -9.886388      2.511949      4.171105
  C     -11.024139      2.370797      3.433107
  N     -11.119825      2.086146      2.150004
  C      -9.930857      1.919921      1.488193
  C      -9.923930      1.641858      0.100282
  C      -8.704806      1.494701     -0.531539
  C      -7.502464      1.626156      0.213475
  N      -7.462732      1.869706      1.517859
  C      -8.665564      2.012818      2.148142
  C      -2.049279     -0.686005      4.426631
  C      -1.541649     -1.210697      3.059702
  C      -2.597998     -2.048731      2.337918
  O      -2.481737     -1.969353      0.891750
  C      -3.011474     -0.895678      0.306016
  N      -3.576628      0.063537      1.025623
  C      -4.109857      1.113983      0.348845
  N      -4.153577      1.304262     -0.951619
  C      -3.573082      0.317335     -1.710832
  C      -3.566654      0.412595     -3.121383
  C      -2.976595     -0.601508     -3.848548
  C      -2.399454     -1.701074     -3.166811
  N      -2.385181     -1.828997     -1.847831
  C      -2.962573     -0.833057     -1.131243
  C      -5.830250      0.271952      6.897811
  C      -5.726141     -1.250459      7.131154
  C      -6.869329     -2.018575      6.493470
  O      -6.654804     -2.028587      5.052110
  C      -7.657944     -1.701161      4.228278
  N      -8.807909     -1.250390      4.681555
  C      -9.768546     -0.969163      3.763549
  N      -9.702447     -1.120754      2.458028
  C      -8.508602     -1.567135      1.971737
  C      -8.319931     -1.736132      0.579540
  C      -7.090495     -2.155155      0.122134
  C      -6.057447     -2.392386      1.052147
  N      -6.192947     -2.248783      2.364363
  C      -7.406968     -1.856548      2.819031
  H      -5.058951      5.114283      3.464821
  H      -5.716323      3.498029      3.165012
  H      -6.521199      5.238144      5.569535
  H      -7.433068      5.105052      4.061276
  H      -8.397823      3.537774      5.746293
  H      -6.773262      2.835123      6.033536
  H     -11.966317      2.509561      3.982114
  H     -10.881532      1.548167     -0.424950
  H      -8.647698      1.268740     -1.595859
  H      -6.535275      1.526419     -0.292498
  H      -1.341717     -0.994666      5.217893
  H      -3.006319     -1.174932      4.674017
  H      -0.637746     -1.818713      3.200512
  H      -1.254906     -0.355569      2.433604
  H      -3.617013     -1.758110      2.627963
  H      -2.476587     -3.119938      2.542057
  H      -4.572076      1.889517      0.971565
  H      -4.025179      1.284351     -3.592966
  H      -2.947987     -0.569359     -4.937540
  H      -1.929418     -2.510108     -3.735797
  H      -6.473829      0.456638      6.025917
  H      -6.345366      0.746942      7.752515
  H      -4.775880     -1.617625      6.715497
  H      -5.713662     -1.482586      8.205547
  H      -7.852332     -1.582412      6.711310
  H      -6.863469     -3.072245      6.802884
  H     -10.695673     -0.565359      4.166619
  H      -9.145132     -1.513169     -0.094246
  H      -6.898515     -2.295976     -0.942281
  H      -5.072738     -2.709393      0.695963
  N      -5.252248      0.785834      3.545271
  H      -4.824182     -0.005745      3.051207
  H      -5.622085      1.403400      2.805763
  H      -6.104934      0.443461      3.995399
99
Coordinates from ORCA-job orca E -6478.812643310837
  N      -4.404651      3.629419      4.812839
  Mo     -3.877786      1.736210      5.055170
  N      -4.560331      0.927714      6.699767
  C      -3.727816      1.103327      7.895745
  C      -3.061474      2.471536      7.829337
  N      -2.461280      2.662380      6.476111
  C      -2.365830      4.101666      6.105387
  C      -3.711831      4.633175      5.632436
  C      -1.134001      1.988114      6.329717
  C      -1.002881      1.519767      4.878492
  N      -2.222369      0.781600      4.519973
  H      -3.520135      5.540785      5.032078
  H      -4.333450      4.956177      6.488052
  H      -1.646262      4.172339      5.279975
  H      -1.969280      4.682682      6.954428
  H      -0.103326      0.894142      4.762533
  H      -0.865294      2.389030      4.213157
  H      -1.117754      1.118910      7.001522
  H      -0.325722      2.677119      6.629610
  H      -4.336806      1.039029      8.813425
  H      -2.965500      0.306444      7.961427
  H      -3.829579      3.246445      7.951188
  H      -2.297335      2.608616      8.612449
  C      -5.437435      4.217237      3.959501
  C      -6.722681      4.573291      4.728855
  C      -7.416620      3.343831      5.308575
  O      -7.592657      2.371545      4.237415
  C      -8.758277      2.347405      3.572582
  N      -9.896756      2.588642      4.190544
  C     -11.030400      2.480001      3.450404
  N     -11.130269      2.193468      2.169165
  C      -9.951751      1.981351      1.512136
  C      -9.946150      1.697522      0.125114
  C      -8.737310      1.500722     -0.502329
  C      -7.541963      1.591086      0.247483
  N      -7.501023      1.843089      1.550151
  C      -8.695065      2.032473      2.174657
  C      -2.049450     -0.666181      4.408368
  C      -1.543333     -1.175023      3.033599
  C      -2.595030     -2.024964      2.318324
  O      -2.490095     -1.955000      0.870396
  C      -3.024565     -0.886789      0.282159
  N      -3.583543      0.074108      0.998120
  C      -4.119104      1.120126      0.320122
  N      -4.173500      1.303800     -0.977162
  C      -3.603259      0.312392     -1.732652
  C      -3.612595      0.398028     -3.140051
  C      -3.034387     -0.621138     -3.863740
  C      -2.453046     -1.715412     -3.181406
  N      -2.423734     -1.834221     -1.865486
  C      -2.990018     -0.833554     -1.152982
  C      -5.842539      0.271706      6.903273
  C      -5.740200     -1.249611      7.140871
  C      -6.875063     -2.017416      6.490632
  O      -6.637449     -2.047518      5.048464
  C      -7.625011     -1.734203      4.199172
  N      -8.780049     -1.256954      4.625564
  C      -9.724005     -0.978770      3.686978
  N      -9.643352     -1.155742      2.385483
  C      -8.443210     -1.632408      1.925202
  C      -8.238390     -1.828773      0.538967
  C      -7.006214     -2.274818      0.108718
  C      -5.983706     -2.508944      1.057649
  N      -6.133812     -2.339185      2.364005
  C      -7.352263     -1.922139      2.793415
  H      -5.040326      5.129144      3.475847
  H      -5.692485      3.512357      3.155540
  H      -6.489235      5.256751      5.562309
  H      -7.412705      5.113407      4.059647
  H      -8.389338      3.576504      5.758547
  H      -6.776561      2.843684      6.051607
  H     -11.962706      2.656857      3.994659
  H     -10.897521      1.637243     -0.403824
  H      -8.683624      1.266028     -1.567026
  H      -6.581749      1.452141     -0.252173
  H      -1.342792     -0.985579      5.196087
  H      -3.006826     -1.157464      4.648488
  H      -0.629737     -1.771970      3.162512
  H      -1.275224     -0.311716      2.411300
  H      -3.615819     -1.743806      2.613403
  H      -2.461643     -3.093867      2.525947
  H      -4.575023      1.896519      0.939420
  H      -4.074422      1.266078     -3.612534
  H      -3.018649     -0.597007     -4.949917
  H      -1.992494     -2.528011     -3.747927
  H      -6.471137      0.453114      6.019467
  H      -6.374180      0.746225      7.748704
  H      -4.784514     -1.619064      6.736144
  H      -5.741506     -1.478584      8.216521
  H      -7.859098     -1.572081      6.689472
  H      -6.879665     -3.069080      6.811248
  H     -10.655123     -0.543839      4.070468
  H      -9.056168     -1.602668     -0.152416
  H      -6.803528     -2.436813     -0.948869
  H      -4.998041     -2.843372      0.721492
  N      -5.236356      0.799681      3.544041
  H      -4.798141      0.021767      3.041283
  H      -5.609589      1.420505      2.812373
  H      -6.087233      0.440374      3.979776
99
Coordinates from ORCA-job orca E -6478.814396057906
  N      -4.372616      3.610502      4.752831
  Mo     -3.889971      1.707412      5.047337
  N      -4.574990      0.944838      6.714261
  C      -3.741302      1.136976      7.906672
  C      -3.056695      2.494678      7.810652
  N      -2.460411      2.652858      6.451499
  C      -2.347590      4.085407      6.051253
  C      -3.688555      4.617557      5.572243
  C      -1.142090      1.958367      6.312267
  C      -1.011511      1.476567      4.868608
  N      -2.237990      0.752189      4.509270
  H      -3.500378      5.528337      4.974458
  H      -4.314169      4.934779      6.429402
  H      -1.625700      4.131398      5.224418
  H      -1.947988      4.681142      6.888900
  H      -0.120666      0.836556      4.764056
  H      -0.859815      2.336479      4.195632
  H      -1.139653      1.092359      6.988987
  H      -0.324827      2.636022      6.611024
  H      -4.354043      1.103571      8.823822
  H      -2.990412      0.330182      7.994806
  H      -3.814768      3.282834      7.921937
  H      -2.287388      2.635739      8.587939
  C      -5.412809      4.187606      3.905040
  C      -6.694027      4.565940      4.674935
  C      -7.385758      3.358932      5.293540
  O      -7.573130      2.367222      4.244201
  C      -8.752015      2.325745      3.603246
  N      -9.874114      2.580886      4.236107
  C     -11.024851      2.457076      3.519052
  N     -11.155706      2.147780      2.244229
  C      -9.992277      1.923745      1.569254
  C     -10.014985      1.628314      0.183154
  C      -8.819682      1.432843     -0.467894
  C      -7.610093      1.528538      0.259564
  N      -7.543009      1.791374      1.559781
  C      -8.721475      1.985518      2.207566
  C      -2.080349     -0.697416      4.393159
  C      -1.571604     -1.194408      3.014528
  C      -2.614579     -2.041352      2.278295
  O      -2.485885     -1.953208      0.831939
  C      -3.005528     -0.878231      0.241700
  N      -3.607353      0.064043      0.952216
  C      -4.105944      1.124525      0.265698
  N      -4.078563      1.342588     -1.034973
  C      -3.462308      0.370774     -1.783412
  C      -3.376413      0.496198     -3.193603
  C      -2.751540     -0.502276     -3.911047
  C      -2.219217     -1.616178     -3.220428
  N      -2.278033     -1.771702     -1.901058
  C      -2.890136     -0.790921     -1.194325
  C      -5.854407      0.285233      6.923994
  C      -5.750951     -1.236107      7.171019
  C      -6.895592     -2.005081      6.538252
  O      -6.681789     -2.022281      5.092337
  C      -7.690324     -1.719958      4.264760
  N      -8.848012     -1.273678      4.713867
  C      -9.814670     -1.010350      3.793504
  N      -9.751763     -1.180230      2.489109
  C      -8.550179     -1.625617      2.006139
  C      -8.365378     -1.820497      0.616825
  C      -7.129756     -2.227627      0.160605
  C      -6.083862     -2.429184      1.088999
  N      -6.217055     -2.269121      2.399281
  C      -7.437921     -1.888771      2.853194
  H      -5.020390      5.093082      3.405923
  H      -5.677452      3.473949      3.113408
  H      -6.448312      5.275852      5.481106
  H      -7.390983      5.084832      3.998041
  H      -8.355783      3.602575      5.743779
  H      -6.745014      2.876694      6.042772
  H     -11.942267      2.649133      4.076261
  H     -10.976055      1.565620     -0.327619
  H      -8.787349      1.199783     -1.534314
  H      -6.658265      1.391822     -0.257614
  H      -1.381759     -1.030183      5.182968
  H      -3.045060     -1.179536      4.622706
  H      -0.653522     -1.788262      3.138661
  H      -1.308759     -0.319842      2.404371
  H      -3.641195     -1.768177      2.557876
  H      -2.478222     -3.112135      2.478140
  H      -4.601167      1.883501      0.881996
  H      -3.803290      1.378427     -3.672424
  H      -2.660902     -0.446235     -4.999524
  H      -1.722966     -2.413076     -3.782113
  H      -6.481763      0.458805      6.037556
  H      -6.386897      0.765456      7.766482
  H      -4.801434     -1.606293      6.753900
  H      -5.739167     -1.461887      8.248893
  H      -7.875564     -1.562256      6.755650
  H      -6.895726     -3.058687      6.853159
  H     -10.747156     -0.596847      4.196351
  H      -9.200923     -1.627110     -0.054980
  H      -6.941170     -2.384661     -0.901464
  H      -5.094434     -2.731325      0.731309
  N      -5.242770      0.761880      3.534871
  H      -4.795054     -0.016890      3.034351
  H      -5.621425      1.375714      2.794949
  H      -6.094369      0.391979      3.966643
99
Coordinates from ORCA-job orca E -6478.815955907420
  N      -4.344529      3.617289      4.737278
  Mo     -3.895861      1.710656      5.062595
  N      -4.588922      0.960416      6.731659
  C      -3.763951      1.151840      7.929949
  C      -3.066055      2.502510      7.831156
  N      -2.466610      2.653332      6.472600
  C      -2.343005      4.083468      6.069446
  C      -3.679751      4.615840      5.582297
  C      -1.153280      1.949573      6.337467
  C      -1.012927      1.480059      4.890175
  N      -2.241731      0.766632      4.515121
  H      -3.491801      5.538616      5.002880
  H      -4.317439      4.912876      6.438077
  H      -1.616045      4.123757      5.246911
  H      -1.946138      4.679754      6.908254
  H      -0.126536      0.832859      4.790046
  H      -0.847656      2.342835      4.223517
  H      -1.164534      1.076565      7.005369
  H      -0.332885      2.617096      6.652301
  H      -4.385945      1.130958      8.841623
  H      -3.021869      0.338141      8.032258
  H      -3.816714      3.297905      7.940692
  H      -2.296308      2.637812      8.609318
  C      -5.382108      4.198151      3.889246
  C      -6.666947      4.573983      4.652827
  C      -7.355325      3.367167      5.271566
  O      -7.537509      2.373280      4.222336
  C      -8.718236      2.321532      3.586377
  N      -9.840872      2.577042      4.224801
  C     -10.995535      2.449532      3.515809
  N     -11.130272      2.134415      2.243805
  C      -9.966728      1.909432      1.562512
  C      -9.994537      1.612495      0.179289
  C      -8.800562      1.418026     -0.478188
  C      -7.587104      1.514934      0.240810
  N      -7.515639      1.779441      1.538373
  C      -8.692370      1.974303      2.191942
  C      -2.092357     -0.682503      4.386886
  C      -1.579942     -1.164776      3.005238
  C      -2.609345     -2.027412      2.275522
  O      -2.484971     -1.942106      0.828773
  C      -3.005054     -0.865872      0.239936
  N      -3.601677      0.079153      0.950741
  C      -4.099325      1.141357      0.266307
  N      -4.078156      1.356555     -1.032427
  C      -3.472699      0.379330     -1.781457
  C      -3.398631      0.499577     -3.189758
  C      -2.785780     -0.504738     -3.908006
  C      -2.253003     -1.619343     -3.220009
  N      -2.300701     -1.770031     -1.902311
  C      -2.900777     -0.783117     -1.194784
  C      -5.862473      0.282729      6.924096
  C      -5.742055     -1.237928      7.160529
  C      -6.882509     -2.014091      6.528676
  O      -6.676017     -2.019266      5.083261
  C      -7.695553     -1.730981      4.264967
  N      -8.854602     -1.303985      4.722931
  C      -9.830647     -1.050174      3.810693
  N      -9.774209     -1.212901      2.504594
  C      -8.573259     -1.643621      2.013479
  C      -8.398060     -1.836843      0.622087
  C      -7.164611     -2.233931      0.155970
  C      -6.110787     -2.425325      1.077326
  N      -6.234000     -2.265747      2.389093
  C      -7.453011     -1.895955      2.852696
  H      -4.989980      5.106530      3.394931
  H      -5.643172      3.490531      3.092310
  H      -6.430485      5.290654      5.455635
  H      -7.360740      5.084957      3.967369
  H      -8.326743      3.608735      5.718822
  H      -6.717987      2.886069      6.023279
  H     -11.913760      2.640533      4.079905
  H     -10.958602      1.549150     -0.324819
  H      -8.773084      1.186045     -1.542315
  H      -6.636625      1.376411     -0.281777
  H      -1.401679     -1.027129      5.177416
  H      -3.060801     -1.161697      4.606678
  H      -0.650742     -1.739478      3.120354
  H      -1.340386     -0.283802      2.396823
  H      -3.636935     -1.767192      2.556532
  H      -2.459266     -3.092982      2.479027
  H      -4.585179      1.905804      0.882916
  H      -3.825682      1.382149     -3.666661
  H      -2.705007     -0.453040     -4.995326
  H      -1.766098     -2.420881     -3.782683
  H      -6.482643      0.454741      6.032045
  H      -6.408682      0.750608      7.764023
  H      -4.790175     -1.594461      6.737705
  H      -5.723382     -1.470251      8.235827
  H      -7.866195     -1.583144      6.752686
  H      -6.871780     -3.068797      6.835993
  H     -10.763923     -0.657041      4.220961
  H      -9.240093     -1.652631     -0.043518
  H      -6.983416     -2.391869     -0.908429
  H      -5.123795     -2.723214      0.711684
  N      -5.239850      0.770662      3.537730
  H      -4.780893      0.007474      3.023957
  H      -5.631498      1.388856      2.807651
  H      -6.085410      0.378259      3.962415
99
Coordinates from ORCA-job orca E -6478.817225696713
  N      -4.307999      3.627619      4.727373
  Mo     -3.901961      1.714293      5.073994
  N      -4.602666      0.979864      6.746146
  C      -3.785772      1.164868      7.949088
  C      -3.067597      2.504295      7.847829
  N      -2.465909      2.646685      6.490348
  C      -2.325734      4.074673      6.087218
  C      -3.657358      4.614792      5.594677
  C      -1.161425      1.927945      6.360528
  C      -1.013666      1.467287      4.911574
  N      -2.248140      0.773633      4.522775
  H      -3.467025      5.548016      5.032458
  H      -4.304076      4.895737      6.449200
  H      -1.595561      4.107858      5.267517
  H      -1.927061      4.667925      6.927098
  H      -0.135734      0.808268      4.816816
  H      -0.830765      2.330595      4.250103
  H      -1.191068      1.049391      7.020501
  H      -0.335269      2.581137      6.690198
  H      -4.416324      1.159860      8.855159
  H      -3.057779      0.340336      8.064513
  H      -3.805791      3.310746      7.958851
  H      -2.296062      2.627705      8.625802
  C      -5.342767      4.214112      3.879467
  C      -6.630476      4.598451      4.632517
  C      -7.331659      3.399391      5.250990
  O      -7.521763      2.402342      4.203772
  C      -8.703427      2.342236      3.569695
  N      -9.828230      2.607551      4.201110
  C     -10.982367      2.465403      3.491653
  N     -11.115440      2.123374      2.225753
  C      -9.950198      1.885580      1.551708
  C      -9.978435      1.556971      0.173608
  C      -8.783024      1.349849     -0.478132
  C      -7.568519      1.465517      0.242158
  N      -7.496603      1.759961      1.535937
  C      -8.675414      1.967366      2.183049
  C      -2.121293     -0.676914      4.376663
  C      -1.612363     -1.148998      2.990028
  C      -2.646901     -2.010894      2.263875
  O      -2.523103     -1.928364      0.817719
  C      -3.030690     -0.843381      0.232398
  N      -3.618022      0.105565      0.946780
  C      -4.100530      1.180891      0.269158
  N      -4.074350      1.403561     -1.026553
  C      -3.480880      0.421260     -1.780642
  C      -3.402502      0.549737     -3.186618
  C      -2.800878     -0.459822     -3.909455
  C      -2.284159     -1.588259     -3.227990
  N      -2.336112     -1.746477     -1.912976
  C      -2.924491     -0.754491     -1.200676
  C      -5.870749      0.290506      6.928171
  C      -5.733709     -1.228340      7.159652
  C      -6.867154     -2.010679      6.526336
  O      -6.656431     -2.013507      5.081407
  C      -7.680857     -1.740348      4.263886
  N      -8.840686     -1.319177      4.727466
  C      -9.824573     -1.079722      3.821335
  N      -9.777394     -1.255468      2.517983
  C      -8.577265     -1.684984      2.021027
  C      -8.415543     -1.899617      0.633045
  C      -7.183020     -2.296185      0.161553
  C      -6.117829     -2.463619      1.073223
  N      -6.228708     -2.284927      2.381766
  C      -7.446623     -1.917109      2.851685
  H      -4.945077      5.121892      3.387324
  H      -5.603882      3.508239      3.079305
  H      -6.402468      5.320845      5.432517
  H      -7.314028      5.106492      3.933409
  H      -8.301676      3.654880      5.694875
  H      -6.701793      2.909065      6.005990
  H     -11.901435      2.666972      4.049920
  H     -10.944514      1.478547     -0.331671
  H      -8.755734      1.094554     -1.539741
  H      -6.618885      1.313570     -0.276286
  H      -1.442821     -1.046807      5.167035
  H      -3.100359     -1.140678      4.583798
  H      -0.678676     -1.719074      3.094927
  H      -1.383521     -0.261761      2.385526
  H      -3.674507     -1.742620      2.546530
  H      -2.503931     -3.079595      2.468466
  H      -4.572571      1.951260      0.889387
  H      -3.817240      1.442525     -3.658171
  H      -2.717075     -0.402408     -4.995034
  H      -1.806831     -2.394591     -3.794369
  H      -6.486254      0.460588      6.032760
  H      -6.427112      0.749866      7.766188
  H      -4.778755     -1.574299      6.734138
  H      -5.711198     -1.463622      8.234011
  H      -7.854209     -1.584796      6.748188
  H      -6.850684     -3.065543      6.833901
  H     -10.758509     -0.690760      4.237144
  H      -9.268040     -1.734299     -0.024067
  H      -7.012158     -2.472526     -0.899534
  H      -5.132525     -2.761835      0.703449
  N      -5.241852      0.783537      3.540113
  H      -4.773594      0.038628      3.009809
  H      -5.646724      1.407717      2.824394
  H      -6.078613      0.367312      3.959162
99
Coordinates from ORCA-job orca E -6478.818421462144
  N      -4.276736      3.636612      4.710127
  Mo     -3.904573      1.717225      5.075409
  N      -4.615253      0.997968      6.748848
  C      -3.809812      1.180731      7.958813
  C      -3.077571      2.512346      7.856945
  N      -2.470442      2.648849      6.501624
  C      -2.319892      4.075612      6.098161
  C      -3.646561      4.616477      5.597209
  C      -1.170339      1.922112      6.380659
  C      -1.009138      1.468449      4.931313
  N      -2.244566      0.786738      4.527275
  H      -3.457675      5.558812      5.050261
  H      -4.304252      4.880628      6.448951
  H      -1.585646      4.104294      5.282237
  H      -1.923505      4.668157      6.939592
  H      -0.135782      0.802243      4.844013
  H      -0.811401      2.332168      4.274845
  H      -1.214852      1.039380      7.033829
  H      -0.343309      2.566317      6.726047
  H      -4.451012      1.190212      8.857524
  H      -3.093177      0.348395      8.089731
  H      -3.807092      3.326498      7.967280
  H      -2.306947      2.627799      8.637269
  C      -5.311396      4.223891      3.863357
  C      -6.600915      4.609374      4.614236
  C      -7.304644      3.417039      5.240505
  O      -7.501739      2.412527      4.201585
  C      -8.690334      2.345520      3.580878
  N      -9.808423      2.616273      4.223094
  C     -10.970291      2.471377      3.528635
  N     -11.116352      2.121997      2.266746
  C      -9.957896      1.877612      1.581786
  C      -9.998940      1.547430      0.206594
  C      -8.809838      1.338426     -0.456905
  C      -7.589261      1.448680      0.249914
  N      -7.505290      1.745024      1.540601
  C      -8.677304      1.958962      2.198539
  C      -2.127782     -0.663377      4.369773
  C      -1.618563     -1.124531      2.979757
  C      -2.641328     -2.005042      2.260059
  O      -2.520501     -1.926891      0.813470
  C      -3.029021     -0.844460      0.225191
  N      -3.623133      0.101990      0.934615
  C      -4.099968      1.177506      0.253693
  N      -4.064052      1.400301     -1.041055
  C      -3.465384      0.419580     -1.790662
  C      -3.375441      0.549170     -3.195166
  C      -2.767270     -0.458175     -3.912992
  C      -2.255814     -1.586229     -3.228071
  N      -2.318685     -1.745538     -1.914263
  C      -2.913005     -0.755205     -1.206497
  C      -5.877133      0.291269      6.916489
  C      -5.727902     -1.226953      7.142165
  C      -6.863295     -2.014580      6.518217
  O      -6.665966     -2.012348      5.070529
  C      -7.699434     -1.755617      4.257928
  N      -8.863036     -1.347104      4.725304
  C      -9.852472     -1.114949      3.821743
  N      -9.807441     -1.287368      2.516845
  C      -8.604627     -1.707411      2.016735
  C      -8.446688     -1.922455      0.626543
  C      -7.212065     -2.307555      0.150904
  C      -6.141041     -2.464828      1.060827
  N      -6.248354     -2.287358      2.371521
  C      -7.468219     -1.929611      2.845403
  H      -4.913423      5.131495      3.371085
  H      -5.571515      3.519881      3.061365
  H      -6.378881      5.339060      5.409755
  H      -7.282620      5.109939      3.907105
  H      -8.273072      3.678451      5.684611
  H      -6.675295      2.928208      5.997147
  H     -11.882865      2.678480      4.096623
  H     -10.968906      1.473770     -0.287422
  H      -8.792347      1.087777     -1.517628
  H      -6.644617      1.293099     -0.278087
  H      -1.458689     -1.047210      5.160873
  H      -3.111643     -1.120856      4.567731
  H      -0.672199     -1.674723      3.075078
  H      -1.415945     -0.230812      2.376103
  H      -3.672336     -1.750304      2.542470
  H      -2.483081     -3.070022      2.469600
  H      -4.575736      1.946936      0.870466
  H      -3.786824      1.441432     -3.669505
  H      -2.674057     -0.399680     -4.997401
  H      -1.773861     -2.391098     -3.790645
  H      -6.488335      0.461950      6.018293
  H      -6.443602      0.740409      7.753439
  H      -4.774816     -1.566014      6.707507
  H      -5.693990     -1.463672      8.216457
  H      -7.849759     -1.594725      6.751164
  H      -6.838678     -3.070430      6.822887
  H     -10.789397     -0.734059      4.240320
  H      -9.305220     -1.765999     -0.029029
  H      -7.043925     -2.483551     -0.912917
  H      -5.154476     -2.754695      0.687132
  N      -5.231038      0.784914      3.530845
  H      -4.743795      0.062579      2.984394
  H      -5.654517      1.411563      2.827355
  H      -6.053890      0.336664      3.942981
99
Coordinates from ORCA-job orca E -6478.819504892543
  N      -4.248265      3.649390      4.703501
  Mo     -3.903563      1.725954      5.080006
  N      -4.628874      1.013287      6.749872
  C      -3.836652      1.189859      7.969104
  C      -3.092397      2.515136      7.874168
  N      -2.476368      2.650105      6.522532
  C      -2.315794      4.077315      6.123350
  C      -3.636442      4.621769      5.610522
  C      -1.179637      1.915846      6.411993
  C      -1.003453      1.471440      4.961087
  N      -2.239362      0.802106      4.537174
  H      -3.443731      5.571639      5.077507
  H      -4.306758      4.873189      6.456294
  H      -1.575286      4.104502      5.312615
  H      -1.923585      4.666524      6.969102
  H      -0.134449      0.798647      4.880006
  H      -0.790209      2.338212      4.312841
  H      -1.240154      1.027708      7.056867
  H      -0.352326      2.550894      6.774625
  H      -4.489275      1.208081      8.859824
  H      -3.129944      0.350712      8.111400
  H      -3.814907      3.335677      7.984289
  H      -2.324697      2.621278      8.659161
  C      -5.279045      4.240334      3.853557
  C      -6.570819      4.626505      4.600274
  C      -7.277127      3.439443      5.232034
  O      -7.482187      2.430969      4.199217
  C      -8.678328      2.360983      3.592577
  N      -9.785179      2.647633      4.243837
  C     -10.955141      2.502313      3.564683
  N     -11.118538      2.137879      2.308718
  C      -9.971071      1.876546      1.614113
  C     -10.029533      1.531269      0.242979
  C      -8.850918      1.305239     -0.430774
  C      -7.623067      1.411420      0.262129
  N      -7.522244      1.722061      1.548250
  C      -8.684125      1.955458      2.216119
  C      -2.132805     -0.647546      4.364288
  C      -1.621407     -1.095190      2.970742
  C      -2.627100     -1.997219      2.255101
  O      -2.506675     -1.921940      0.808297
  C      -3.024182     -0.846488      0.214844
  N      -3.635116      0.094485      0.917525
  C      -4.116604      1.164276      0.230980
  N      -4.071989      1.384392     -1.063989
  C      -3.457889      0.408452     -1.807061
  C      -3.357518      0.536199     -3.210946
  C      -2.732298     -0.465263     -3.921755
  C      -2.214577     -1.586250     -3.230726
  N      -2.287199     -1.743977     -1.917214
  C      -2.897827     -0.758890     -1.216003
  C      -5.884209      0.289203      6.901236
  C      -5.719328     -1.228185      7.114508
  C      -6.852588     -2.018029      6.491356
  O      -6.662324     -2.000470      5.043927
  C      -7.703006     -1.750622      4.240020
  N      -8.866289     -1.353528      4.717206
  C      -9.865661     -1.133426      3.821272
  N      -9.830476     -1.313051      2.517206
  C      -8.629221     -1.725698      2.008085
  C      -8.484381     -1.958453      0.620081
  C      -7.251088     -2.335665      0.135782
  C      -6.168533     -2.468444      1.034346
  N      -6.264137     -2.278088      2.343311
  C      -7.482690     -1.928001      2.826552
  H      -4.876562      5.148002      3.364985
  H      -5.535794      3.538960      3.048667
  H      -6.354025      5.359754      5.394016
  H      -7.250208      5.122812      3.887956
  H      -8.242806      3.706296      5.678556
  H      -6.646396      2.952295      5.988268
  H     -11.858534      2.722305      4.140883
  H     -11.004517      1.460224     -0.239605
  H      -8.846634      1.045216     -1.490135
  H      -6.686725      1.239535     -0.274218
  H      -1.472626     -1.046502      5.155413
  H      -3.121192     -1.100091      4.551691
  H      -0.661675     -1.622488      3.057768
  H      -1.446604     -0.195380      2.368195
  H      -3.662155     -1.760969      2.535570
  H      -2.449338     -3.056900      2.469699
  H      -4.603817      1.930563      0.842973
  H      -3.774606      1.422894     -3.690158
  H      -2.630164     -0.407575     -5.005498
  H      -1.719181     -2.386520     -3.787795
  H      -6.491711      0.461953      6.000468
  H      -6.461440      0.724244      7.738329
  H      -4.766155     -1.555996      6.670935
  H      -5.676014     -1.472169      8.186494
  H      -7.840375     -1.605978      6.733402
  H      -6.819923     -3.075827      6.785893
  H     -10.802468     -0.760657      4.246810
  H      -9.352413     -1.824908     -0.024679
  H      -7.093247     -2.525700     -0.926309
  H      -5.182600     -2.751758      0.653480
  N      -5.214718      0.793653      3.522255
  H      -4.707175      0.100626      2.955354
  H      -5.660266      1.424810      2.836468
  H      -6.020500      0.308516      3.926036
99
Coordinates from ORCA-job orca E -6478.820546462568
  N      -4.219204      3.657788      4.689926
  Mo     -3.903368      1.731504      5.082634
  N      -4.645115      1.032057      6.750821
  C      -3.865755      1.205004      7.978358
  C      -3.106234      2.521542      7.885548
  N      -2.481574      2.648246      6.536918
  C      -2.308479      4.074734      6.137125
  C      -3.621911      4.625317      5.611526
  C      -1.190099      1.902639      6.438999
  C      -1.001158      1.460500      4.989529
  N      -2.238647      0.807511      4.548197
  H      -3.421736      5.578984      5.088236
  H      -4.303924      4.871014      6.449456
  H      -1.562691      4.096111      5.330483
  H      -1.918554      4.662588      6.984658
  H      -0.138997      0.778311      4.916326
  H      -0.770745      2.326954      4.347477
  H      -1.269194      1.012275      7.078583
  H      -0.361403      2.527097      6.814780
  H      -4.528980      1.236353      8.860937
  H      -3.171302      0.357872      8.133752
  H      -3.819186      3.351195      7.992802
  H      -2.341150      2.619170      8.674017
  C      -5.244529      4.251476      3.834981
  C      -6.537730      4.642057      4.576288
  C      -7.246114      3.461203      5.216124
  O      -7.459777      2.449162      4.190516
  C      -8.664197      2.371679      3.600453
  N      -9.762413      2.669264      4.261948
  C     -10.940637      2.519704      3.598726
  N     -11.119447      2.141193      2.348756
  C      -9.981028      1.868428      1.643462
  C     -10.055473      1.510688      0.276282
  C      -8.884672      1.274930     -0.408175
  C      -7.648723      1.380696      0.270338
  N      -7.532451      1.702799      1.551989
  C      -8.686873      1.948499      2.229950
  C      -2.149731     -0.641051      4.357753
  C      -1.640899     -1.076364      2.959644
  C      -2.638196     -1.991391      2.246252
  O      -2.515055     -1.916466      0.799880
  C      -3.032221     -0.841888      0.204790
  N      -3.654383      0.094204      0.905022
  C      -4.133729      1.164714      0.217367
  N      -4.077285      1.388774     -1.077675
  C      -3.452545      0.417549     -1.818673
  C      -3.338630      0.550568     -3.222261
  C      -2.701836     -0.445603     -3.930560
  C      -2.186656     -1.566976     -3.237653
  N      -2.271921     -1.729690     -1.924409
  C      -2.893441     -0.749586     -1.225429
  C      -5.894842      0.295699      6.891311
  C      -5.716095     -1.220279      7.102665
  C      -6.847232     -2.016328      6.483276
  O      -6.660306     -1.994761      5.034783
  C      -7.705053     -1.755916      4.232458
  N      -8.869885     -1.365364      4.711862
  C      -9.872837     -1.155461      3.816884
  N      -9.839870     -1.341348      2.513505
  C      -8.637307     -1.749236      2.002989
  C      -8.496270     -1.994646      0.616158
  C      -7.261637     -2.367575      0.131617
  C      -6.174054     -2.483748      1.027922
  N      -6.266593     -2.282760      2.335797
  C      -7.486540     -1.937242      2.819568
  H      -4.834046      5.156103      3.348599
  H      -5.497518      3.550297      3.029441
  H      -6.325107      5.378477      5.367173
  H      -7.214814      5.134248      3.860154
  H      -8.207839      3.734487      5.666860
  H      -6.611714      2.977196      5.970755
  H     -11.836653      2.748384      4.183163
  H     -11.036117      1.439014     -0.194519
  H      -8.891937      1.008535     -1.465824
  H      -6.719153      1.197335     -0.274468
  H      -1.499835     -1.060765      5.146840
  H      -3.145517     -1.081965      4.534547
  H      -0.670581     -1.586744      3.036560
  H      -1.488956     -0.170427      2.359267
  H      -3.676798     -1.762951      2.523830
  H      -2.451310     -3.049857      2.464067
  H      -4.628984      1.927326      0.828345
  H      -3.754684      1.437191     -3.702778
  H      -2.588621     -0.383539     -5.013862
  H      -1.682430     -2.363389     -3.792662
  H      -6.498560      0.466332      5.987123
  H      -6.482057      0.723130      7.726409
  H      -4.763491     -1.541514      6.651968
  H      -5.663367     -1.464345      8.174827
  H      -7.836014     -1.608007      6.728959
  H      -6.808338     -3.074983      6.776586
  H     -10.811830     -0.789485      4.242919
  H      -9.369432     -1.876441     -0.026339
  H      -7.107379     -2.568423     -0.929389
  H      -5.187468     -2.764837      0.647468
  N      -5.201365      0.790440      3.517292
  H      -4.674699      0.127117      2.929289
  H      -5.672152      1.423421      2.848908
  H      -5.985845      0.267408      3.917608
99
Coordinates from ORCA-job orca E -6478.821567635769
  N      -4.194777      3.672865      4.691620
  Mo     -3.897663      1.744344      5.085250
  N      -4.657812      1.045836      6.746106
  C      -3.892005      1.211638      7.982914
  C      -3.121341      2.522407      7.900944
  N      -2.486059      2.649766      6.557464
  C      -2.303422      4.077194      6.164567
  C      -3.610085      4.633336      5.629304
  C      -1.197747      1.897694      6.469976
  C      -0.993952      1.462293      5.020892
  N      -2.230082      0.822152      4.560384
  H      -3.403405      5.591809      5.118193
  H      -4.302398      4.870401      6.460417
  H      -1.552292      4.098442      5.363367
  H      -1.917776      4.660268      7.017130
  H      -0.136714      0.773381      4.954376
  H      -0.748647      2.330908      4.387256
  H      -1.292581      1.003500      7.101864
  H      -0.369919      2.513966      6.860276
  H      -4.566050      1.247808      8.857017
  H      -3.206694      0.358805      8.145971
  H      -3.827476      3.357691      8.007329
  H      -2.360706      2.610345      8.694566
  C      -5.214345      4.271491      3.831883
  C      -6.510251      4.663560      4.567252
  C      -7.222463      3.484531      5.209513
  O      -7.445506      2.472525      4.186274
  C      -8.655686      2.389342      3.609417
  N      -9.747906      2.697741      4.275927
  C     -10.932256      2.541023      3.624549
  N     -11.122271      2.146709      2.381205
  C      -9.990706      1.862400      1.670374
  C     -10.077201      1.488783      0.307485
  C      -8.912197      1.242248     -0.382765
  C      -7.670341      1.349852      0.286192
  N      -7.542695      1.687025      1.563051
  C      -8.691214      1.946353      2.245694
  C      -2.151202     -0.624340      4.353474
  C      -1.640787     -1.046961      2.952581
  C      -2.621894     -1.983305      2.245090
  O      -2.499079     -1.913418      0.798503
  C      -3.024982     -0.845568      0.199524
  N      -3.655420      0.087845      0.896100
  C      -4.143296      1.152454      0.205363
  N      -4.088621      1.372410     -1.090288
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  C      -3.343164      0.533219     -3.231894
  C      -2.697288     -0.459574     -3.936642
  C      -2.171985     -1.573769     -3.239866
  N      -2.255844     -1.732935     -1.926137
  C      -2.886286     -0.756262     -1.230762
  C      -5.901455      0.296747      6.871585
  C      -5.709486     -1.218013      7.074794
  C      -6.839079     -2.017430      6.457105
  O      -6.658469     -1.987201      5.007748
  C      -7.710463     -1.757592      4.210782
  N      -8.874751     -1.374719      4.696967
  C      -9.884190     -1.175368      3.807286
  N      -9.858083     -1.366947      2.504732
  C      -8.656521     -1.768508      1.988028
  C      -8.523458     -2.025349      0.602290
  C      -7.288589     -2.389419      0.111499
  C      -6.193447     -2.486384      1.000401
  N      -6.279357     -2.277275      2.307732
  C      -7.499109     -1.940648      2.797342
  H      -4.796500      5.175413      3.350384
  H      -5.462508      3.571689      3.022614
  H      -6.300267      5.400516      5.358667
  H      -7.185091      5.156093      3.848894
  H      -8.180411      3.763409      5.664311
  H      -6.585941      2.999134      5.962831
  H     -11.822585      2.779413      4.212230
  H     -11.062118      1.414512     -0.155205
  H      -8.927609      0.966546     -1.438219
  H      -6.745929      1.154348     -0.262782
  H      -1.509256     -1.059337      5.140437
  H      -3.151552     -1.058916      4.520217
  H      -0.657790     -1.533291      3.021736
  H      -1.516497     -0.137316      2.351386
  H      -3.664522     -1.769620      2.520784
  H      -2.418028     -3.037444      2.468776
  H      -4.645260      1.912365      0.814049
  H      -3.767299      1.414364     -3.715406
  H      -2.584616     -0.400125     -5.020040
  H      -1.660398     -2.367456     -3.791945
  H      -6.500561      0.468445      5.964493
  H      -6.498690      0.712491      7.705434
  H      -4.757932     -1.530349      6.615722
  H      -5.647389     -1.466769      8.145229
  H      -7.828431     -1.614680      6.709055
  H      -6.793665     -3.077485      6.744635
  H     -10.822943     -0.813430      4.237719
  H      -9.403096     -1.924357     -0.034001
  H      -7.140618     -2.598576     -0.949085
  H      -5.206554     -2.759743      0.615124
  N      -5.179875      0.798054      3.508625
  H      -4.634830      0.171850      2.896428
  H      -5.677826      1.432925      2.863048
  H      -5.939902      0.234385      3.901745
99
Coordinates from ORCA-job orca E -6478.822593537778
  N      -4.170994      3.684484      4.692220
  Mo     -3.891120      1.754943      5.091527
  N      -4.674148      1.061621      6.745001
  C      -3.922182      1.223990      7.990934
  C      -3.138985      2.527794      7.916824
  N      -2.490810      2.650451      6.578751
  C      -2.295957      4.077247      6.187683
  C      -3.594339      4.640431      5.640870
  C      -1.206739      1.889087      6.504554
  C      -0.988165      1.455565      5.057578
  N      -2.223284      0.828894      4.578447
  H      -3.378126      5.600482      5.137280
  H      -4.296335      4.874932      6.464292
  H      -1.538504      4.093717      5.392378
  H      -1.914406      4.658059      7.043546
  H      -0.137012      0.758400      5.000111
  H      -0.726160      2.324347      4.430778
  H      -1.319112      0.993621      7.131689
  H      -0.379122      2.497283      6.907064
  H      -4.607506      1.267230      8.855886
  H      -3.246260      0.365619      8.163945
  H      -3.837413      3.370113      8.017958
  H      -2.383936      2.607949      8.716315
  C      -5.183339      4.286903      3.826048
  C      -6.481552      4.683840      4.553570
  C      -7.194389      3.506800      5.200334
  O      -7.423843      2.495961      4.178231
  C      -8.638975      2.405039      3.615073
  N      -9.725633      2.723992      4.286567
  C     -10.915495      2.561407      3.646721
  N     -11.116174      2.153283      2.409673
  C      -9.990864      1.858504      1.692813
  C     -10.088538      1.471194      0.334224
  C      -8.929442      1.213067     -0.361729
  C      -7.682141      1.321002      0.297659
  N      -7.544004      1.671974      1.569651
  C      -8.686673      1.944263      2.256895
  C      -2.156106     -0.614649      4.352304
  C      -1.646826     -1.021196      2.946979
  C      -2.614634     -1.973674      2.242706
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  C      -3.479552      0.401377     -1.831577
  C      -3.375143      0.527246     -3.236755
  C      -2.724222     -0.462446     -3.941632
  C      -2.185756     -1.569778     -3.244052
  N      -2.261921     -1.725786     -1.929329
  C      -2.897772     -0.752505     -1.234240
  C      -5.913270      0.303313      6.855071
  C      -5.711454     -1.210336      7.054459
  C      -6.836196     -2.013448      6.433534
  O      -6.652666     -1.978128      4.984423
  C      -7.706936     -1.757236      4.187007
  N      -8.873018     -1.379352      4.672370
  C      -9.884351     -1.192467      3.782054
  N      -9.858254     -1.393862      2.480857
  C      -8.655004     -1.792328      1.965767
  C      -8.522404     -2.065314      0.582985
  C      -7.285692     -2.427004      0.094681
  C      -6.187891     -2.504607      0.982487
  N      -6.273593     -2.280945      2.287218
  C      -7.495328     -1.948214      2.774441
  H      -4.756695      5.187493      3.346470
  H      -5.427165      3.586274      3.015678
  H      -6.272068      5.423221      5.342812
  H      -7.155446      5.175005      3.833883
  H      -8.149229      3.788998      5.659199
  H      -6.555247      3.022172      5.952369
  H     -11.801455      2.807349      4.238733
  H     -11.077214      1.395610     -0.120287
  H      -8.952820      0.927199     -1.414332
  H      -6.762715      1.112519     -0.255253
  H      -1.521225     -1.067580      5.134640
  H      -3.161326     -1.041512      4.508985
  H      -0.652220     -1.485294      3.005675
  H      -1.548417     -0.106690      2.347958
  H      -3.660293     -1.773541      2.518741
  H      -2.395397     -3.024830      2.467183
  H      -4.669319      1.907513      0.810904
  H      -3.809252      1.403207     -3.721003
  H      -2.617622     -0.405347     -5.025718
  H      -1.669724     -2.360768     -3.796190
  H      -6.504266      0.474349      5.942417
  H      -6.522522      0.710554      7.684507
  H      -4.758782     -1.515800      6.592377
  H      -5.646244     -1.462048      8.123845
  H      -7.827567     -1.614935      6.684501
  H      -6.786674     -3.074074      6.717265
  H     -10.824920     -0.832291      4.210795
  H      -9.404198     -1.980879     -0.052805
  H      -7.138981     -2.649749     -0.963007
  H      -5.199748     -2.775793      0.599214
  N      -5.158478      0.794222      3.507902
  H      -4.597262      0.204781      2.871693
  H      -5.687084      1.426782      2.884195
  H      -5.889756      0.190212      3.897714
99
Coordinates from ORCA-job orca E -6478.823601225432
  N      -4.148124      3.693906      4.691939
  Mo     -3.883134      1.764158      5.097141
  N      -4.692227      1.079571      6.742947
  C      -3.954205      1.241436      7.997384
  C      -3.157723      2.537509      7.928614
  N      -2.494053      2.651556      6.597027
  C      -2.284308      4.075920      6.204140
  C      -3.574074      4.647018      5.645751
  C      -1.215556      1.879084      6.539115
  C      -0.981700      1.443257      5.095699
  N      -2.216013      0.829803      4.599149
  H      -3.348032      5.606329      5.145030
  H      -4.283151      4.883253      6.462795
  H      -1.519793      4.083828      5.415411
  H      -1.906454      4.656406      7.061839
  H      -0.137441      0.736979      5.050346
  H      -0.701413      2.309767      4.473274
  H      -1.345957      0.984901      7.164667
  H      -0.387787      2.480016      6.951996
  H      -4.650825      1.293406      8.852839
  H      -3.287651      0.378076      8.182427
  H      -3.848189      3.387388      8.020523
  H      -2.409853      2.611550      8.735212
  C      -5.153921      4.296825      3.819994
  C      -6.453310      4.702872      4.539772
  C      -7.167534      3.530967      5.195637
  O      -7.403425      2.517841      4.178220
  C      -8.622092      2.417019      3.627616
  N      -9.705105      2.746701      4.300688
  C     -10.898468      2.576961      3.669561
  N     -11.106545      2.154853      2.438787
  C      -9.985379      1.849648      1.719095
  C     -10.090769      1.449067      0.364889
  C      -8.935583      1.179908     -0.333897
  C      -7.685022      1.288311      0.319309
  N      -7.540085      1.652737      1.586945
  C      -8.678539      1.937524      2.275372
  C      -2.159328     -0.610302      4.351946
  C      -1.649804     -0.998248      2.942093
  C      -2.605006     -1.962917      2.237390
  O      -2.487886     -1.889178      0.789714
  C      -3.032295     -0.829876      0.193241
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  C      -2.762552     -0.459751     -3.948048
  C      -2.210418     -1.561166     -3.252052
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  C      -2.910725     -0.743229     -1.238841
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  C      -5.722632     -1.196347      7.036635
  C      -6.842369     -2.003305      6.411506
  O      -6.653377     -1.968094      4.962348
  C      -7.709268     -1.760482      4.161597
  N      -8.878599     -1.389205      4.642807
  C      -9.889707     -1.216441      3.749960
  N      -9.860426     -1.428265      2.450563
  C      -8.653674     -1.820954      1.940125
  C      -8.517128     -2.106290      0.560127
  C      -7.276690     -2.461549      0.076285
  C      -6.179112     -2.519717      0.965815
  N      -6.268278     -2.284438      2.268448
  C      -7.493651     -1.959267      2.750799
  H      -4.720215      5.191933      3.336426
  H      -5.395802      3.591445      3.013035
  H      -6.241959      5.448815      5.321911
  H      -7.126628      5.189445      3.817205
  H      -8.119898      3.818834      5.656084
  H      -6.528145      3.048201      5.948304
  H     -11.781320      2.831273      4.263111
  H     -11.081990      1.372113     -0.084173
  H      -8.964348      0.883900     -1.383478
  H      -6.769136      1.067979     -0.234779
  H      -1.531262     -1.081841      5.128832
  H      -3.169097     -1.030042      4.497101
  H      -0.645364     -1.442089      2.991182
  H      -1.573182     -0.078106      2.348127
  H      -3.653299     -1.775348      2.513581
  H      -2.372397     -3.011885      2.459611
  H      -4.684276      1.908747      0.814050
  H      -3.857799      1.399349     -3.723342
  H      -2.666425     -0.405160     -5.033066
  H      -1.693863     -2.350249     -3.806325
  H      -6.507671      0.486056      5.915546
  H      -6.551549      0.719178      7.658248
  H      -4.767904     -1.498296      6.576192
  H      -5.659124     -1.448627      8.105962
  H      -7.836050     -1.607774      6.657732
  H      -6.790594     -3.063979      6.695081
  H     -10.832774     -0.860696      4.174826
  H      -9.398496     -2.037396     -0.078260
  H      -7.127408     -2.694181     -0.979026
  H      -5.188505     -2.785565      0.585717
  N      -5.135710      0.785229      3.509437
  H      -4.562689      0.229226      2.851770
  H      -5.693948      1.412233      2.906176
  H      -5.836440      0.145033      3.898594
99
Coordinates from ORCA-job orca E -6478.824579553037
  N      -4.124867      3.699102      4.688674
  Mo     -3.876736      1.769041      5.102058
  N      -4.709828      1.098167      6.742494
  C      -3.983850      1.261169      8.003652
  C      -3.174028      2.548991      7.936615
  N      -2.495801      2.651406      6.611120
  C      -2.270100      4.071992      6.213629
  C      -3.551701      4.650188      5.644492
  C      -1.223904      1.866827      6.569634
  C      -0.976115      1.425993      5.129983
  N      -2.210751      0.825065      4.618227
  H      -3.317859      5.607883      5.143926
  H      -4.265327      4.889942      6.456969
  H      -1.499184      4.069158      5.431220
  H      -1.894506      4.653729      7.071605
  H      -0.139333      0.710027      5.097753
  H      -0.677075      2.288063      4.509684
  H      -1.370813      0.975557      7.195628
  H      -0.395542      2.461201      6.991299
  H      -4.689971      1.324514      8.850655
  H      -3.327225      0.392961      8.202066
  H      -3.856252      3.406433      8.018309
  H      -2.433073      2.618348      8.750070
  C      -5.125944      4.301393      3.812240
  C      -6.425437      4.717164      4.526369
  C      -7.141096      3.551702      5.191147
  O      -7.381137      2.534792      4.178189
  C      -8.603284      2.425007      3.639143
  N      -9.681595      2.763026      4.315492
  C     -10.879375      2.585687      3.694805
  N     -11.096813      2.150615      2.470149
  C      -9.980345      1.837034      1.745909
  C     -10.095072      1.425061      0.396168
  C      -8.944814      1.147859     -0.307766
  C      -7.690322      1.258009      0.336966
  N      -7.537047      1.633640      1.600394
  C      -8.670057      1.928416      2.292741
  C      -2.162235     -0.611567      4.350004
  C      -1.651877     -0.978335      2.934921
  C      -2.592285     -1.954436      2.227491
  O      -2.478104     -1.874298      0.779386
  C      -3.033442     -0.818670      0.186905
  N      -3.673269      0.105955      0.889057
  C      -4.195747      1.157084      0.202405
  N      -4.168351      1.372121     -1.094431
  C      -3.526792      0.413492     -1.837163
  C      -3.445291      0.536176     -3.243932
  C      -2.791352     -0.446915     -3.955658
  C      -2.226002     -1.543660     -3.262969
  N      -2.280150     -1.696264     -1.946974
  C      -2.920321     -0.730276     -1.245772
  C      -5.946565      0.334278      6.821216
  C      -5.741687     -1.178376      7.025225
  C      -6.858514     -1.986980      6.397773
  O      -6.662104     -1.955143      4.949020
  C      -7.716953     -1.762383      4.142874
  N      -8.891460     -1.398891      4.616753
  C      -9.900854     -1.241105      3.718913
  N      -9.864305     -1.461972      2.420961
  C      -8.652025     -1.848155      1.918464
  C      -8.507639     -2.143063      0.541201
  C      -7.262200     -2.491046      0.064768
  C      -6.167143     -2.531783      0.959094
  N      -6.262943     -2.287006      2.259656
  C      -7.493406     -1.969603      2.734664
  H      -4.688041      5.191540      3.322652
  H      -5.368745      3.591057      3.009548
  H      -6.212206      5.471349      5.300497
  H      -7.098087      5.197648      3.798770
  H      -8.092297      3.844600      5.651065
  H      -6.503129      3.070384      5.945785
  H     -11.758196      2.846440      4.292224
  H     -11.089131      1.346434     -0.045967
  H      -8.980795      0.843623     -1.354514
  H      -6.778393      1.029336     -0.220384
  H      -1.539919     -1.100148      5.120929
  H      -3.175329     -1.026349      4.484491
  H      -0.638223     -1.401408      2.974262
  H      -1.597069     -0.051997      2.348816
  H      -3.642934     -1.782430      2.504077
  H      -2.344442     -3.000317      2.445373
  H      -4.704373      1.907029      0.817860
  H      -3.899390      1.403836     -3.724607
  H      -2.702944     -0.392111     -5.041255
  H      -1.706674     -2.328874     -3.820357
  H      -6.512661      0.502690      5.892468
  H      -6.580532      0.736147      7.634710
  H      -4.785166     -1.480601      6.568693
  H      -5.682404     -1.429263      8.095207
  H      -7.853556     -1.591405      6.637868
  H      -6.807940     -3.047002      6.684001
  H     -10.848354     -0.888810      4.137524
  H      -9.386801     -2.087457     -0.102161
  H      -7.107037     -2.731204     -0.988210
  H      -5.172961     -2.791805      0.584007
  N      -5.117452      0.774226      3.512526
  H      -4.536064      0.251723      2.834579
  H      -5.707290      1.392505      2.930548
  H      -5.785399      0.099411      3.900101
99
Coordinates from ORCA-job orca E -6478.825553285294
  N      -4.103550      3.698630      4.679760
  Mo     -3.871216      1.769218      5.103315
  N      -4.728413      1.118470      6.740135
  C      -4.013556      1.285416      8.006574
  C      -3.189704      2.564101      7.936849
  N      -2.496369      2.649230      6.617833
  C      -2.252547      4.064096      6.210931
  C      -3.525786      4.650384      5.630803
  C      -1.232827      1.850762      6.595956
  C      -0.972143      1.398274      5.162422
  N      -2.207845      0.810498      4.637744
  H      -3.283131      5.603175      5.124667
  H      -4.240495      4.900326      6.439723
  H      -1.475945      4.046417      5.434446
  H      -1.877216      4.649430      7.066646
  H      -0.144537      0.671134      5.146702
  H      -0.652473      2.252019      4.540805
  H      -1.396275      0.965772      7.226541
  H      -0.403198      2.439434      7.023178
  H      -4.727636      1.363243      8.845763
  H      -3.367606      0.412735      8.220320
  H      -3.863030      3.429617      8.004938
  H      -2.456321      2.631216      8.757349
  C      -5.101044      4.296951      3.798681
  C      -6.399108      4.727334      4.508099
  C      -7.119916      3.574423      5.188150
  O      -7.365897      2.547336      4.186675
  C      -8.591164      2.427382      3.658128
  N      -9.666624      2.772686      4.335447
  C     -10.866901      2.587427      3.722383
  N     -11.089853      2.140894      2.503069
  C      -9.975857      1.820312      1.776927
  C     -10.095705      1.398886      0.431240
  C      -8.948041      1.115073     -0.274626
  C      -7.691869      1.226869      0.365157
  N      -7.534216      1.611665      1.625189
  C      -8.664208      1.914687      2.318218
  C      -2.166310     -0.621748      4.346972
  C      -1.653706     -0.965085      2.927158
  C      -2.581569     -1.947549      2.212889
  O      -2.467218     -1.857748      0.764970
  C      -3.029673     -0.803246      0.178036
  N      -3.671178      0.116017      0.885401
  C      -4.201899      1.166444      0.203786
  N      -4.180360      1.385656     -1.092636
  C      -3.536967      0.432787     -1.841060
  C      -3.462230      0.559739     -3.248066
  C      -2.807435     -0.418259     -3.965601
  C      -2.233813     -1.514080     -3.278118
  N      -2.281202     -1.670310     -1.962102
  C      -2.922728     -0.709545     -1.255160
  C      -5.966452      0.357271      6.806994
  C      -5.765883     -1.154683      7.019465
  C      -6.880740     -1.964043      6.390240
  O      -6.676192     -1.937476      4.942235
  C      -7.729762     -1.762762      4.129961
  N      -8.910449     -1.411189      4.596319
  C      -9.918096     -1.272139      3.693854
  N      -9.873442     -1.502901      2.398107
  C      -8.654632     -1.877590      1.903483
  C      -8.501150     -2.180405      0.529384
  C      -7.249552     -2.515814      0.060041
  C      -6.157854     -2.535495      0.958381
  N      -6.261320     -2.282414      2.256600
  C      -7.497594     -1.977673      2.724833
  H      -4.660330      5.179921      3.298087
  H      -5.347567      3.578081      3.004691
  H      -6.182814      5.493359      5.269466
  H      -7.070119      5.198314      3.772782
  H      -8.069888      3.877842      5.644147
  H      -6.485718      3.096805      5.947541
  H     -11.743133      2.853519      4.321636
  H     -11.090993      1.318665     -0.007117
  H      -8.988397      0.803414     -1.318719
  H      -6.782213      0.991710     -0.192730
  H      -1.549964     -1.127841      5.111335
  H      -3.182588     -1.031982      4.469455
  H      -0.632563     -1.370766      2.958318
  H      -1.616244     -0.031061      2.352151
  H      -3.634496     -1.787180      2.488486
  H      -2.323053     -2.992276      2.424569
  H      -4.712919      1.910369      0.824316
  H      -3.922455      1.426345     -3.724620
  H      -2.724647     -0.360264     -5.051743
  H      -1.713620     -2.295206     -3.839968
  H      -6.519156      0.522159      5.869826
  H      -6.610639      0.762770      7.610525
  H      -4.807397     -1.459866      6.569376
  H      -5.712752     -1.401629      8.090753
  H      -7.876849     -1.566902      6.622664
  H      -6.833203     -3.022905      6.681251
  H     -10.870727     -0.928521      4.106414
  H      -9.377345     -2.140528     -0.118260
  H      -7.086942     -2.761777     -0.990178
  H      -5.159312     -2.785382      0.587883
  N      -5.101354      0.756274      3.515420
  H      -4.514635      0.262233      2.819367
  H      -5.721251      1.363528      2.952449
  H      -5.736215      0.050637      3.904612
99
Coordinates from ORCA-job orca E -6478.826532859313
  N      -4.081086      3.692137      4.667772
  Mo     -3.866805      1.764221      5.105146
  N      -4.744320      1.137149      6.740900
  C      -4.038524      1.307973      8.011159
  C      -3.200884      2.577250      7.936363
  N      -2.495476      2.643666      6.622715
  C      -2.234410      4.052113      6.204945
  C      -3.499641      4.645446      5.613469
  C      -1.240523      1.831989      6.618813
  C      -0.969329      1.366643      5.191083
  N      -2.206850      0.790896      4.655479
  H      -3.248526      5.592801      5.100843
  H      -4.214528      4.907095      6.418779
  H      -1.453308      4.019334      5.433670
  H      -1.857967      4.641718      7.057318
  H      -0.151222      0.628474      5.190992
  H      -0.629932      2.211143      4.567117
  H      -1.418117      0.953562      7.254534
  H      -0.409275      2.415638      7.050191
  H      -4.758298      1.402131      8.844000
  H      -3.404070      0.430711      8.240123
  H      -3.865304      3.450271      7.991664
  H      -2.473801      2.643361      8.762701
  C      -5.074957      4.287720      3.780870
  C      -6.371711      4.732093      4.485397
  C      -7.099886      3.592676      5.178076
  O      -7.349649      2.555118      4.186894
  C      -8.579005      2.427223      3.668560
  N      -9.649320      2.778125      4.350104
  C     -10.853919      2.585080      3.747752
  N     -11.085918      2.127581      2.533964
  C      -9.976624      1.801136      1.802881
  C     -10.105531      1.369886      0.461386
  C      -8.962631      1.081361     -0.250075
  C      -7.702651      1.196666      0.380768
  N      -7.536622      1.590321      1.637154
  C      -8.661497      1.900171      2.335184
  C      -2.168901     -0.636557      4.341403
  C      -1.653479     -0.953507      2.916465
  C      -2.565496     -1.942734      2.193018
  O      -2.450743     -1.839852      0.745763
  C      -3.024873     -0.787890      0.165521
  N      -3.676821      0.120165      0.878272
  C      -4.218684      1.169131      0.202851
  N      -4.198517      1.395974     -1.092233
  C      -3.545205      0.454164     -1.846632
  C      -3.471966      0.589598     -3.252767
  C      -2.807375     -0.377450     -3.976314
  C      -2.222199     -1.471309     -3.295359
  N      -2.267733     -1.635287     -1.980254
  C      -2.918960     -0.685016     -1.267184
  C      -5.986039      0.381595      6.800046
  C      -5.794038     -1.129742      7.023847
  C      -6.910183     -1.937888      6.396155
  O      -6.697879     -1.920062      4.949011
  C      -7.747957     -1.763760      4.129416
  N      -8.935665     -1.422991      4.586353
  C      -9.939688     -1.299749      3.677035
  N      -9.884232     -1.537169      2.382863
  C      -8.657962     -1.901117      1.898085
  C      -8.493006     -2.207109      0.526133
  C      -7.234720     -2.529363      0.065641
  C      -6.148110     -2.533488      0.970937
  N      -6.261618     -2.276903      2.267754
  C      -7.504331     -1.984027      2.727628
  H      -4.631837      5.165172      3.272047
  H      -5.325807      3.562573      2.993723
  H      -6.153875      5.508822      5.235802
  H      -7.039082      5.194218      3.740382
  H      -8.049680      3.906277      5.627703
  H      -6.470898      3.118482      5.943928
  H     -11.725258      2.855664      4.351466
  H     -11.103525      1.286412      0.029659
  H      -9.010866      0.762909     -1.291907
  H      -6.796639      0.956981     -0.180814
  H      -1.556811     -1.157974      5.098691
  H      -3.186750     -1.045699      4.453014
  H      -0.624864     -1.340169      2.939556
  H      -1.635340     -0.011250      2.354937
  H      -3.620589     -1.798318      2.468247
  H      -2.292993     -2.985012      2.396949
  H      -4.738195      1.903372      0.828485
  H      -3.941265      1.454108     -3.724169
  H      -2.725646     -0.312715     -5.062216
  H      -1.694091     -2.243787     -3.862056
  H      -6.527781      0.542803      5.856019
  H      -6.636800      0.794690      7.594198
  H      -4.834816     -1.441814      6.580335
  H      -5.746631     -1.369865      8.097050
  H      -7.905770     -1.535396      6.621213
  H      -6.869253     -2.994923      6.694939
  H     -10.898852     -0.963653      4.081749
  H      -9.365603     -2.178755     -0.127531
  H      -7.062407     -2.776449     -0.982981
  H      -5.144692     -2.773166      0.606526
  N      -5.089121      0.739034      3.519347
  H      -4.499163      0.275658      2.804968
  H      -5.740302      1.333440      2.977644
  H      -5.689429      0.002934      3.907638
99
Coordinates from ORCA-job orca E -6478.827514495618
  N      -4.059748      3.679101      4.652323
  Mo     -3.860795      1.754419      5.105847
  N      -4.757949      1.154956      6.741492
  C      -4.061158      1.331589      8.015104
  C      -3.210166      2.591583      7.932894
  N      -2.493325      2.636258      6.624691
  C      -2.215755      4.037282      6.192552
  C      -3.472511      4.637214      5.588231
  C      -1.246850      1.812712      6.640408
  C      -0.965956      1.329980      5.220504
  N      -2.204750      0.764717      4.676074
  H      -3.210672      5.576057      5.065429
  H      -4.186285      4.916182      6.388731
  H      -1.431229      3.987877      5.425752
  H      -1.837139      4.632806      7.039820
  H      -0.157802      0.581002      5.237649
  H      -0.607133      2.163275      4.592264
  H      -1.437196      0.942584      7.283656
  H      -0.414130      2.393114      7.073278
  H      -4.785779      1.443820      8.841696
  H      -3.438573      0.450251      8.260380
  H      -3.866142      3.471567      7.973249
  H      -2.489563      2.659581      8.764808
  C      -5.049807      4.269772      3.757608
  C      -6.345056      4.729341      4.456257
  C      -7.081822      3.605875      5.164572
  O      -7.336345      2.554358      4.187652
  C      -8.570563      2.418256      3.680443
  N      -9.635616      2.773402      4.367328
  C     -10.844463      2.573620      3.775540
  N     -11.084894      2.107487      2.566449
  C      -9.980660      1.776738      1.829738
  C     -10.117950      1.338811      0.491300
  C      -8.979488      1.047352     -0.226028
  C      -7.715910      1.164463      0.396482
  N      -7.541798      1.563693      1.650097
  C      -8.662100      1.878939      2.353417
  C      -2.166901     -0.656390      4.335463
  C      -1.649909     -0.943723      2.904688
  C      -2.546863     -1.937702      2.169873
  O      -2.430041     -1.819574      0.723957
  C      -3.014933     -0.769898      0.150207
  N      -3.678851      0.125331      0.867630
  C      -4.230287      1.173532      0.198210
  N      -4.208313      1.410010     -1.095071
  C      -3.542894      0.481100     -1.854776
  C      -3.467039      0.627817     -3.259732
  C      -2.790333     -0.326478     -3.988576
  C      -2.195602     -1.419202     -3.313822
  N      -2.243062     -1.593453     -2.000027
  C      -2.906161     -0.655549     -1.281490
  C      -6.005079      0.408008      6.796354
  C      -5.825385     -1.102344      7.033146
  C      -6.945625     -1.905021      6.407036
  O      -6.727407     -1.894530      4.960963
  C      -7.774999     -1.757637      4.135505
  N      -8.970271     -1.434079      4.585523
  C      -9.971945     -1.331357      3.671066
  N      -9.906375     -1.574298      2.378492
  C      -8.672296     -1.920791      1.900963
  C      -8.496235     -2.229221      0.531299
  C      -7.230557     -2.532227      0.077866
  C      -6.148519     -2.515693      0.987738
  N      -6.272092     -2.256126      2.282754
  C      -7.521498     -1.980979      2.736341
  H      -4.604237      5.140521      3.239543
  H      -5.304971      3.536955      2.979157
  H      -6.126451      5.517247      5.194833
  H      -7.007848      5.181232      3.700526
  H      -8.031101      3.932031      5.606345
  H      -6.457999      3.138054      5.938717
  H     -11.711148      2.846385      4.384444
  H     -11.118143      1.253336      0.065579
  H      -9.035086      0.724807     -1.266378
  H      -6.813311      0.921710     -0.169087
  H      -1.556818     -1.192688      5.083820
  H      -3.185208     -1.066889      4.436763
  H      -0.614100     -1.311610      2.919032
  H      -1.651841      0.007792      2.358982
  H      -3.604097     -1.808280      2.445143
  H      -2.261446     -2.978358      2.364834
  H      -4.760131      1.896477      0.827972
  H      -3.944121      1.490888     -3.726028
  H      -2.706200     -0.252999     -5.073881
  H      -1.657863     -2.181676     -3.884779
  H      -6.537432      0.564818      5.846271
  H      -6.659783      0.832192      7.581338
  H      -4.866675     -1.424664      6.595906
  H      -5.783583     -1.334717      8.108204
  H      -7.939116     -1.494335      6.626452
  H      -6.914467     -2.960324      6.712545
  H     -10.938333     -1.008437      4.069868
  H      -9.366128     -2.216871     -0.125836
  H      -7.048470     -2.779646     -0.968688
  H      -5.139737     -2.740384      0.628423
  N      -5.074329      0.717351      3.522941
  H      -4.481914      0.281199      2.792549
  H      -5.753129      1.298288      3.000092
  H      -5.641366     -0.045824      3.911823
99
Coordinates from ORCA-job orca E -6478.828462218094
  N      -4.038391      3.656875      4.631060
  Mo     -3.855228      1.737271      5.106934
  N      -4.768885      1.170278      6.744981
  C      -4.079902      1.356248      8.020970
  C      -3.215916      2.606860      7.927431
  N      -2.490299      2.625866      6.623640
  C      -2.197010      4.018039      6.172622
  C      -3.444974      4.623078      5.554212
  C      -1.252139      1.791535      6.659063
  C      -0.963885      1.288092      5.248299
  N      -2.203911      0.731221      4.698054
  H      -3.170386      5.551037      5.018932
  H      -4.157655      4.923162      6.348001
  H      -1.410492      3.950218      5.409086
  H      -1.814890      4.621410      7.012687
  H      -0.165934      0.528780      5.282810
  H      -0.586952      2.109086      4.614156
  H      -1.453894      0.930800      7.311550
  H      -0.417384      2.369789      7.090691
  H      -4.808417      1.488742      8.841295
  H      -3.469124      0.471697      8.283963
  H      -3.863906      3.493357      7.950998
  H      -2.500600      2.680186      8.763436
  C      -5.023911      4.242061      3.726545
  C      -6.317936      4.719060      4.416592
  C      -7.065110      3.613454      5.141795
  O      -7.324943      2.546445      4.181553
  C      -8.563882      2.402222      3.685669
  N      -9.623967      2.758969      4.379314
  C     -10.837273      2.552104      3.798500
  N     -11.085674      2.079218      2.593590
  C      -9.986812      1.746896      1.850093
  C     -10.132730      1.303319      0.514035
  C      -8.998910      1.010696     -0.209894
  C      -7.731055      1.130715      0.403826
  N      -7.548526      1.534479      1.654743
  C      -8.664333      1.852855      2.364196
  C      -2.163375     -0.681849      4.327873
  C      -1.644784     -0.935509      2.891261
  C      -2.524623     -1.933299      2.141910
  O      -2.403627     -1.796810      0.698358
  C      -3.000189     -0.749420      0.131961
  N      -3.682001      0.128589      0.853826
  C      -4.243818      1.176078      0.191196
  N      -4.215302      1.426183     -1.099232
  C      -3.531387      0.514750     -1.863729
  C      -3.447199      0.677659     -3.266475
  C      -2.751658     -0.259150     -4.000331
  C      -2.146751     -1.350708     -3.332698
  N      -2.201510     -1.539821     -2.021225
  C      -2.882932     -0.618986     -1.297643
  C      -6.022221      0.433142      6.800001
  C      -5.856986     -1.075872      7.052540
  C      -6.984496     -1.870895      6.430013
  O      -6.764112     -1.866339      4.984839
  C      -7.811208     -1.748886      4.156558
  N      -9.013552     -1.447354      4.603158
  C     -10.014137     -1.365019      3.685504
  N      -9.940312     -1.608785      2.393546
  C      -8.698913     -1.932590      1.919752
  C      -8.513178     -2.238376      0.550764
  C      -7.240571     -2.516742      0.101301
  C      -6.162033     -2.479228      1.014179
  N      -6.294569     -2.221346      2.308486
  C      -7.550137     -1.969448      2.758557
  H      -4.573963      5.104889      3.199488
  H      -5.283292      3.501285      2.957332
  H      -6.098482      5.517811      5.143150
  H      -6.974911      5.161138      3.649826
  H      -8.013633      3.953672      5.574185
  H      -6.446736      3.154816      5.926034
  H     -11.699602      2.824646      4.413258
  H     -11.135682      1.214238      0.094901
  H      -9.062149      0.684181     -1.248917
  H      -6.832099      0.885481     -0.166246
  H      -1.553337     -1.232376      5.065802
  H      -3.181007     -1.096327      4.418681
  H      -0.601910     -1.283078      2.896835
  H      -1.668761      0.025790      2.363272
  H      -3.584034     -1.820706      2.416770
  H      -2.225187     -2.972042      2.326398
  H      -4.788691      1.884735      0.824369
  H      -3.932998      1.539094     -3.726842
  H      -2.660321     -0.173107     -5.084118
  H      -1.594172     -2.099486     -3.907793
  H      -6.547143      0.583539      5.844536
  H      -6.678326      0.871763      7.576070
  H      -4.900522     -1.411822      6.620266
  H      -5.819086     -1.298487      8.129705
  H      -7.974329     -1.449782      6.646822
  H      -6.965046     -2.924776      6.741332
  H     -10.987649     -1.060061      4.080934
  H      -9.381801     -2.242007     -0.108290
  H      -7.049778     -2.760040     -0.944590
  H      -5.148157     -2.684344      0.657899
  N      -5.060918      0.691852      3.526888
  H      -4.467505      0.281837      2.781944
  H      -5.763828      1.259949      3.022630
  H      -5.597256     -0.095223      3.914484
99
Coordinates from ORCA-job orca E -6478.829349648957
  N      -4.016147      3.639719      4.614303
  Mo     -3.849805      1.724643      5.110087
  N      -4.782369      1.187626      6.747399
  C      -4.102749      1.382617      8.026909
  C      -3.224964      2.623420      7.924975
  N      -2.488939      2.617808      6.626851
  C      -2.178052      4.000925      6.159170
  C      -3.415323      4.612622      5.525944
  C      -1.259667      1.772247      6.682713
  C      -0.963218      1.248126      5.281895
  N      -2.204019      0.701084      4.725031
  H      -3.125048      5.529059      4.979481
  H      -4.128308      4.933792      6.311173
  H      -1.388874      3.914812      5.400054
  H      -1.793097      4.610458      6.993454
  H      -0.176967      0.477749      5.334836
  H      -0.566476      2.056417      4.642942
  H      -1.475294      0.921289      7.343671
  H      -0.422756      2.347491      7.113990
  H      -4.837068      1.533446      8.838848
  H      -3.503607      0.495251      8.306850
  H      -3.864280      3.516510      7.931203
  H      -2.515762      2.701095      8.765662
  C      -4.994731      4.221540      3.699631
  C      -6.287095      4.717514      4.379021
  C      -7.042546      3.627803      5.120396
  O      -7.309169      2.547883      4.176169
  C      -8.552789      2.394337      3.695061
  N      -9.607159      2.754352      4.396333
  C     -10.825673      2.539482      3.828872
  N     -11.084170      2.057364      2.629802
  C      -9.992085      1.721839      1.878155
  C     -10.149041      1.270520      0.545501
  C      -9.020982      0.975029     -0.186648
  C      -7.747492      1.098857      0.415881
  N      -7.554485      1.510068      1.662597
  C      -8.664757      1.832405      2.379376
  C      -2.163165     -0.702364      4.322508
  C      -1.644605     -0.922927      2.880785
  C      -2.509065     -1.925028      2.119720
  O      -2.385542     -1.774446      0.678278
  C      -2.993464     -0.730216      0.117991
  N      -3.689555      0.133448      0.843414
  C      -4.261526      1.179554      0.186427
  N      -4.229179      1.441122     -1.101433
  C      -3.529693      0.544738     -1.869457
  C      -3.439306      0.721571     -3.270250
  C      -2.727802     -0.200126     -4.008030
  C      -2.113431     -1.290116     -3.346338
  N      -2.173427     -1.491818     -2.036982
  C      -2.870507     -0.586013     -1.309738
  C      -6.040188      0.457642      6.798155
  C      -5.886754     -1.050174      7.063691
  C      -7.016872     -1.839865      6.438353
  O      -6.788978     -1.842027      4.994393
  C      -7.835060     -1.744155      4.161990
  N      -9.042985     -1.459241      4.604369
  C     -10.042200     -1.397740      3.683828
  N      -9.962196     -1.647578      2.393601
  C      -8.714676     -1.954607      1.924316
  C      -8.521006     -2.264467      0.557469
  C      -7.243381     -2.525955      0.112687
  C      -6.167684     -2.467539      1.027862
  N      -6.307302     -2.204811      2.320101
  C      -7.567530     -1.968962      2.765435
  H      -4.536586      5.074147      3.163280
  H      -5.258136      3.472744      2.939508
  H      -6.064818      5.525693      5.094145
  H      -6.939341      5.151928      3.604119
  H      -7.989326      3.980829      5.545941
  H      -6.428022      3.178573      5.913028
  H     -11.683028      2.813591      4.449962
  H     -11.155350      1.178287      0.135354
  H      -9.092826      0.642482     -1.222953
  H      -6.852887      0.850125     -0.160342
  H      -1.553381     -1.269207      5.048198
  H      -3.180885     -1.118531      4.402428
  H      -0.595072     -1.249897      2.876969
  H      -1.690785      0.046280      2.368414
  H      -3.570254     -1.827001      2.394235
  H      -2.197048     -2.961805      2.295706
  H      -4.818276      1.876251      0.822163
  H      -3.933021      1.581259     -3.725711
  H      -2.630911     -0.103242     -5.090400
  H      -1.548248     -2.026926     -3.924652
  H      -6.555108      0.602195      5.836315
  H      -6.700463      0.907192      7.564362
  H      -4.930243     -1.397391      6.639674
  H      -5.856763     -1.264864      8.142459
  H      -8.004728     -1.409931      6.648172
  H      -7.008254     -2.892556      6.754506
  H     -11.021155     -1.106000      4.075607
  H      -9.388404     -2.283422     -0.103242
  H      -7.046249     -2.770593     -0.931485
  H      -5.150017     -2.657717      0.674901
  N      -5.048155      0.672435      3.531586
  H      -4.455409      0.289532      2.771455
  H      -5.772547      1.229699      3.047161
  H      -5.555391     -0.136115      3.915091
99
Coordinates from ORCA-job orca E -6478.830207390629
  N      -3.990262      3.615584      4.595191
  Mo     -3.845152      1.706825      5.116548
  N      -4.795455      1.205245      6.754368
  C      -4.124625      1.411208      8.036601
  C      -3.231980      2.640784      7.923034
  N      -2.486534      2.605901      6.630862
  C      -2.155332      3.977469      6.143061
  C      -3.379885      4.596705      5.492356
  C      -1.267865      1.747588      6.708813
  C      -0.964811      1.198844      5.319092
  N      -2.207563      0.662542      4.757180
  H      -3.070069      5.497900      4.931751
  H      -4.092586      4.944629      6.266173
  H      -1.363969      3.869879      5.388699
  H      -1.765839      4.593937      6.970111
  H      -0.192562      0.415901      5.392454
  H      -0.546276      1.991744      4.673829
  H      -1.498128      0.908340      7.380030
  H      -0.427499      2.319359      7.138097
  H      -4.864277      1.583055      8.839405
  H      -3.538098      0.521347      8.334943
  H      -3.862123      3.540350      7.909346
  H      -2.528511      2.725042      8.767785
  C      -4.958936      4.195581      3.667460
  C      -6.249853      4.714300      4.332122
  C      -7.018246      3.643313      5.088673
  O      -7.292319      2.549416      4.162289
  C      -8.541076      2.385337      3.697957
  N      -9.588835      2.746329      4.409176
  C     -10.813391      2.520224      3.858341
  N     -11.083567      2.027412      2.666268
  C      -9.999379      1.691041      1.904218
  C     -10.169510      1.229257      0.576134
  C      -9.048819      0.931023     -0.165840
  C      -7.768925      1.061518      0.422649
  N      -7.563291      1.483411      1.663512
  C      -8.666530      1.809419      2.389186
  C      -2.165927     -0.727949      4.314828
  C      -1.648637     -0.909020      2.867589
  C      -2.497371     -1.912676      2.091269
  O      -2.369829     -1.745053      0.652775
  C      -2.988985     -0.703986      0.098137
  N      -3.704508      0.142240      0.825202
  C      -4.286063      1.186643      0.172896
  N      -4.244540      1.462162     -1.111470
  C      -3.523861      0.584049     -1.880947
  C      -3.420831      0.777991     -3.278426
  C      -2.687865     -0.125385     -4.017921
  C      -2.065127     -1.213830     -3.361519
  N      -2.136402     -1.431107     -2.055449
  C      -2.854409     -0.543301     -1.326616
  C      -6.058976      0.484053      6.802783
  C      -5.920283     -1.022278      7.084152
  C      -7.054121     -1.805907      6.456387
  O      -6.817952     -1.816922      5.014069
  C      -7.862842     -1.740923      4.177980
  N      -9.076874     -1.475266      4.615988
  C     -10.074718     -1.436806      3.692543
  N      -9.988448     -1.692612      2.403875
  C      -8.733921     -1.979534      1.939291
  C      -8.531096     -2.292298      0.574207
  C      -7.248085     -2.532567      0.133705
  C      -6.175741     -2.450648      1.051274
  N      -6.323566     -2.185103      2.342065
  C      -7.588710     -1.968876      2.782792
  H      -4.488655      5.035803      3.122371
  H      -5.226768      3.439374      2.916173
  H      -6.024430      5.531143      5.036529
  H      -6.894258      5.142923      3.547469
  H      -7.963365      4.011623      5.504563
  H      -6.409807      3.204437      5.892268
  H     -11.665085      2.794041      4.487649
  H     -11.180214      1.130310      0.177705
  H      -9.130933      0.588968     -1.198327
  H      -6.880313      0.808362     -0.160811
  H      -1.555056     -1.313684      5.024621
  H      -3.183364     -1.146721      4.382716
  H      -0.593026     -1.215011      2.853174
  H      -1.717586      0.068909      2.373955
  H      -3.560120     -1.829661      2.364751
  H      -2.173345     -2.947524      2.257286
  H      -4.859832      1.869089      0.809039
  H      -3.922079      1.635724     -3.729477
  H      -2.580284     -0.015063     -5.097724
  H      -1.483117     -1.936181     -3.941345
  H      -6.564151      0.621371      5.834803
  H      -6.721744      0.947389      7.558387
  H      -4.964360     -1.383798      6.670672
  H      -5.900015     -1.226726      8.164881
  H      -8.038849     -1.364852      6.658166
  H      -7.058840     -2.856870      6.778778
  H     -11.059505     -1.160564      4.080738
  H      -9.396986     -2.328943     -0.087652
  H      -7.044026     -2.777298     -0.909115
  H      -5.153832     -2.622483      0.701675
  N      -5.037936      0.659289      3.535990
  H      -4.446847      0.300141      2.762820
  H      -5.776481      1.212080      3.070042
  H      -5.526158     -0.165306      3.910591
99
Coordinates from ORCA-job orca E -6478.831052161621
  N      -3.963840      3.597849      4.579713
  Mo     -3.839323      1.693799      5.121986
  N      -4.809491      1.222733      6.756948
  C      -4.148310      1.437832      8.042594
  C      -3.241662      2.656447      7.921341
  N      -2.485146      2.596547      6.636518
  C      -2.133353      3.957251      6.133579
  C      -3.344186      4.584249      5.465293
  C      -1.277060      1.725620      6.736780
  C      -0.966107      1.153492      5.358378
  N      -2.210151      0.629005      4.789793
  H      -3.015117      5.470719      4.892530
  H      -4.057835      4.955991      6.226956
  H      -1.338237      3.830108      5.386154
  H      -1.741522      4.578751      6.955835
  H      -0.208718      0.358170      5.453199
  H      -0.524843      1.930547      4.708341
  H      -1.523722      0.898499      7.417074
  H      -0.433836      2.293430      7.165688
  H      -4.894646      1.627272      8.835000
  H      -3.573349      0.545917      8.357123
  H      -3.862689      3.561850      7.889083
  H      -2.544756      2.745156      8.770993
  C      -4.920812      4.177790      3.640148
  C      -6.209309      4.718714      4.290957
  C      -6.987906      3.663921      5.060583
  O      -7.271175      2.561212      4.148283
  C      -8.524828      2.385064      3.704717
  N      -9.564594      2.748392      4.426534
  C     -10.795201      2.509881      3.895201
  N     -11.079531      2.003302      2.712388
  C     -10.004462      1.664801      1.938526
  C     -10.190428      1.189204      0.617266
  C      -9.078332      0.888254     -0.136709
  C      -7.790623      1.029691      0.433650
  N      -7.570553      1.465506      1.666846
  C      -8.665753      1.793962      2.403323
  C      -2.171672     -0.747426      4.308373
  C      -1.656192     -0.891973      2.857228
  C      -2.491657     -1.896987      2.068642
  O      -2.360095     -1.716376      0.632520
  C      -2.988147     -0.678037      0.082999
  N      -3.718095      0.154091      0.812274
  C      -4.309325      1.195887      0.164287
  N      -4.262787      1.482772     -1.117359
  C      -3.525118      0.620376     -1.888631
  C      -3.413476      0.828472     -3.283312
  C      -2.663403     -0.059235     -4.024830
  C      -2.032583     -1.145934     -3.373530
  N      -2.111510     -1.376024     -2.070148
  C      -2.846197     -0.503552     -1.339510
  C      -6.078107      0.510666      6.799309
  C      -5.955309     -0.994505      7.095047
  C      -7.091101     -1.772911      6.463931
  O      -6.843610     -1.796158      5.023024
  C      -7.886026     -1.742652      4.181265
  N      -9.105585     -1.490290      4.611253
  C     -10.100048     -1.475470      3.683365
  N     -10.005606     -1.743673      2.397582
  C      -8.744450     -2.016610      1.941556
  C      -8.530383     -2.339613      0.580250
  C      -7.242167     -2.565240      0.147298
  C      -6.175112     -2.457927      1.068550
  N      -6.332952     -2.182461      2.356339
  C      -7.603018     -1.980782      2.789157
  H      -4.436066      5.003799      3.086183
  H      -5.192549      3.415058      2.896923
  H      -5.978272      5.542279      4.985659
  H      -6.847954      5.144124      3.500328
  H      -7.930214      4.045470      5.471018
  H      -6.383667      3.232485      5.871372
  H     -11.639787      2.785846      4.533188
  H     -11.206249      1.082082      0.234018
  H      -9.171985      0.534254     -1.163870
  H      -6.908708      0.773222     -0.159142
  H      -1.561375     -1.354093      5.000985
  H      -3.190409     -1.164634      4.364411
  H      -0.595387     -1.178671      2.833187
  H      -1.744394      0.092389      2.378625
  H      -3.556008     -1.825187      2.339210
  H      -2.158968     -2.930290      2.227534
  H      -4.896831      1.865782      0.801304
  H      -3.921741      1.684083     -3.730354
  H      -2.548498      0.062554     -5.102533
  H      -1.436969     -1.855884     -3.955019
  H      -6.571316      0.643258      5.824748
  H      -6.744962      0.985256      7.544183
  H      -4.999565     -1.369858      6.693926
  H      -5.947583     -1.189583      8.177822
  H      -8.072706     -1.320829      6.654966
  H      -7.109144     -2.821656      6.793437
  H     -11.089659     -1.208721      4.065101
  H      -9.392454     -2.394398     -0.085214
  H      -7.030418     -2.816510     -0.892655
  H      -5.148960     -2.615543      0.724412
  N      -5.027562      0.652289      3.536442
  H      -4.439849      0.320454      2.748772
  H      -5.779756      1.203230      3.091494
  H      -5.498033     -0.188266      3.896686
99
Coordinates from ORCA-job orca E -6478.831899924272
  N      -3.933610      3.572666      4.560783
  Mo     -3.832573      1.674734      5.128449
  N      -4.823095      1.239701      6.761074
  C      -4.171189      1.465880      8.049355
  C      -3.250056      2.672469      7.917547
  N      -2.482207      2.583396      6.641216
  C      -2.107235      3.930536      6.120277
  C      -3.302510      4.565109      5.431661
  C      -1.286659      1.698511      6.767147
  C      -0.968095      1.098331      5.402086
  N      -2.214012      0.586196      4.827196
  H      -2.952714      5.433238      4.843422
  H      -4.015157      4.965526      6.179227
  H      -1.308056      3.780575      5.381494
  H      -1.712340      4.558575      6.936166
  H      -0.228267      0.289561      5.522370
  H      -0.501434      1.855441      4.745486
  H      -1.550824      0.886378      7.458735
  H      -0.439938      2.262351      7.194605
  H      -4.923317      1.675405      8.831012
  H      -3.608567      0.572575      8.381784
  H      -3.861709      3.583173      7.863937
  H      -2.560182      2.767885      8.772252
  C      -4.876999      4.152720      3.607144
  C      -6.162306      4.719535      4.241931
  C      -6.956067      3.685555      5.023942
  O      -7.249418      2.573719      4.126219
  C      -8.509148      2.382450      3.707908
  N      -9.538901      2.742989      4.445396
  C     -10.777006      2.486075      3.940130
  N     -11.078825      1.963821      2.768518
  C     -10.014859      1.627675      1.978057
  C     -10.220410      1.135802      0.665721
  C      -9.119520      0.835808     -0.104772
  C      -7.822963      0.993466      0.441058
  N      -7.584878      1.446004      1.664535
  C      -8.669153      1.774392      2.416210
  C      -2.176844     -0.772572      4.302310
  C      -1.664123     -0.873173      2.847330
  C      -2.485369     -1.875983      2.041769
  O      -2.346966     -1.678369      0.608746
  C      -2.984529     -0.643936      0.062314
  N      -3.735507      0.171038      0.789889
  C      -4.337368      1.207705      0.142858
  N      -4.280456      1.506282     -1.135487
  C      -3.518286      0.663227     -1.904527
  C      -3.391412      0.886386     -3.295206
  C      -2.617101      0.017882     -4.034482
  C      -1.977636     -1.064905     -3.385219
  N      -2.070189     -1.308650     -2.085447
  C      -2.828491     -0.454644     -1.356878
  C      -6.098698      0.540428      6.798577
  C      -5.996711     -0.962664      7.111584
  C      -7.136460     -1.732990      6.478308
  O      -6.877366     -1.769581      5.039609
  C      -7.916298     -1.740970      4.193252
  N      -9.142179     -1.507804      4.615858
  C     -10.133646     -1.520586      3.684395
  N     -10.029802     -1.800091      2.401339
  C      -8.761365     -2.052002      1.952969
  C      -8.535452     -2.382771      0.595263
  C      -7.241423     -2.586061      0.168387
  C      -6.180006     -2.448170      1.092187
  N      -6.348180     -2.164972      2.377284
  C      -7.623700     -1.985897      2.804179
  H      -4.375896      4.962889      3.044442
  H      -5.153566      3.383895      2.871713
  H      -5.924301      5.549987      4.926388
  H      -6.792458      5.142243      3.443036
  H      -7.895473      4.083127      5.426062
  H      -6.358855      3.260928      5.843924
  H     -11.612550      2.760311      4.591078
  H     -11.242058      1.015918      0.302644
  H      -9.227830      0.468561     -1.125587
  H      -6.949598      0.736860     -0.164453
  H      -1.565731     -1.401658      4.973892
  H      -3.196230     -1.189364      4.346038
  H      -0.598387     -1.139964      2.812819
  H      -1.771553      0.118887      2.388280
  H      -3.551539     -1.815944      2.307955
  H      -2.144520     -2.907894      2.191802
  H      -4.945504      1.861660      0.777092
  H      -3.907657      1.738028     -3.740795
  H      -2.489764      0.152086     -5.109079
  H      -1.362926     -1.759719     -3.964960
  H      -6.579407      0.667123      5.817094
  H      -6.768171      1.029702      7.531434
  H      -5.041808     -1.354724      6.725063
  H      -6.003577     -1.146190      8.196369
  H      -8.113805     -1.267241      6.657949
  H      -7.171025     -2.778562      6.816122
  H     -11.129265     -1.267872      4.060212
  H      -9.393702     -2.460112     -0.073119
  H      -7.021339     -2.842184     -0.868727
  H      -5.149466     -2.585728      0.752213
  N      -5.017062      0.647696      3.533605
  H      -4.432017      0.337126      2.734365
  H      -5.775525      1.203666      3.105827
  H      -5.480806     -0.204775      3.875554
99
Coordinates from ORCA-job orca E -6478.832760772808
  N      -3.899889      3.553338      4.542265
  Mo     -3.824139      1.659765      5.133029
  N      -4.836648      1.257408      6.760815
  C      -4.194713      1.492893      8.052290
  C      -3.259688      2.687540      7.912805
  N      -2.478776      2.571671      6.646232
  C      -2.079428      3.905709      6.111474
  C      -3.258350      4.548292      5.402561
  C      -1.297034      1.671483      6.799390
  C      -0.969713      1.044900      5.448176
  N      -2.216695      0.547473      4.864248
  H      -2.889430      5.399831      4.801541
  H      -3.970606      4.973788      6.136382
  H      -1.274388      3.733806      5.383703
  H      -1.683467      4.539156      6.922760
  H      -0.249118      0.222722      5.594782
  H      -0.476212      1.781008      4.786955
  H      -1.582079      0.875061      7.500560
  H      -0.447406      2.229726      7.228121
  H      -4.952791      1.720075      8.823072
  H      -3.643844      0.598318      8.400860
  H      -3.861497      3.603538      7.838888
  H      -2.577830      2.787763      8.773501
  C      -4.827879      4.135612      3.575500
  C      -6.109372      4.726552      4.195209
  C      -6.919071      3.710996      4.984405
  O      -7.222336      2.595615      4.095614
  C      -8.487769      2.384868      3.707513
  N      -9.505932      2.741001      4.462888
  C     -10.750996      2.462457      3.987882
  N     -11.071812      1.921732      2.829928
  C     -10.020155      1.589267      2.020413
  C     -10.247689      1.076843      0.720239
  C      -9.159976      0.779415     -0.069659
  C      -7.854056      0.960640      0.445573
  N      -7.596042      1.433952      1.656945
  C      -8.667922      1.759215      2.426956
  C      -2.185157     -0.793693      4.298844
  C      -1.674624     -0.853241      2.841622
  C      -2.482669     -1.852897      2.020107
  O      -2.335893     -1.640148      0.590079
  C      -2.982130     -0.609772      0.047144
  N      -3.751942      0.188071      0.774352
  C      -4.366090      1.218134      0.129031
  N      -4.301336      1.527837     -1.146546
  C      -3.515845      0.705404     -1.914594
  C      -3.375873      0.943568     -3.301561
  C      -2.578309      0.095471     -4.039664
  C      -1.928978     -0.982615     -3.393065
  N      -2.033341     -1.239977     -2.096622
  C      -2.814207     -0.405503     -1.368949
  C      -6.118202      0.570735      6.791073
  C      -6.035798     -0.930070      7.119245
  C      -7.179588     -1.693169      6.485865
  O      -6.911948     -1.743264      5.048405
  C      -7.947917     -1.741335      4.198183
  N      -9.179224     -1.525648      4.613598
  C     -10.167863     -1.569132      3.680071
  N     -10.054403     -1.865536      2.401343
  C      -8.780087     -2.097413      1.960046
  C      -8.543328     -2.441029      0.607347
  C      -7.244136     -2.622024      0.185372
  C      -6.188573     -2.447880      1.109162
  N      -6.366007     -2.152032      2.390528
  C      -7.646232     -1.996480      2.813016
  H      -4.308848      4.929482      3.005806
  H      -5.108372      3.362872      2.845884
  H      -5.863362      5.561120      4.871834
  H      -6.730700      5.149504      3.389742
  H      -7.855104      4.122842      5.380016
  H      -6.329757      3.288141      5.810847
  H     -11.575769      2.735058      4.653278
  H     -11.275696      0.939064      0.382090
  H      -9.285130      0.395162     -1.082408
  H      -6.990785      0.705535     -0.174688
  H      -1.575795     -1.446671      4.948922
  H      -3.206730     -1.206063      4.331123
  H      -0.604753     -1.102013      2.798337
  H      -1.797626      0.145323      2.400336
  H      -3.550812     -1.801774      2.279496
  H      -2.136402     -2.883796      2.163170
  H      -4.993388      1.855126      0.761855
  H      -3.900819      1.790461     -3.745425
  H      -2.440285      0.242425     -5.111499
  H      -1.295752     -1.661514     -3.971801
  H      -6.586274      0.693067      5.803008
  H      -6.791333      1.072062      7.512645
  H      -5.081865     -1.336343      6.745753
  H      -6.055711     -1.103146      8.205903
  H      -8.152928     -1.215735      6.655615
  H      -7.228141     -2.735490      6.832040
  H     -11.168487     -1.328047      4.049831
  H      -9.396877     -2.545338     -0.063105
  H      -7.016475     -2.887486     -0.848044
  H      -5.154434     -2.564910      0.771754
  N      -5.009107      0.647985      3.526962
  H      -4.429785      0.359713      2.714813
  H      -5.772656      1.212597      3.119150
  H      -5.468723     -0.215866      3.846200
99
Coordinates from ORCA-job orca E -6478.833629556929
  N      -3.865009      3.530499      4.521097
  Mo     -3.816240      1.642424      5.136498
  N      -4.853602      1.276250      6.758075
  C      -4.222623      1.522644      8.052698
  C      -3.272263      2.704101      7.904972
  N      -2.476613      2.557216      6.650363
  C      -2.049712      3.875854      6.100025
  C      -3.210756      4.527048      5.369513
  C      -1.311612      1.640548      6.834815
  C      -0.974526      0.985347      5.499825
  N      -2.221581      0.504124      4.903560
  H      -2.822695      5.360799      4.755345
  H      -3.920137      4.979001      6.090082
  H      -1.238655      3.679034      5.385277
  H      -1.652450      4.515814      6.905592
  H      -0.275778      0.149633      5.675483
  H      -0.451560      1.697602      4.834748
  H      -1.620112      0.862139      7.545834
  H      -0.459187      2.192530      7.265784
  H      -4.985879      1.769608      8.812248
  H      -3.685129      0.627179      8.419648
  H      -3.862501      3.625470      7.807633
  H      -2.600000      2.810497      8.772563
  C      -4.777679      4.114303      3.540731
  C      -6.053269      4.732571      4.145589
  C      -6.881641      3.740112      4.942930
  O      -7.196202      2.621165      4.063052
  C      -8.468090      2.386676      3.712070
  N      -9.470958      2.735091      4.490538
  C     -10.723553      2.429980      4.052714
  N     -11.066972      1.868362      2.911211
  C     -10.031371      1.542828      2.077506
  C     -10.285062      1.009118      0.791401
  C      -9.213607      0.720622     -0.024334
  C      -7.897642      0.931662      0.452218
  N      -7.615761      1.425422      1.650086
  C      -8.671961      1.742420      2.444798
  C      -2.191473     -0.817589      4.295452
  C      -1.679626     -0.829693      2.837906
  C      -2.466839     -1.826981      1.995501
  O      -2.307179     -1.596469      0.569690
  C      -2.966377     -0.573646      0.028460
  N      -3.759170      0.204025      0.753166
  C      -4.391265      1.223202      0.107728
  N      -4.320857      1.541893     -1.165105
  C      -3.507820      0.743495     -1.930051
  C      -3.357561      0.994458     -3.313352
  C      -2.532937      0.169878     -4.048301
  C      -1.866942     -0.898304     -3.402044
  N      -1.980231     -1.167144     -2.108963
  C      -2.787475     -0.355369     -1.384106
  C      -6.142405      0.604842      6.780916
  C      -6.081044     -0.893111      7.125843
  C      -7.228359     -1.648397      6.491031
  O      -6.950430     -1.710580      5.055842
  C      -7.981410     -1.736130      4.201458
  N      -9.218644     -1.541780      4.610257
  C     -10.203730     -1.617779      3.675161
  N     -10.079466     -1.929505      2.400945
  C      -8.799051     -2.137163      1.965761
  C      -8.551496     -2.491461      0.618076
  C      -7.247021     -2.645887      0.200520
  C      -6.197761     -2.433428      1.123692
  N      -6.384416     -2.126589      2.401255
  C      -7.669343     -1.998704      2.820247
  H      -4.241979      4.891887      2.964019
  H      -5.064253      3.337523      2.817812
  H      -5.797075      5.572042      4.812060
  H      -6.664457      5.154196      3.331850
  H      -7.813636      4.168849      5.330130
  H      -6.302085      3.318324      5.776564
  H     -11.534295      2.697940      4.736681
  H     -11.319223      0.849442      0.483596
  H      -9.359332      0.321451     -1.028315
  H      -7.046106      0.685100     -0.188114
  H      -1.583665     -1.493506      4.923171
  H      -3.213995     -1.228267      4.313364
  H      -0.604832     -1.055159      2.788817
  H      -1.821892      0.175985      2.419000
  H      -3.537796     -1.789233      2.244334
  H      -2.111369     -2.855572      2.131238
  H      -5.041284      1.839583      0.737938
  H      -3.896546      1.832543     -3.757394
  H      -2.386434      0.327714     -5.117312
  H      -1.212209     -1.558777     -3.978194
  H      -6.597332      0.720955      5.785952
  H      -6.818906      1.120618      7.489342
  H      -5.127679     -1.313132      6.766316
  H      -6.114448     -1.054962      8.213984
  H      -8.198156     -1.159456      6.649333
  H      -7.291530     -2.687036      6.845672
  H     -11.210292     -1.392342      4.039149
  H      -9.400398     -2.624762     -0.053906
  H      -7.011140     -2.918598     -0.829137
  H      -5.160485     -2.526613      0.788139
  N      -5.001757      0.643835      3.519177
  H      -4.427881      0.369109      2.696800
  H      -5.765366      1.219399      3.126537
  H      -5.462578     -0.227719      3.818913
99
Coordinates from ORCA-job orca E -6478.834521157112
  N      -3.823594      3.508957      4.498160
  Mo     -3.807131      1.626649      5.138432
  N      -4.868962      1.297621      6.753342
  C      -4.248936      1.553450      8.051053
  C      -3.281611      2.720097      7.896088
  N      -2.471965      2.540708      6.654179
  C      -2.015437      3.843221      6.089954
  C      -3.157937      4.503992      5.339017
  C      -1.326339      1.606021      6.870195
  C      -0.980228      0.923723      5.551858
  N      -2.226642      0.461746      4.941243
  H      -2.752067      5.322719      4.715888
  H      -3.863815      4.978454      6.048310
  H      -1.198760      3.621243      5.389258
  H      -1.616768      4.488743      6.890372
  H      -0.305023      0.074486      5.755035
  H      -0.427648      1.611582      4.884998
  H      -1.660619      0.846056      7.588985
  H      -0.471167      2.149723      7.305442
  H      -5.015699      1.821004      8.800108
  H      -3.726742      0.656453      8.436116
  H      -3.857924      3.647506      7.775690
  H      -2.618927      2.831590      8.770377
  C      -4.719081      4.097424      3.503991
  C      -5.989837      4.740385      4.092785
  C      -6.842673      3.768921      4.889425
  O      -7.165520      2.650463      4.011695
  C      -8.442428      2.385594      3.702785
  N      -9.427725      2.718159      4.510444
  C     -10.686326      2.379893      4.115646
  N     -11.051945      1.797473      2.991753
  C     -10.034907      1.486641      2.128573
  C     -10.316246      0.930184      0.858758
  C      -9.264542      0.655940      0.012809
  C      -7.940314      0.905260      0.443375
  N      -7.632547      1.421687      1.625396
  C      -8.670131      1.723795      2.449984
  C      -2.198064     -0.841168      4.293513
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  C      -2.449415     -1.801524      1.971951
  O      -2.276187     -1.550704      0.551534
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  N      -3.771257      0.214126      0.734172
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  N      -4.344164      1.552050     -1.180660
  C      -3.499829      0.783739     -1.941999
  C      -3.335850      1.052319     -3.320917
  C      -2.479572      0.257553     -4.052121
  C      -1.795669     -0.799416     -3.406202
  N      -1.920979     -1.084047     -2.117287
  C      -2.759082     -0.301275     -1.395677
  C      -6.165506      0.642720      6.770476
  C      -6.124402     -0.852214      7.131062
  C      -7.277842     -1.599507      6.499134
  O      -6.996565     -1.673353      5.065052
  C      -8.024591     -1.730317      4.210038
  N      -9.266562     -1.563252      4.617230
  C     -10.249596     -1.677061      3.684366
  N     -10.116518     -2.004653      2.415172
  C      -8.831868     -2.181708      1.980729
  C      -8.576486     -2.546403      0.637703
  C      -7.268283     -2.666483      0.219728
  C      -6.224717     -2.408376      1.137348
  N      -6.417945     -2.091058      2.411263
  C      -7.705638     -1.998302      2.831954
  H      -4.166549      4.861785      2.925384
  H      -5.010727      3.320247      2.783778
  H      -5.725504      5.581339      4.754111
  H      -6.586114      5.163811      3.268709
  H      -7.771592      4.213909      5.264823
  H      -6.277977      3.343815      5.731662
  H     -11.480999      2.636932      4.822408
  H     -11.355215      0.740744      0.586831
  H      -9.433572      0.239149     -0.980633
  H      -7.103251      0.671104     -0.220050
  H      -1.592139     -1.538005      4.899582
  H      -3.221282     -1.250246      4.298301
  H      -0.605535     -1.008730      2.783345
  H      -1.847729      0.205294      2.442670
  H      -3.523116     -1.778915      2.209215
  H      -2.083075     -2.827315      2.099453
  H      -5.096895      1.813198      0.716700
  H      -3.889809      1.880376     -3.765100
  H      -2.321573      0.430068     -5.117730
  H      -1.115821     -1.436625     -3.979289
  H      -6.610381      0.753176      5.770399
  H      -6.842979      1.173336      7.467181
  H      -5.173350     -1.284943      6.780711
  H      -6.165558     -1.002660      8.220665
  H      -8.243446     -1.099723      6.650335
  H      -7.353791     -2.634337      6.862840
  H     -11.261387     -1.471737      4.045640
  H      -9.421333     -2.714756     -0.031598
  H      -7.025702     -2.945930     -0.806423
  H      -5.185977     -2.471673      0.799787
  N      -4.998627      0.645815      3.508856
  H      -4.433017      0.382089      2.677061
  H      -5.757711      1.237110      3.133101
  H      -5.466925     -0.229857      3.786961
99
Coordinates from ORCA-job orca E -6478.835428227580
  N      -3.783095      3.486513      4.475407
  Mo     -3.799341      1.611606      5.139744
  N      -4.887337      1.320248      6.746108
  C      -4.279368      1.585308      8.047243
  C      -3.293452      2.735629      7.887173
  N      -2.469906      2.522383      6.659423
  C      -1.982809      3.807985      6.081495
  C      -3.105779      4.479051      5.309741
  C      -1.344949      1.570601      6.906894
  C      -0.989589      0.863811      5.605058
  N      -2.233492      0.421178      4.976924
  H      -2.680977      5.283313      4.680225
  H      -3.808214      4.974565      6.008326
  H      -1.161302      3.560406      5.395186
  H      -1.582745      4.458595      6.877077
  H      -0.337434      0.002548      5.832651
  H      -0.408866      1.529817      4.939702
  H      -1.704759      0.828034      7.631284
  H      -0.487584      2.105744      7.347786
  H      -5.049465      1.874250      8.784977
  H      -3.774650      0.686524      8.451329
  H      -3.853602      3.669338      7.742898
  H      -2.640956      2.851930      8.768376
  C      -4.661640      4.079164      3.468126
  C      -5.927197      4.746326      4.040779
  C      -6.803287      3.795512      4.836198
  O      -7.133967      2.679065      3.958207
  C      -8.414053      2.380287      3.696378
  N      -9.377916      2.695025      4.536235
  C     -10.640731      2.322149      4.187587
  N     -11.029491      1.719707      3.082224
  C     -10.035516      1.426706      2.186278
  C     -10.346417      0.850019      0.932653
  C      -9.317887      0.595083      0.052329
  C      -7.987169      0.884846      0.432667
  N      -7.651443      1.420454      1.598788
  C      -8.667080      1.702872      2.457397
  C      -2.201301     -0.862254      4.289575
  C      -1.682713     -0.780542      2.836708
  C      -2.414555     -1.775954      1.947128
  O      -2.225506     -1.502683      0.533654
  C      -2.922527     -0.503436     -0.003925
  N      -3.769826      0.219307      0.715763
  C      -4.448106      1.209540      0.071181
  N      -4.368904      1.550008     -1.195646
  C      -3.493516      0.814614     -1.953961
  C      -3.326147      1.097089     -3.329638
  C      -2.438745      0.334707     -4.058223
  C      -1.727138     -0.704221     -3.412505
  N      -1.854765     -1.001130     -2.126854
  C      -2.723414     -0.250275     -1.407768
  C      -6.192804      0.683886      6.757983
  C      -6.173407     -0.808006      7.134246
  C      -7.332786     -1.546385      6.503631
  O      -7.046013     -1.631723      5.071522
  C      -8.070277     -1.720522      4.215762
  N      -9.316671     -1.583954      4.622135
  C     -10.295689     -1.734368      3.690693
  N     -10.152971     -2.073607      2.425624
  C      -8.864124     -2.218038      1.991746
  C      -8.599224     -2.590041      0.652640
  C      -7.287801     -2.673283      0.235019
  C      -6.251908     -2.370850      1.148331
  N      -6.453698     -2.046428      2.419185
  C      -7.743513     -1.990524      2.840352
  H      -4.094333      4.832051      2.888967
  H      -4.958944      3.301626      2.751090
  H      -5.655240      5.588434      4.696973
  H      -6.508266      5.170510      3.206478
  H      -7.728996      4.256585      5.199598
  H      -6.253498      3.367465      5.686915
  H     -11.416292      2.565752      4.919370
  H     -11.388451      0.628673      0.699485
  H      -9.511972      0.163746     -0.930440
  H      -7.167186      0.667913     -0.257702
  H      -1.597099     -1.576706      4.876513
  H      -3.223991     -1.272526      4.277318
  H      -0.597849     -0.951203      2.784166
  H      -1.872091      0.236987      2.468297
  H      -3.491487     -1.775166      2.169290
  H      -2.030927     -2.796503      2.067062
  H      -5.146274      1.774489      0.697681
  H      -3.902393      1.909835     -3.773975
  H      -2.277188      0.518619     -5.121221
  H      -1.022431     -1.315810     -3.983533
  H      -6.628024      0.788456      5.753102
  H      -6.869753      1.231126      7.442376
  H      -5.225644     -1.254461      6.791846
  H      -6.221115     -0.946886      8.225120
  H      -8.293626     -1.034572      6.646450
  H      -7.422982     -2.577138      6.875949
  H     -11.312861     -1.552309      4.049182
  H      -9.438875     -2.792704     -0.014072
  H      -7.037084     -2.956038     -0.788315
  H      -5.212159     -2.401982      0.809760
  N      -4.995974      0.641745      3.501388
  H      -4.437881      0.385069      2.661984
  H      -5.750143      1.246644      3.140113
  H      -5.470589     -0.236095      3.764237
99
Coordinates from ORCA-job orca E -6478.836368850517
  N      -3.740445      3.460643      4.451578
  Mo     -3.791405      1.595334      5.139060
  N      -4.904644      1.341482      6.736197
  C      -4.309273      1.615054      8.040927
  C      -3.303613      2.747572      7.878011
  N      -2.468065      2.500268      6.664942
  C      -1.950660      3.768589      6.073819
  C      -3.053022      4.450124      5.281365
  C      -1.363538      1.533562      6.940865
  C      -0.999664      0.805743      5.654313
  N      -2.239620      0.381827      5.007871
  H      -2.607635      5.240731      4.649146
  H      -3.752800      4.964808      5.969144
  H      -1.126093      3.496148      5.400958
  H      -1.548697      4.423168      6.865126
  H      -0.369010     -0.066081      5.901441
  H      -0.393769      1.453488      4.992920
  H      -1.745743      0.805635      7.668737
  H      -0.504410      2.060417      7.387833
  H      -5.082184      1.925969      8.766786
  H      -3.824370      0.714177      8.464447
  H      -3.846047      3.687431      7.710416
  H      -2.660928      2.868399      8.765595
  C      -4.600226      4.058850      3.430708
  C      -5.862781      4.748823      3.983267
  C      -6.768263      3.818819      4.770870
  O      -7.106552      2.706882      3.888692
  C      -8.387479      2.373706      3.677190
  N      -9.325494      2.666519      4.553798
  C     -10.590698      2.258996      4.254230
  N     -11.003127      1.640645      3.166727
  C     -10.037532      1.370138      2.234108
  C     -10.379655      0.777521      0.995923
  C      -9.378461      0.544749      0.078485
  C      -8.043767      0.874469      0.405548
  N      -7.677990      1.424866      1.555559
  C      -8.667639      1.684148      2.451107
  C      -2.198262     -0.883002      4.284900
  C      -1.675168     -0.755469      2.837115
  C      -2.368149     -1.754605      1.921951
  O      -2.164999     -1.453485      0.517409
  C      -2.891755     -0.473721     -0.018111
  N      -3.772986      0.209553      0.698916
  C      -4.483560      1.178922      0.055717
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  C      -2.395759      0.423363     -4.058828
  C      -1.649912     -0.592000     -3.413800
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  C      -6.219743      0.724419      6.746188
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  C      -7.389616     -1.492622      6.516028
  O      -7.097793     -1.591445      5.086794
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  N      -9.367501     -1.607097      4.639553
  C     -10.341077     -1.791931      3.709350
  N     -10.190020     -2.139165      2.447746
  C      -8.898044     -2.250962      2.012961
  C      -8.623991     -2.627208      0.676877
  C      -7.310941     -2.673560      0.259618
  C      -6.283505     -2.329931      1.168839
  N      -6.494038     -2.001395      2.436948
  C      -7.784490     -1.981975      2.858224
  H      -4.018894      4.803982      2.855712
  H      -4.901543      3.282527      2.714518
  H      -5.586553      5.589907      4.638650
  H      -6.422863      5.175691      3.136075
  H      -7.690903      4.298537      5.117228
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  H      -9.599312      0.101055     -0.892966
  H      -7.244447      0.676795     -0.314380
  H      -1.592784     -1.609021      4.855968
  H      -3.218520     -1.298572      4.256275
  H      -0.585047     -0.890068      2.787693
  H      -1.897968      0.264563      2.494808
  H      -3.447744     -1.783041      2.128882
  H      -1.960085     -2.767100      2.032665
  H      -5.208967      1.710019      0.680687
  H      -3.924699      1.935649     -3.777339
  H      -2.229739      0.623177     -5.118390
  H      -0.914748     -1.169027     -3.982442
  H      -6.647638      0.820382      5.737230
  H      -6.893388      1.291454      7.417596
  H      -5.280301     -1.226622      6.805743
  H      -6.272201     -0.886565      8.234872
  H      -8.344009     -0.966274      6.650989
  H      -7.496083     -2.518378      6.898353
  H     -11.362977     -1.635793      4.066039
  H      -9.458939     -2.860636      0.013590
  H      -7.052312     -2.956495     -0.761467
  H      -5.244030     -2.327685      0.829831
  N      -4.993296      0.635922      3.493810
  H      -4.441404      0.387262      2.649316
  H      -5.742393      1.252942      3.148194
  H      -5.474087     -0.242789      3.743191
99
Coordinates from ORCA-job orca E -6478.837329579603
  N      -3.695960      3.434526      4.429583
  Mo     -3.784602      1.581171      5.140083
  N      -4.924651      1.364419      6.725140
  C      -4.343577      1.645890      8.034453
  C      -3.316881      2.758795      7.871683
  N      -2.469493      2.479268      6.674267
  C      -1.921790      3.730122      6.072138
  C      -3.001695      4.421525      5.257411
  C      -1.385377      1.498544      6.977275
  C      -1.012055      0.752507      5.704460
  N      -2.246973      0.347266      5.037874
  H      -2.532963      5.197838      4.624814
  H      -3.702452      4.954376      5.930574
  H      -1.094851      3.433881      5.412458
  H      -1.518241      4.387380      6.860379
  H      -0.403454     -0.129576      5.969161
  H      -0.380847      1.383857      5.050003
  H      -1.789523      0.783041      7.706069
  H      -0.524938      2.016292      7.432453
  H      -5.121358      1.978674      8.745243
  H      -3.880474      0.742854      8.477577
  H      -3.840684      3.704805      7.681936
  H      -2.684360      2.882617      8.765969
  C      -4.534207      4.037435      3.394365
  C      -5.794770      4.748938      3.924298
  C      -6.725975      3.836979      4.703853
  O      -7.072511      2.730944      3.817227
  C      -8.351882      2.363831      3.659292
  N      -9.261193      2.637773      4.572141
  C     -10.527647      2.199703      4.322535
  N     -10.966367      1.568509      3.253274
  C     -10.033203      1.317021      2.284277
  C     -10.409172      0.710618      1.061805
  C      -9.438922      0.494240      0.108040
  C      -8.100845      0.855346      0.382678
  N      -7.702909      1.419693      1.515458
  C      -8.663084      1.661750      2.446362
  C      -2.196307     -0.896727      4.278598
  C      -1.667869     -0.726064      2.838275
  C      -2.321464     -1.729804      1.899517
  O      -2.106246     -1.401512      0.504005
  C      -2.863951     -0.443489     -0.029188
  N      -3.778164      0.197300      0.685712
  C      -4.524532      1.141228      0.044059
  N      -4.450916      1.507058     -1.215749
  C      -3.502926      0.860332     -1.966820
  C      -3.334989      1.179699     -3.334862
  C      -2.373330      0.506313     -4.057586
  C      -1.588641     -0.479844     -3.413569
  N      -1.714464     -0.809211     -2.135717
  C      -2.656552     -0.146811     -1.423110
  C      -6.248477      0.764752      6.730524
  C      -6.274607     -0.717122      7.148022
  C      -7.449124     -1.436885      6.523262
  O      -7.147932     -1.551465      5.097811
  C      -8.163460     -1.703617      4.241758
  N      -9.415861     -1.628043      4.647831
  C     -10.381406     -1.844785      3.716213
  N     -10.220263     -2.199003      2.457545
  C      -8.924334     -2.280689      2.025786
  C      -8.636153     -2.660328      0.692876
  C      -7.321372     -2.672186      0.279188
  C      -6.305931     -2.291325      1.187626
  N      -6.529717     -1.960172      2.453164
  C      -7.820947     -1.974452      2.870584
  H      -3.937050      4.773805      2.824375
  H      -4.837119      3.261153      2.678716
  H      -5.515378      5.588984      4.579619
  H      -6.335157      5.179096      3.066245
  H      -7.645147      4.334076      5.034867
  H      -6.216565      3.401888      5.577594
  H     -11.255512      2.410179      5.111121
  H     -11.451425      0.430952      0.909575
  H      -9.687379      0.039111     -0.851633
  H      -7.325537      0.670820     -0.366261
  H      -1.590560     -1.634542      4.834441
  H      -3.214856     -1.315200      4.231399
  H      -0.573470     -0.823739      2.794264
  H      -1.923724      0.293557      2.516264
  H      -3.403143     -1.787822      2.090247
  H      -1.888531     -2.733204      2.002575
  H      -5.277176      1.635850      0.667335
  H      -3.969156      1.948695     -3.778138
  H      -2.208063      0.720242     -5.114176
  H      -0.824416     -1.019794     -3.980322
  H      -6.665633      0.850719      5.716122
  H      -6.920342      1.351267      7.386611
  H      -5.339309     -1.199966      6.820142
  H      -6.329853     -0.823684      8.241897
  H      -8.395970     -0.894489      6.647479
  H      -7.574338     -2.456950      6.914937
  H     -11.407648     -1.711140      4.069079
  H      -9.463284     -2.921819      0.030635
  H      -7.052354     -2.954871     -0.739516
  H      -5.266312     -2.257337      0.851382
  N      -4.985067      0.626427      3.489692
  H      -4.434065      0.386331      2.642560
  H      -5.731437      1.251853      3.155677
  H      -5.468329     -0.253305      3.729524
99
Coordinates from ORCA-job orca E -6478.838291397534
  N      -3.650571      3.398373      4.405515
  Mo     -3.780691      1.561258      5.139430
  N      -4.944838      1.384303      6.712667
  C      -4.375121      1.673904      8.025392
  C      -3.325209      2.763568      7.862779
  N      -2.470256      2.450985      6.680479
  C      -1.892347      3.682508      6.065541
  C      -2.948055      4.383845      5.229487
  C      -1.405746      1.457862      7.005468
  C      -1.026520      0.695794      5.744265
  N      -2.256897      0.307865      5.060391
  H      -2.452225      5.142257      4.597397
  H      -3.649763      4.937191      5.884965
  H      -1.067533      3.361211      5.415474
  H      -1.483274      4.341218      6.849778
  H      -0.438116     -0.195798      6.021483
  H      -0.373496      1.313347      5.097164
  H      -1.826549      0.752105      7.735113
  H      -0.542588      1.965978      7.466785
  H      -5.156840      2.030247      8.719882
  H      -3.936803      0.768457      8.488329
  H      -3.828620      3.716076      7.652600
  H      -2.700869      2.889680      8.762204
  C      -4.461988      4.005382      3.353783
  C      -5.722780      4.742694      3.849365
  C      -6.690387      3.853904      4.611665
  O      -7.046387      2.757603      3.716529
  C      -8.320547      2.358274      3.615146
  N      -9.196093      2.610476      4.566583
  C     -10.462099      2.144141      4.368280
  N     -10.929662      1.504874      3.316953
  C     -10.034787      1.274968      2.309696
  C     -10.446721      0.659473      1.102075
  C      -9.510818      0.462553      0.110268
  C      -8.170183      0.853421      0.331071
  N      -7.738877      1.426342      1.446622
  C      -8.666222      1.648108      2.413568
  C      -2.192539     -0.916786      4.271035
  C      -1.659643     -0.706162      2.839203
  C      -2.267541     -1.713598      1.873812
  O      -2.044697     -1.343338      0.490710
  C      -2.841336     -0.411588     -0.035725
  N      -3.792411      0.172834      0.678667
  C      -4.581534      1.086887      0.042183
  N      -4.516344      1.472727     -1.212157
  C      -3.527163      0.886946     -1.960355
  C      -3.363734      1.234406     -3.322332
  C      -2.359831      0.622920     -4.043299
  C      -1.528977     -0.328053     -3.404306
  N      -1.649311     -0.682630     -2.132349
  C      -2.633621     -0.081896     -1.422482
  C      -6.278697      0.804759      6.720519
  C      -6.331968     -0.666690      7.172510
  C      -7.514905     -1.379411      6.553132
  O      -7.196428     -1.521969      5.135441
  C      -8.203330     -1.704985      4.275971
  N      -9.459271     -1.653026      4.674675
  C     -10.411876     -1.896038      3.736025
  N     -10.237411     -2.253380      2.479838
  C      -8.935822     -2.310874      2.057842
  C      -8.627982     -2.687380      0.727562
  C      -7.310563     -2.673065      0.325235
  C      -6.309793     -2.269332      1.241095
  N      -6.552505     -1.940420      2.503870
  C      -7.846243     -1.979242      2.908548
  H      -3.846927      4.732237      2.791020
  H      -4.764284      3.227449      2.639307
  H      -5.444395      5.580711      4.507953
  H      -6.232852      5.178310      2.975861
  H      -7.604723      4.376156      4.917953
  H      -6.213086      3.414827      5.502716
  H     -11.160685      2.336110      5.187712
  H     -11.487217      0.354396      0.991012
  H      -9.787325     -0.002050     -0.836624
  H      -7.421900      0.683973     -0.448734
  H      -1.582621     -1.660106      4.814940
  H      -3.207827     -1.341379      4.206999
  H      -0.562135     -0.762580      2.803324
  H      -1.952155      0.309475      2.533507
  H      -3.349558     -1.810837      2.048260
  H      -1.801616     -2.703669      1.962401
  H      -5.366044      1.533764      0.663602
  H      -4.033907      1.974644     -3.761795
  H      -2.195766      0.859835     -5.095073
  H      -0.730715     -0.817512     -3.970147
  H      -6.686376      0.872985      5.701073
  H      -6.944627      1.417601      7.357191
  H      -5.406682     -1.176448      6.857956
  H      -6.392091     -0.745574      8.268020
  H      -8.451462     -0.815864      6.659225
  H      -7.665326     -2.389623      6.960937
  H     -11.443190     -1.782942      4.080949
  H      -9.446584     -2.963464      0.060598
  H      -7.028015     -2.950439     -0.691351
  H      -5.268634     -2.208282      0.915359
  N      -4.982643      0.604494      3.493742
  H      -4.429920      0.369975      2.648104
  H      -5.728132      1.235183      3.168984
  H      -5.467759     -0.274276      3.732647
99
Coordinates from ORCA-job orca E -6478.839194742744
  N      -3.604994      3.371814      4.388032
  Mo     -3.773982      1.547548      5.142611
  N      -4.961980      1.406682      6.702094
  C      -4.405111      1.703917      8.019190
  C      -3.335933      2.774370      7.856910
  N      -2.470419      2.434946      6.689870
  C      -1.864674      3.648872      6.068099
  C      -2.898847      4.356332      5.210580
  C      -1.426937      1.428147      7.041269
  C      -1.038405      0.648515      5.792584
  N      -2.264099      0.276634      5.090615
  H      -2.382989      5.098742      4.575101
  H      -3.602324      4.927466      5.847873
  H      -1.038368      3.305619      5.431201
  H      -1.452907      4.309698      6.849161
  H      -0.473461     -0.252278      6.089576
  H      -0.360229      1.246576      5.152413
  H      -1.871024      0.736086      7.770197
  H      -0.563079      1.926196      7.512909
  H      -5.192330      2.080940      8.696454
  H      -3.987514      0.797707      8.499490
  H      -3.822547      3.731899      7.629060
  H      -2.721237      2.901440      8.763061
  C      -4.393505      3.979518      3.320727
  C      -5.651128      4.737914      3.792987
  C      -6.642851      3.869260      4.547020
  O      -7.011826      2.779633      3.650024
  C      -8.279047      2.348809      3.600400
  N      -9.125059      2.586283      4.582044
  C     -10.388288      2.093756      4.431821
  N     -10.882033      1.441816      3.400718
  C     -10.018729      1.224067      2.362865
  C     -10.461542      0.594468      1.174030
  C      -9.557463      0.405542      0.151968
  C      -8.216215      0.817139      0.325149
  N      -7.757615      1.407669      1.420925
  C      -8.654644      1.622690      2.416368
  C      -2.193501     -0.923381      4.265879
  C      -1.658785     -0.670853      2.842935
  C      -2.233744     -1.679799      1.859798
  O      -2.006824     -1.287156      0.483458
  C      -2.830637     -0.378728     -0.040779
  N      -3.807285      0.165445      0.670797
  C      -4.626622      1.052248      0.034853
  N      -4.566205      1.449641     -1.216168
  C      -3.547633      0.909585     -1.960256
  C      -3.384658      1.275228     -3.317084
  C      -2.350192      0.710829     -4.033144
  C      -1.488223     -0.211815     -3.394798
  N      -1.607411     -0.582805     -2.127490
  C      -2.622202     -0.028089     -1.422394
  C      -6.303243      0.844460      6.698129
  C      -6.387965     -0.618070      7.169534
  C      -7.577592     -1.316184      6.547128
  O      -7.246651     -1.482340      5.133689
  C      -8.247291     -1.696790      4.273306
  N      -9.505045     -1.665538      4.666918
  C     -10.450576     -1.942025      3.729605
  N     -10.265262     -2.314508      2.478821
  C      -8.960997     -2.348569      2.061390
  C      -8.639422     -2.734133      0.736975
  C      -7.321246     -2.695519      0.337062
  C      -6.332568     -2.258634      1.249586
  N      -6.587063     -1.920235      2.507741
  C      -7.880979     -1.982435      2.910223
  H      -3.759369      4.691110      2.759196
  H      -4.694746      3.199144      2.607906
  H      -5.368100      5.575707      4.450196
  H      -6.143453      5.177364      2.911180
  H      -7.550878      4.409702      4.840729
  H      -6.185542      3.426855      5.446945
  H     -11.060658      2.276340      5.275421
  H     -11.499923      0.271946      1.101150
  H      -9.857603     -0.070043     -0.782157
  H      -7.492270      0.652769     -0.478307
  H      -1.582826     -1.681706      4.788217
  H      -3.208142     -1.346790      4.186391
  H      -0.559803     -0.693163      2.811015
  H      -1.977952      0.339974      2.547516
  H      -3.314938     -1.802318      2.021716
  H      -1.747376     -2.660117      1.941598
  H      -5.432645      1.464719      0.652389
  H      -4.079220      1.992347     -3.756579
  H      -2.185607      0.964027     -5.081012
  H      -0.665070     -0.663344     -3.956545
  H      -6.692971      0.904084      5.671257
  H      -6.970489      1.474774      7.316576
  H      -5.469177     -1.149410      6.872584
  H      -6.463280     -0.680623      8.265271
  H      -8.504170     -0.733525      6.636736
  H      -7.752408     -2.317654      6.966158
  H     -11.483891     -1.843956      4.071892
  H      -9.448824     -3.035949      0.070518
  H      -7.030200     -2.979446     -0.675229
  H      -5.291757     -2.175570      0.925222
  N      -4.965732      0.598982      3.487479
  H      -4.408288      0.374891      2.640798
  H      -5.707667      1.237190      3.168060
  H      -5.455002     -0.281430      3.711288
99
Coordinates from ORCA-job orca E -6478.840107778921
  N      -3.568258      3.336019      4.375298
  Mo     -3.773539      1.527284      5.149846
  N      -4.975509      1.421021      6.700970
  C      -4.422974      1.726430      8.019525
  C      -3.335261      2.776908      7.852287
  N      -2.466598      2.412731      6.695505
  C      -1.837332      3.608989      6.064358
  C      -2.854317      4.321762      5.190776
  C      -1.442710      1.392129      7.065426
  C      -1.051151      0.599844      5.824442
  N      -2.275075      0.241395      5.109926
  H      -2.321065      5.044529      4.546176
  H      -3.556287      4.913740      5.809365
  H      -1.014902      3.243653      5.434089
  H      -1.415814      4.271357      6.838974
  H      -0.505199     -0.308519      6.135356
  H      -0.354260      1.181301      5.189161
  H      -1.906032      0.711818      7.793216
  H      -0.575887      1.877806      7.545083
  H      -5.212499      2.124225      8.682194
  H      -4.023998      0.819715      8.514225
  H      -3.806416      3.740235      7.612799
  H      -2.725239      2.902742      8.762201
  C      -4.334718      3.938648      3.291943
  C      -5.590659      4.718720      3.732999
  C      -6.617456      3.876672      4.468345
  O      -7.004222      2.799083      3.565882
  C      -8.264731      2.347263      3.561032
  N      -9.087471      2.579644      4.561819
  C     -10.349970      2.076293      4.445298
  N     -10.867293      1.419945      3.428494
  C     -10.026383      1.202372      2.371417
  C     -10.491661      0.565166      1.195918
  C      -9.608522      0.369441      0.157709
  C      -8.263984      0.781031      0.303018
  N      -7.787903      1.384302      1.384389
  C      -8.664834      1.607779      2.393463
  C      -2.199020     -0.935982      4.253723
  C      -1.657763     -0.646415      2.840957
  C      -2.198370     -1.653108      1.836843
  O      -1.972440     -1.227758      0.468343
  C      -2.820144     -0.338700     -0.049572
  N      -3.815901      0.168050      0.662082
  C      -4.660824      1.032903      0.030175
  N      -4.605770      1.444654     -1.217078
  C      -3.563971      0.947865     -1.959938
  C      -3.402781      1.334507     -3.310282
  C      -2.344918      0.813946     -4.023866
  C      -1.456881     -0.086299     -3.389835
  N      -1.573913     -0.476398     -2.128084
  C      -2.612782      0.035352     -1.425281
  C      -6.322978      0.876971      6.692247
  C      -6.438337     -0.570728      7.197023
  C      -7.632738     -1.261147      6.574902
  O      -7.285242     -1.460009      5.168721
  C      -8.276267     -1.704555      4.305360
  N      -9.536161     -1.692593      4.688758
  C     -10.472064     -1.995401      3.748885
  N     -10.271393     -2.373905      2.501752
  C      -8.964022     -2.386207      2.093828
  C      -8.625657     -2.768149      0.773298
  C      -7.305786     -2.708293      0.379661
  C      -6.331168     -2.254493      1.296182
  N      -6.600492     -1.916234      2.551687
  C      -7.895946     -1.997369      2.947395
  H      -3.681154      4.631546      2.729230
  H      -4.631216      3.151497      2.584403
  H      -5.306735      5.555230      4.391939
  H      -6.055801      5.164895      2.839756
  H      -7.514726      4.446082      4.741610
  H      -6.195434      3.425336      5.380588
  H     -11.001784      2.256555      5.305353
  H     -11.530625      0.240332      1.146938
  H      -9.923780     -0.114658     -0.767516
  H      -7.555081      0.609950     -0.511546
  H      -1.586640     -1.708418      4.753802
  H      -3.213039     -1.358051      4.160252
  H      -0.558484     -0.637712      2.818427
  H      -1.996543      0.358541      2.547017
  H      -3.276825     -1.805234      1.987644
  H      -1.689001     -2.621924      1.903921
  H      -5.485876      1.413217      0.643857
  H      -4.117647      2.033131     -3.746766
  H      -2.181726      1.085523     -5.067316
  H      -0.613977     -0.502630     -3.948890
  H      -6.694063      0.917750      5.657731
  H      -6.991336      1.529579      7.286910
  H      -5.525776     -1.125976      6.926087
  H      -6.531833     -0.607121      8.292983
  H      -8.550100     -0.660372      6.640576
  H      -7.832106     -2.250086      7.012127
  H     -11.507859     -1.911634      4.086740
  H      -9.423986     -3.084075      0.101481
  H      -7.004335     -2.989696     -0.630393
  H      -5.288733     -2.155062      0.978333
  N      -4.958365      0.580229      3.495281
  H      -4.395545      0.363369      2.649669
  H      -5.699431      1.221064      3.174362
  H      -5.449710     -0.302015      3.711289
99
Coordinates from ORCA-job orca E -6478.840944737592
  N      -3.532508      3.302445      4.357722
  Mo     -3.775223      1.507372      5.151198
  N      -4.989090      1.438652      6.695953
  C      -4.440087      1.749829      8.015188
  C      -3.332456      2.779020      7.843138
  N      -2.463253      2.386698      6.695879
  C      -1.808703      3.564424      6.056388
  C      -2.807679      4.284948      5.168441
  C      -1.462502      1.350097      7.084531
  C      -1.071914      0.540779      5.855486
  N      -2.293116      0.199560      5.129023
  H      -2.259240      4.990359      4.517340
  H      -3.502565      4.896853      5.774783
  H      -0.989776      3.177031      5.435171
  H      -1.378169      4.227781      6.825091
  H      -0.547720     -0.375486      6.181589
  H      -0.355986      1.101437      5.223377
  H      -1.947173      0.685573      7.812318
  H      -0.592390      1.822938      7.570005
  H      -5.226416      2.170280      8.667615
  H      -4.061759      0.841913      8.523273
  H      -3.784029      3.748571      7.592406
  H      -2.726215      2.902403      8.755840
  C      -4.275869      3.906694      3.256884
  C      -5.526153      4.706747      3.674149
  C      -6.587224      3.887616      4.383004
  O      -6.985816      2.829048      3.462049
  C      -8.233425      2.341925      3.503208
  N      -9.024258      2.553486      4.533333
  C     -10.278475      2.022138      4.460125
  N     -10.816706      1.355396      3.460855
  C     -10.006308      1.153092      2.376172
  C     -10.495090      0.500383      1.219413
  C      -9.641351      0.318314      0.153862
  C      -8.301883      0.759897      0.253500
  N      -7.806029      1.379215      1.316455
  C      -8.654483      1.590231      2.352708
  C      -2.210490     -0.956351      4.244480
  C      -1.661990     -0.627141      2.843846
  C      -2.162494     -1.628877      1.815438
  O      -1.933914     -1.169067      0.458443
  C      -2.807008     -0.301714     -0.053596
  N      -3.825311      0.159270      0.657006
  C      -4.696502      1.001760      0.030164
  N      -4.644996      1.432609     -1.211373
  C      -3.578953      0.986992     -1.951817
  C      -3.418218      1.401611     -3.294059
  C      -2.334815      0.933098     -4.004590
  C      -1.420614      0.055595     -3.375233
  N      -1.536284     -0.359537     -2.121162
  C      -2.600109      0.101447     -1.420824
  C      -6.345396      0.918264      6.685365
  C      -6.490011     -0.515487      7.222139
  C      -7.691262     -1.199016      6.605527
  O      -7.336059     -1.424479      5.206473
  C      -8.316917     -1.703259      4.345156
  N      -9.577367     -1.720868      4.726017
  C     -10.503612     -2.057078      3.787678
  N     -10.289294     -2.440405      2.544341
  C      -8.981852     -2.421752      2.138340
  C      -8.632510     -2.802290      0.821068
  C      -7.313797     -2.710473      0.429052
  C      -6.352539     -2.226786      1.344318
  N      -6.631886     -1.886998      2.597004
  C      -7.925525     -1.998553      2.991770
  H      -3.603637      4.585529      2.699515
  H      -4.570954      3.120034      2.548230
  H      -5.241371      5.536071      4.341640
  H      -5.961700      5.163344      2.771216
  H      -7.473569      4.480597      4.642248
  H      -6.198095      3.420217      5.301931
  H     -10.902851      2.187630      5.342445
  H     -11.527828      0.152915      1.205690
  H      -9.975621     -0.177755     -0.758591
  H      -7.613231      0.599478     -0.580941
  H      -1.597860     -1.740950      4.724091
  H      -3.222528     -1.379294      4.136765
  H      -0.563317     -0.587394      2.834503
  H      -2.023453      0.373276      2.561470
  H      -3.237589     -1.812521      1.951753
  H      -1.627948     -2.584746      1.868371
  H      -5.541911      1.341588      0.640877
  H      -4.154037      2.080617     -3.727045
  H      -2.171318      1.228007     -5.042016
  H      -0.556912     -0.319747     -3.931268
  H      -6.705290      0.940936      5.646390
  H      -7.009866      1.595138      7.257498
  H      -5.584214     -1.091728      6.972079
  H      -6.593660     -0.525666      8.317813
  H      -8.600847     -0.583648      6.652649
  H      -7.909631     -2.175741      7.060712
  H     -11.542053     -1.997888      4.123482
  H      -9.421187     -3.142725      0.148517
  H      -7.004116     -2.989117     -0.579229
  H      -5.312897     -2.101452      1.027494
  N      -4.966679      0.577409      3.490846
  H      -4.407766      0.367439      2.641514
  H      -5.700137      1.229986      3.178164
  H      -5.468290     -0.304876      3.689435
99
Coordinates from ORCA-job orca E -6478.841713469776
  N      -3.504676      3.280923      4.352982
  Mo     -3.781633      1.495396      5.151646
  N      -5.005012      1.450943      6.690197
  C      -4.461109      1.762128      8.012295
  C      -3.335837      2.773906      7.842244
  N      -2.465730      2.364605      6.701080
  C      -1.789914      3.529928      6.062008
  C      -2.771761      4.259827      5.161786
  C      -1.486851      1.311392      7.100851
  C      -1.094616      0.494884      5.878631
  N      -2.311427      0.170419      5.138623
  H      -2.209839      4.949951      4.505666
  H      -3.460399      4.888838      5.756742
  H      -0.972900      3.127890      5.447519
  H      -1.352310      4.189983      6.829275
  H      -0.588491     -0.428280      6.214233
  H      -0.362461      1.041180      5.252821
  H      -1.994315      0.657364      7.822119
  H      -0.615024      1.768935      7.597463
  H      -5.245057      2.200069      8.656131
  H      -4.101136      0.851197      8.527205
  H      -3.769413      3.750516      7.589190
  H      -2.733616      2.888261      8.758939
  C      -4.227560      3.882710      3.233732
  C      -5.472355      4.696995      3.630418
  C      -6.561216      3.896586      4.312902
  O      -6.981898      2.863746      3.371595
  C      -8.222526      2.359468      3.462021
  N      -8.976468      2.571678      4.519710
  C     -10.229570      2.033835      4.494056
  N     -10.800984      1.360196      3.517302
  C     -10.024283      1.146545      2.408913
  C     -10.545791      0.474764      1.277533
  C      -9.722308      0.273423      0.191045
  C      -8.380118      0.716927      0.245552
  N      -7.857726      1.358714      1.281378
  C      -8.675621      1.589501      2.338392
  C      -2.222651     -0.966752      4.231135
  C      -1.667483     -0.607546      2.840818
  C      -2.129002     -1.608340      1.792279
  O      -1.903089     -1.120162      0.443834
  C      -2.797666     -0.275586     -0.069116
  N      -3.837702      0.147280      0.633842
  C      -4.727073      0.970522      0.005136
  N      -4.672787      1.415404     -1.231605
  C      -3.585985      1.010322     -1.963873
  C      -3.419949      1.446593     -3.298857
  C      -2.313289      1.021212     -3.999779
  C      -1.381584      0.163195     -3.367871
  N      -1.501631     -0.271091     -2.120852
  C      -2.587535      0.148392     -1.428903
  C      -6.367043      0.946635      6.672427
  C      -6.538229     -0.471415      7.242103
  C      -7.737800     -1.152147      6.619248
  O      -7.362849     -1.405414      5.232432
  C      -8.327444     -1.710457      4.365303
  N      -9.591593     -1.737467      4.732630
  C     -10.504265     -2.092072      3.788319
  N     -10.272077     -2.482156      2.551310
  C      -8.961153     -2.455702      2.158675
  C      -8.597391     -2.839789      0.847945
  C      -7.275476     -2.739934      0.469252
  C      -6.327318     -2.245649      1.392010
  N      -6.620737     -1.899046      2.638874
  C      -7.917017     -2.017249      3.021231
  H      -3.537949      4.546176      2.679846
  H      -4.518322      3.093708      2.525793
  H      -5.190412      5.517112      4.309582
  H      -5.881109      5.166412      2.722235
  H      -7.431441      4.514344      4.571187
  H      -6.199121      3.405650      5.229962
  H     -10.822321      2.200494      5.397729
  H     -11.578602      0.127806      1.299665
  H     -10.081111     -0.239233     -0.703299
  H      -7.709604      0.538260     -0.600167
  H      -1.609932     -1.762365      4.691323
  H      -3.232498     -1.390935      4.112329
  H      -0.569915     -0.540150      2.846641
  H      -2.047983      0.386650      2.561912
  H      -3.199407     -1.826894      1.916771
  H      -1.566625     -2.549107      1.831678
  H      -5.588186      1.283035      0.607461
  H      -4.170438      2.108779     -3.733706
  H      -2.145081      1.334807     -5.031220
  H      -0.499093     -0.178635     -3.915107
  H      -6.711236      0.946871      5.628399
  H      -7.033344      1.644574      7.216319
  H      -5.634895     -1.065761      7.025771
  H      -6.662751     -0.453770      8.334842
  H      -8.641373     -0.524674      6.637339
  H      -7.976686     -2.115710      7.090852
  H     -11.547012     -2.042484      4.114139
  H      -9.376622     -3.189623      0.167144
  H      -6.954536     -3.020128     -0.534452
  H      -5.286352     -2.114988      1.085699
  N      -4.969307      0.587606      3.480856
  H      -4.406493      0.388908      2.631622
  H      -5.695391      1.246712      3.167468
  H      -5.478213     -0.297236      3.657933
99
Coordinates from ORCA-job orca E -6478.842360779997
  N      -3.484964      3.248247      4.340715
  Mo     -3.790607      1.476618      5.157751
  N      -5.017976      1.467407      6.694709
  C      -4.473256      1.787294      8.013746
  C      -3.330583      2.778072      7.833954
  N      -2.465744      2.339600      6.699548
  C      -1.767843      3.485624      6.048306
  C      -2.734454      4.223776      5.137239
  C      -1.509610      1.271690      7.113574
  C      -1.121999      0.440778      5.901694
  N      -2.335861      0.132152      5.151478
  H      -2.159465      4.895355      4.473469
  H      -3.411466      4.873537      5.724548
  H      -0.955322      3.062603      5.441273
  H      -1.321460      4.147519      6.808857
  H      -0.634027     -0.487904      6.248382
  H      -0.375324      0.970837      5.278764
  H      -2.036231      0.632093      7.834375
  H      -0.634076      1.716573      7.614482
  H      -5.250318      2.246894      8.650720
  H      -4.129861      0.876923      8.541032
  H      -3.744977      3.759862      7.569071
  H      -2.728298      2.891783      8.750498
  C      -4.194017      3.844566      3.209294
  C      -5.431459      4.677328      3.587612
  C      -6.545283      3.894440      4.251367
  O      -6.981745      2.883580      3.292160
  C      -8.209575      2.355356      3.415192
  N      -8.939298      2.554323      4.492373
  C     -10.185856      1.998943      4.495942
  N     -10.773053      1.322775      3.531131
  C     -10.019548      1.117676      2.405816
  C     -10.559354      0.439756      1.286380
  C      -9.756492      0.242443      0.183764
  C      -8.417159      0.697574      0.210167
  N      -7.879795      1.349910      1.231386
  C      -8.677444      1.576337      2.304496
  C      -2.235628     -0.981155      4.214498
  C      -1.661733     -0.585308      2.842503
  C      -2.075605     -1.580008      1.768674
  O      -1.845038     -1.063905      0.432122
  C      -2.761258     -0.241463     -0.078941
  N      -3.819923      0.139981      0.621632
  C      -4.732237      0.939422     -0.005002
  N      -4.684846      1.395878     -1.237835
  C      -3.581243      1.033391     -1.966933
  C      -3.423620      1.484201     -3.298378
  C      -2.299242      1.101776     -3.997343
  C      -1.342228      0.271604     -3.366686
  N      -1.454095     -0.175608     -2.123566
  C      -2.556930      0.201562     -1.433709
  C      -6.386220      0.981347      6.678920
  C      -6.579322     -0.423012      7.276692
  C      -7.778971     -1.104221      6.652760
  O      -7.398348     -1.373736      5.270969
  C      -8.356335     -1.713143      4.407705
  N      -9.617705     -1.781023      4.780764
  C     -10.521494     -2.165550      3.840151
  N     -10.282492     -2.548013      2.602100
  C      -8.974462     -2.479609      2.203379
  C      -8.603637     -2.848379      0.889788
  C      -7.287310     -2.702105      0.505183
  C      -6.352892     -2.177321      1.423930
  N      -6.653181     -1.843925      2.673390
  C      -7.942247     -2.007743      3.062111
  H      -3.492594      4.494219      2.653963
  H      -4.488640      3.051224      2.508147
  H      -5.145515      5.491249      4.272385
  H      -5.819495      5.155691      2.674679
  H      -7.402083      4.531860      4.507485
  H      -6.205572      3.384845      5.167046
  H     -10.757716      2.152637      5.415287
  H     -11.588747      0.083874      1.329740
  H     -10.129848     -0.276323     -0.700727
  H      -7.759094      0.520108     -0.645291
  H      -1.626964     -1.787809      4.662068
  H      -3.242987     -1.403904      4.069695
  H      -0.566594     -0.491104      2.873654
  H      -2.061075      0.404945      2.574398
  H      -3.140926     -1.831795      1.871319
  H      -1.485912     -2.504262      1.800770
  H      -5.605887      1.220239      0.595689
  H      -4.194072      2.122982     -3.732283
  H      -2.136780      1.427600     -5.025612
  H      -0.445581     -0.036375     -3.912255
  H      -6.723063      0.959508      5.633370
  H      -7.048007      1.700612      7.199337
  H      -5.680278     -1.030322      7.081304
  H      -6.714835     -0.383048      8.367578
  H      -8.678340     -0.470999      6.655705
  H      -8.028183     -2.059457      7.136355
  H     -11.563209     -2.150180      4.170716
  H      -9.371842     -3.222724      0.211880
  H      -6.961061     -2.967764     -0.500647
  H      -5.318510     -2.009376      1.112445
  N      -4.985655      0.575318      3.488850
  H      -4.426742      0.374559      2.637184
  H      -5.708084      1.240220      3.174536
  H      -5.497201     -0.309379      3.663778
99
Coordinates from ORCA-job orca E -6478.842921396174
  N      -3.456935      3.218604      4.320036
  Mo     -3.801863      1.461307      5.153562
  N      -5.040111      1.484783      6.682853
  C      -4.503759      1.815622      8.001904
  C      -3.343815      2.785117      7.819726
  N      -2.477495      2.316647      6.697831
  C      -1.750843      3.441430      6.039921
  C      -2.693899      4.188364      5.110843
  C      -1.547164      1.233135      7.131599
  C      -1.156841      0.388512      5.930063
  N      -2.364647      0.098535      5.163798
  H      -2.099837      4.842187      4.446086
  H      -3.363391      4.856860      5.686555
  H      -0.938924      2.996461      5.447341
  H      -1.301883      4.103876      6.798527
  H      -0.690506     -0.546986      6.288019
  H      -0.391509      0.903074      5.315655
  H      -2.097923      0.607867      7.847562
  H      -0.671098      1.664741      7.643703
  H      -5.279021      2.295606      8.626236
  H      -4.178348      0.907250      8.544584
  H      -3.737944      3.770889      7.538052
  H      -2.746719      2.899885      8.739718
  C      -4.145621      3.812773      3.174941
  C      -5.371852      4.670750      3.532997
  C      -6.509025      3.912242      4.187764
  O      -6.969264      2.918538      3.222933
  C      -8.184366      2.372905      3.389750
  N      -8.883758      2.579052      4.485835
  C     -10.125001      2.013378      4.533450
  N     -10.734337      1.320275      3.595459
  C     -10.012395      1.104780      2.452479
  C     -10.579417      0.404784      1.359970
  C      -9.806664      0.193553      0.238498
  C      -8.470395      0.657454      0.219386
  N      -7.908957      1.332674      1.212446
  C      -8.677381      1.572168      2.303853
  C      -2.256879     -0.993639      4.204361
  C      -1.674636     -0.563248      2.847017
  C      -2.050605     -1.548624      1.751212
  O      -1.815826     -1.004271      0.427224
  C      -2.747585     -0.199292     -0.084766
  N      -3.824662      0.146031      0.607146
  C      -4.750050      0.929576     -0.021868
  N      -4.701021      1.400572     -1.248806
  C      -3.579522      1.075047     -1.967769
  C      -3.419964      1.542369     -3.293366
  C      -2.278263      1.195705     -3.983609
  C      -1.306211      0.385291     -3.350109
  N      -1.419268     -0.076691     -2.112758
  C      -2.539187      0.264906     -1.431963
  C      -6.411565      1.008177      6.662021
  C      -6.620510     -0.383956      7.284734
  C      -7.815169     -1.070314      6.656364
  O      -7.419784     -1.356797      5.282685
  C      -8.369488     -1.721959      4.420369
  N      -9.630628     -1.801960      4.791989
  C     -10.525090     -2.208870      3.852885
  N     -10.278847     -2.600192      2.619223
  C      -8.970932     -2.521185      2.223293
  C      -8.592009     -2.901008      0.914738
  C      -7.276139     -2.745983      0.533599
  C      -6.349785     -2.201412      1.450069
  N      -6.658598     -1.857336      2.694754
  C      -7.947206     -2.029333      3.079844
  H      -3.428337      4.444850      2.619150
  H      -4.446902      3.015652      2.480731
  H      -5.077318      5.480503      4.218493
  H      -5.740983      5.154805      2.615436
  H      -7.349545      4.570202      4.444249
  H      -6.184617      3.390629      5.101865
  H     -10.670567      2.173683      5.467094
  H     -11.604964      0.043189      1.438174
  H     -10.201854     -0.342334     -0.625136
  H      -7.833829      0.467524     -0.650485
  H      -1.651100     -1.809873      4.639060
  H      -3.262860     -1.413334      4.040877
  H      -0.582241     -0.444669      2.896474
  H      -2.094882      0.422244      2.592917
  H      -3.111184     -1.828080      1.834998
  H      -1.437892     -2.458597      1.775597
  H      -5.638734      1.179751      0.571480
  H      -4.202706      2.164225     -3.730084
  H      -2.113729      1.534841     -5.006858
  H      -0.396448      0.105574     -3.889257
  H      -6.737253      0.966013      5.613314
  H      -7.074023      1.743199      7.158841
  H      -5.723012     -0.999829      7.112299
  H      -6.769577     -0.322338      8.372818
  H      -8.711410     -0.433125      6.641235
  H      -8.074205     -2.018287      7.149313
  H     -11.566747     -2.207045      4.180566
  H      -9.354023     -3.291124      0.239135
  H      -6.943818     -3.019439     -0.468060
  H      -5.315998     -2.026049      1.140850
  N      -4.994678      0.576488      3.473237
  H      -4.431155      0.382231      2.623771
  H      -5.710432      1.248477      3.160463
  H      -5.513769     -0.307514      3.631683
99
Coordinates from ORCA-job orca E -6478.843326200776
  N      -3.450418      3.191930      4.301081
  Mo     -3.814561      1.444358      5.149770
  N      -5.051430      1.496174      6.679215
  C      -4.516705      1.842468      7.993424
  C      -3.346737      2.797068      7.798320
  N      -2.484562      2.302013      6.684959
  C      -1.739951      3.407660      6.015409
  C      -2.669472      4.157994      5.075634
  C      -1.571922      1.210510      7.133796
  C      -1.185353      0.347567      5.943916
  N      -2.391749      0.066401      5.172114
  H      -2.064124      4.792298      4.402970
  H      -3.324123      4.846698      5.644422
  H      -0.931138      2.945347      5.433282
  H      -1.286470      4.073408      6.768639
  H      -0.734644     -0.590172      6.316264
  H      -0.408250      0.844953      5.330137
  H      -2.135081      0.600227      7.852760
  H      -0.693638      1.636430      7.646458
  H      -5.287494      2.339901      8.609558
  H      -4.200428      0.939747      8.551310
  H      -3.728841      3.782228      7.499195
  H      -2.749208      2.919842      8.716980
  C      -4.132768      3.777040      3.147843
  C      -5.348301      4.654482      3.496364
  C      -6.493314      3.914369      4.160096
  O      -6.975519      2.924861      3.201285
  C      -8.191373      2.388631      3.388848
  N      -8.879741      2.618881      4.487025
  C     -10.124475      2.063950      4.555284
  N     -10.747047      1.360090      3.634481
  C     -10.036743      1.120083      2.489442
  C     -10.619252      0.406597      1.413957
  C      -9.857987      0.170681      0.289153
  C      -8.517883      0.623373      0.250037
  N      -7.942387      1.309652      1.226749
  C      -8.699704      1.573463      2.320493
  C      -2.270170     -1.005405      4.193361
  C      -1.681351     -0.545246      2.848438
  C      -2.024064     -1.526531      1.739597
  O      -1.788604     -0.967867      0.422255
  C      -2.727238     -0.172785     -0.093312
  N      -3.817478      0.152266      0.587997
  C      -4.741666      0.934229     -0.045835
  N      -4.680153      1.422362     -1.265496
  C      -3.546867      1.114199     -1.973250
  C      -3.373926      1.598521     -3.291779
  C      -2.221073      1.268039     -3.971795
  C      -1.251053      0.457738     -3.335111
  N      -1.375725     -0.018664     -2.103928
  C      -2.507010      0.306579     -1.433630
  C      -6.423155      1.020532      6.657297
  C      -6.639382     -0.364477      7.293545
  C      -7.828306     -1.058318      6.661931
  O      -7.427266     -1.351726      5.290922
  C      -8.373763     -1.738282      4.433519
  N      -9.632583     -1.834393      4.810043
  C     -10.524023     -2.258203      3.875817
  N     -10.278270     -2.649245      2.641757
  C      -8.972105     -2.556353      2.242349
  C      -8.591943     -2.939544      0.934726
  C      -7.278725     -2.773590      0.550063
  C      -6.355468     -2.214497      1.461290
  N      -6.665582     -1.866540      2.704265
  C      -7.951624     -2.049688      3.093679
  H      -3.409842      4.392380      2.580637
  H      -4.445971      2.972866      2.466893
  H      -5.044422      5.467645      4.173969
  H      -5.712993      5.134666      2.574922
  H      -7.321907      4.585355      4.420811
  H      -6.170029      3.388428      5.072277
  H     -10.660184      2.243776      5.490738
  H     -11.647904      0.055821      1.507099
  H     -10.266527     -0.375984     -0.560932
  H      -7.889694      0.411576     -0.621400
  H      -1.663773     -1.825418      4.619411
  H      -3.272086     -1.427147      4.012219
  H      -0.592856     -0.403731      2.913465
  H      -2.121322      0.433465      2.605195
  H      -3.078917     -1.830455      1.810429
  H      -1.390585     -2.421732      1.763879
  H      -5.638364      1.172215      0.539231
  H      -4.155753      2.219411     -3.731482
  H      -2.045850      1.620196     -4.989423
  H      -0.332986      0.190804     -3.867031
  H      -6.742070      0.964668      5.607287
  H      -7.086250      1.764070      7.138671
  H      -5.739890     -0.980574      7.137781
  H      -6.800645     -0.291065      8.378943
  H      -8.725531     -0.423520      6.639399
  H      -8.087829     -2.003963      7.158802
  H     -11.564387     -2.272074      4.207298
  H      -9.351937     -3.340643      0.263480
  H      -6.945281     -3.049039     -0.450476
  H      -5.323674     -2.032405      1.148223
  N      -5.003987      0.571293      3.462040
  H      -4.437190      0.384296      2.612428
  H      -5.722127      1.241125      3.148922
  H      -5.519001     -0.317482      3.613595
99
Coordinates from ORCA-job orca E -6478.843611087060
  N      -3.424042      3.168079      4.279405
  Mo     -3.828845      1.435104      5.142471
  N      -5.075789      1.513870      6.663942
  C      -4.552005      1.872167      7.978874
  C      -3.365099      2.804110      7.784461
  N      -2.502147      2.282200      6.684378
  C      -1.730111      3.368424      6.013627
  C      -2.637974      4.125996      5.057832
  C      -1.614250      1.176611      7.151595
  C      -1.222170      0.306122      5.967504
  N      -2.420939      0.043947      5.176016
  H      -2.014872      4.749128      4.390699
  H      -3.289526      4.825506      5.616791
  H      -0.922633      2.887281      5.446099
  H      -1.276148      4.033729      6.767164
  H      -0.789048     -0.638124      6.344512
  H      -0.429945      0.793871      5.365962
  H      -2.198202      0.576444      7.862392
  H      -0.737947      1.589470      7.678171
  H      -5.322790      2.389658      8.578651
  H      -4.256644      0.973680      8.555430
  H      -3.726699      3.792211      7.469727
  H      -2.772899      2.927398      8.706437
  C      -4.086651      3.755273      3.117032
  C      -5.291792      4.653765      3.453307
  C      -6.452963      3.935885      4.112677
  O      -6.960956      2.964574      3.149525
  C      -8.164908      2.415416      3.374441
  N      -8.828738      2.652503      4.487190
  C     -10.065070      2.084600      4.596747
  N     -10.701852      1.359430      3.702691
  C     -10.018176      1.111192      2.542865
  C     -10.620014      0.372633      1.495315
  C      -9.885557      0.121498      0.357629
  C      -8.552390      0.584369      0.277369
  N      -7.958592      1.297065      1.226243
  C      -8.691205      1.575955      2.331578
  C      -2.294637     -1.012686      4.179207
  C      -1.693128     -0.527373      2.848310
  C      -2.002549     -1.500201      1.723266
  O      -1.764328     -0.917577      0.416712
  C      -2.713410     -0.135373     -0.098345
  N      -3.814712      0.162016      0.577119
  C      -4.748993      0.930349     -0.058488
  N      -4.688178      1.428580     -1.274015
  C      -3.544546      1.145617     -1.975983
  C      -3.374011      1.637146     -3.291658
  C      -2.212906      1.328510     -3.967096
  C      -1.231142      0.534495     -3.328398
  N      -1.352344      0.052938     -2.099035
  C      -2.493017      0.355753     -1.434244
  C      -6.449477      1.042040      6.638964
  C      -6.674312     -0.334651      7.289313
  C      -7.859474     -1.035144      6.659267
  O      -7.450410     -1.336791      5.292101
  C      -8.389941     -1.747819      4.437692
  N      -9.646584     -1.867602      4.813611
  C     -10.527948     -2.314565      3.879628
  N     -10.272517     -2.704783      2.645732
  C      -8.967478     -2.590197      2.249552
  C      -8.573470     -2.978967      0.945854
  C      -7.261353     -2.794850      0.565674
  C      -6.351533     -2.212713      1.476713
  N      -6.674559     -1.859546      2.715736
  C      -7.959688     -2.060459      3.101046
  H      -3.351759      4.358217      2.551935
  H      -4.406432      2.951377      2.438767
  H      -4.978186      5.463734      4.130249
  H      -5.643319      5.137689      2.528968
  H      -7.266123      4.624735      4.376468
  H      -6.141053      3.399283      5.022949
  H     -10.579631      2.274238      5.543106
  H     -11.641689      0.013942      1.619886
  H     -10.311366     -0.445248     -0.471694
  H      -7.947614      0.359031     -0.605850
  H      -1.695518     -1.842128      4.597155
  H      -3.296408     -1.427300      3.980947
  H      -0.608588     -0.367128      2.932425
  H      -2.147874      0.446541      2.612595
  H      -3.051684     -1.826699      1.775952
  H      -1.350316     -2.381958      1.744749
  H      -5.653379      1.147621      0.522682
  H      -4.164965      2.244465     -3.733779
  H      -2.039690      1.685447     -4.983233
  H      -0.306760      0.285533     -3.857616
  H      -6.761732      0.977107      5.587234
  H      -7.112379      1.793844      7.107757
  H      -5.774705     -0.953662      7.144099
  H      -6.842461     -0.247842      8.372960
  H      -8.757928     -0.401749      6.630752
  H      -8.118053     -1.978525      7.159743
  H     -11.568038     -2.350972      4.209177
  H      -9.323095     -3.400613      0.275482
  H      -6.917217     -3.075806     -0.430982
  H      -5.320196     -2.018720      1.168076
  N      -5.019869      0.571546      3.446268
  H      -4.446076      0.383986      2.601682
  H      -5.728959      1.249333      3.131371
  H      -5.543835     -0.313368      3.591425
99
Coordinates from ORCA-job orca E -6478.843855952926
  N      -3.415401      3.150126      4.262683
  Mo     -3.837149      1.424580      5.133370
  N      -5.085759      1.525542      6.652202
  C      -4.565460      1.893810      7.965206
  C      -3.368367      2.811355      7.764823
  N      -2.507775      2.268590      6.673711
  C      -1.719077      3.338983      5.997066
  C      -2.613495      4.101404      5.031839
  C      -1.635499      1.157241      7.154633
  C      -1.248734      0.271396      5.980230
  N      -2.445495      0.018205      5.182436
  H      -1.977391      4.705875      4.359504
  H      -3.252102      4.819509      5.582094
  H      -0.915721      2.842619      5.436799
  H      -1.259505      4.004738      6.746758
  H      -0.831031     -0.675200      6.368373
  H      -0.446177      0.743096      5.379918
  H      -2.227130      0.569361      7.869252
  H      -0.756208      1.564576      7.679997
  H      -5.333952      2.426348      8.554519
  H      -4.283025      1.000024      8.555388
  H      -3.719720      3.798673      7.436763
  H      -2.777609      2.940275      8.686774
  C      -4.068259      3.735308      3.094144
  C      -5.264857      4.649341      3.419068
  C      -6.433609      3.951283      4.086099
  O      -6.953761      2.975127      3.135158
  C      -8.160793      2.438357      3.369076
  N      -8.824907      2.701310      4.474706
  C     -10.062410      2.139700      4.595147
  N     -10.699131      1.393247      3.718115
  C     -10.016272      1.120869      2.563652
  C     -10.620261      0.366611      1.529251
  C      -9.888325      0.101798      0.392009
  C      -8.555049      0.562201      0.301488
  N      -7.958185      1.286148      1.239580
  C      -8.689224      1.582167      2.341775
  C      -2.308854     -1.024970      4.172537
  C      -1.697654     -0.520049      2.853456
  C      -1.989218     -1.485105      1.716472
  O      -1.745383     -0.887883      0.418022
  C      -2.699983     -0.111052     -0.093907
  N      -3.810257      0.161505      0.578324
  C      -4.750401      0.925225     -0.053118
  N      -4.688153      1.439535     -1.261673
  C      -3.536555      1.180195     -1.961269
  C      -3.365705      1.688228     -3.270431
  C      -2.197950      1.400800     -3.944052
  C      -1.209857      0.611343     -3.310051
  N      -1.330729      0.115529     -2.086273
  C      -2.478041      0.397724     -1.423264
  C      -6.460125      1.054313      6.629049
  C      -6.684854     -0.319441      7.285046
  C      -7.868047     -1.026623      6.657852
  O      -7.460809     -1.329783      5.290016
  C      -8.398443     -1.760369      4.443209
  N      -9.651734     -1.894227      4.826056
  C     -10.530776     -2.364771      3.901642
  N     -10.275334     -2.763429      2.670965
  C      -8.974097     -2.634386      2.267553
  C      -8.579822     -3.034682      0.967935
  C      -7.271473     -2.840608      0.581009
  C      -6.365241     -2.238372      1.481790
  N      -6.688242     -1.872921      2.716334
  C      -7.970007     -2.082390      3.108428
  H      -3.326697      4.325633      2.524297
  H      -4.396961      2.929112      2.423413
  H      -4.945208      5.464578      4.086706
  H      -5.609685      5.124935      2.487805
  H      -7.238960      4.651572      4.342619
  H      -6.127781      3.421275      5.002253
  H     -10.577406      2.352078      5.535879
  H     -11.642201      0.012030      1.660760
  H     -10.317493     -0.471030     -0.429968
  H      -7.955565      0.328319     -0.583826
  H      -1.712422     -1.859269      4.584701
  H      -3.308333     -1.437553      3.959738
  H      -0.615321     -0.350626      2.949633
  H      -2.159205      0.452695      2.623829
  H      -3.036231     -1.820596      1.756830
  H      -1.329911     -2.362148      1.737140
  H      -5.663396      1.119540      0.524781
  H      -4.161940      2.290523     -3.709339
  H      -2.024357      1.769820     -4.955697
  H      -0.280681      0.378588     -3.838597
  H      -6.772306      0.986754      5.577530
  H      -7.121573      1.808952      7.095699
  H      -5.783117     -0.937124      7.144928
  H      -6.856110     -0.227176      8.367861
  H      -8.770006     -0.397689      6.630387
  H      -8.120553     -1.970668      7.160679
  H     -11.567086     -2.421441      4.239497
  H      -9.327045     -3.474792      0.307156
  H      -6.926759     -3.130882     -0.412390
  H      -5.336821     -2.038892      1.168089
  N      -5.029896      0.571958      3.432560
  H      -4.456467      0.395979      2.585869
  H      -5.743707      1.248567      3.127413
  H      -5.547359     -0.317806      3.573193
99
Coordinates from ORCA-job orca E -6478.844107025487
  N      -3.412892      3.140847      4.249579
  Mo     -3.852397      1.423010      5.125102
  N      -5.101895      1.540559      6.642203
  C      -4.583256      1.915107      7.954074
  C      -3.374731      2.817340      7.750253
  N      -2.518405      2.259675      6.664244
  C      -1.715608      3.317069      5.984598
  C      -2.599263      4.085190      5.014730
  C      -1.659500      1.141327      7.151001
  C      -1.279410      0.245455      5.982213
  N      -2.475443      0.003013      5.179993
  H      -1.953281      4.675159      4.339125
  H      -3.227415      4.816888      5.558454
  H      -0.918312      2.808107      5.427524
  H      -1.248243      3.981281      6.730670
  H      -0.876205     -0.704292      6.377777
  H      -0.468849      0.702862      5.382377
  H      -2.256021      0.561927      7.868210
  H      -0.776344      1.541204      7.675060
  H      -5.349333      2.462781      8.532213
  H      -4.316540      1.024882      8.556490
  H      -3.716140      3.805571      7.415476
  H      -2.784090      2.946875      8.671906
  C      -4.057808      3.727533      3.077830
  C      -5.245951      4.654090      3.398673
  C      -6.417024      3.973356      4.076973
  O      -6.949133      2.992058      3.138305
  C      -8.157112      2.463267      3.384844
  N      -8.821491      2.753398      4.482939
  C     -10.058510      2.196422      4.616528
  N     -10.694853      1.425203      3.760457
  C     -10.013167      1.125840      2.611694
  C     -10.618170      0.344862      1.597866
  C      -9.890136      0.059987      0.462566
  C      -8.559069      0.527600      0.354193
  N      -7.960208      1.271910      1.275778
  C      -8.687819      1.586693      2.375852
  C      -2.332683     -1.031978      4.162680
  C      -1.709934     -0.520343      2.851909
  C      -1.992770     -1.480058      1.707404
  O      -1.747510     -0.874552      0.412125
  C      -2.695370     -0.090327     -0.102154
  N      -3.806935      0.191058      0.563031
  C      -4.734399      0.968202     -0.072908
  N      -4.658013      1.488143     -1.278016
  C      -3.504952      1.219020     -1.971018
  C      -3.318884      1.732460     -3.276233
  C      -2.149589      1.435171     -3.942577
  C      -1.175196      0.630441     -3.305188
  N      -1.310417      0.130083     -2.084170
  C      -2.459479      0.421859     -1.428206
  C      -6.475775      1.066186      6.620951
  C      -6.695871     -0.308380      7.275216
  C      -7.874822     -1.023500      6.648817
  O      -7.469234     -1.323378      5.279503
  C      -8.401976     -1.779448      4.440892
  N      -9.650203     -1.935606      4.830945
  C     -10.525464     -2.432189      3.916516
  N     -10.270118     -2.829917      2.685673
  C      -8.974548     -2.676661      2.273425
  C      -8.582405     -3.072960      0.971891
  C      -7.279358     -2.861092      0.576399
  C      -6.376805     -2.244363      1.471373
  N      -6.697936     -1.877825      2.705995
  C      -7.974435     -2.104140      3.106586
  H      -3.311242      4.308847      2.505352
  H      -4.394239      2.921926      2.410154
  H      -4.916940      5.474463      4.055692
  H      -5.589754      5.122348      2.463036
  H      -7.215279      4.683517      4.329095
  H      -6.115730      3.450048      4.998303
  H     -10.574296      2.435554      5.550029
  H     -11.638811     -0.012958      1.742429
  H     -10.321431     -0.533548     -0.345003
  H      -7.966427      0.279202     -0.531320
  H      -1.740292     -1.870242      4.571023
  H      -3.331889     -1.439749      3.941158
  H      -0.628713     -0.349630      2.957452
  H      -2.167743      0.453623      2.620192
  H      -3.038120     -1.820824      1.741893
  H      -1.329365     -2.353830      1.725529
  H      -5.649074      1.170087      0.497676
  H      -4.104805      2.347084     -3.717769
  H      -1.964184      1.807443     -4.951415
  H      -0.245012      0.389466     -3.828110
  H      -6.788538      1.001483      5.569720
  H      -7.137276      1.818375      7.091185
  H      -5.789887     -0.920723      7.137562
  H      -6.871133     -0.216990      8.357079
  H      -8.783109     -0.403285      6.624365
  H      -8.116826     -1.970335      7.151395
  H     -11.558275     -2.512458      4.263522
  H      -9.327409     -3.526168      0.315155
  H      -6.935909     -3.150043     -0.417882
  H      -5.352521     -2.033603      1.151328
  N      -5.048934      0.578037      3.423578
  H      -4.474288      0.401735      2.577943
  H      -5.761840      1.256245      3.118776
  H      -5.564737     -0.311921      3.568939
99
Coordinates from ORCA-job orca E -6478.844363286436
  N      -3.400978      3.128531      4.231443
  Mo     -3.867603      1.420733      5.112878
  N      -5.122295      1.556878      6.625157
  C      -4.608790      1.938234      7.937212
  C      -3.387280      2.823280      7.733981
  N      -2.532528      2.247755      6.656114
  C      -1.710729      3.290181      5.975283
  C      -2.578061      4.065668      4.996119
  C      -1.692848      1.119319      7.153410
  C      -1.315040      0.215293      5.990015
  N      -2.506484     -0.013119      5.175817
  H      -1.919997      4.641294      4.319583
  H      -3.197878      4.810619      5.531603
  H      -0.918595      2.766055      5.424144
  H      -1.236576      3.952062      6.718940
  H      -0.928683     -0.738840      6.391591
  H      -0.493174      0.659552      5.395327
  H      -2.301900      0.550003      7.868734
  H      -0.807806      1.508484      7.682949
  H      -5.372661      2.503494      8.501475
  H      -4.361621      1.051378      8.552804
  H      -3.715125      3.813678      7.391514
  H      -2.800145      2.951875      8.658075
  C      -4.035465      3.718944      3.055822
  C      -5.212851      4.661646      3.370193
  C      -6.391292      4.005267      4.058224
  O      -6.937562      3.018625      3.133389
  C      -8.148478      2.502391      3.392151
  N      -8.811271      2.820704      4.484697
  C     -10.047210      2.265924      4.636485
  N     -10.683318      1.470315      3.803109
  C     -10.003452      1.142176      2.659678
  C     -10.608379      0.333075      1.669275
  C      -9.883701      0.022545      0.538618
  C      -8.556030      0.493381      0.412478
  N      -7.956775      1.261946      1.312393
  C      -8.680738      1.601137      2.407641
  C      -2.361516     -1.044185      4.153044
  C      -1.726293     -0.526319      2.850866
  C      -1.998460     -1.477609      1.695914
  O      -1.748790     -0.859814      0.407048
  C      -2.696625     -0.074833     -0.105819
  N      -3.813928      0.196558      0.554728
  C      -4.740214      0.976450     -0.080007
  N      -4.656705      1.508598     -1.279145
  C      -3.498947      1.249197     -1.968131
  C      -3.306237      1.775566     -3.267387
  C      -2.131517      1.488602     -3.929484
  C      -1.158737      0.680810     -3.293562
  N      -1.300313      0.168571     -2.077942
  C      -2.454420      0.450192     -1.425887
  C      -6.496028      1.079840      6.605475
  C      -6.710670     -0.294691      7.262266
  C      -7.884234     -1.017802      6.636482
  O      -7.478029     -1.313316      5.266558
  C      -8.401404     -1.795458      4.433267
  N      -9.646822     -1.970758      4.825433
  C     -10.512553     -2.495893      3.917862
  N     -10.250214     -2.899487      2.690834
  C      -8.957995     -2.725819      2.275596
  C      -8.559758     -3.129004      0.978694
  C      -7.261111     -2.896990      0.579437
  C      -6.369982     -2.254787      1.467177
  N      -6.696080     -1.881297      2.698371
  C      -7.968043     -2.125922      3.102457
  H      -3.280967      4.290300      2.483980
  H      -4.379757      2.915544      2.389457
  H      -4.872101      5.486207      4.016001
  H      -5.552657      5.122572      2.429064
  H      -7.179197      4.729972      4.302749
  H      -6.098558      3.488370      4.986317
  H     -10.563659      2.532796      5.562932
  H     -11.626678     -0.024786      1.826972
  H     -10.315885     -0.592261     -0.252260
  H      -7.968078      0.225541     -0.469529
  H      -1.775765     -1.888416      4.558923
  H      -3.361158     -1.445780      3.922477
  H      -0.645770     -0.357371      2.966716
  H      -2.179193      0.449759      2.618923
  H      -3.042067     -1.824423      1.720618
  H      -1.330735     -2.347848      1.709371
  H      -5.657346      1.173201      0.487553
  H      -4.091159      2.392150     -3.707804
  H      -1.940457      1.870927     -4.933709
  H      -0.224102      0.447893     -3.812908
  H      -6.810098      1.015349      5.554629
  H      -7.158331      1.831036      7.077266
  H      -5.801114     -0.902560      7.127815
  H      -6.888837     -0.201950      8.343735
  H      -8.798157     -0.406029      6.613169
  H      -8.116303     -1.966968      7.139473
  H     -11.544593     -2.595137      4.267627
  H      -9.295094     -3.605299      0.328853
  H      -6.912751     -3.190416     -0.411573
  H      -5.349589     -2.030749      1.144091
  N      -5.066496      0.581953      3.408670
  H      -4.488819      0.404325      2.565405
  H      -5.777188      1.261605      3.102522
  H      -5.581526     -0.307245      3.556698
99
Coordinates from ORCA-job orca E -6478.844630316078
  N      -3.388867      3.121806      4.215492
  Mo     -3.878791      1.421662      5.096418
  N      -5.143037      1.571667      6.600276
  C      -4.635134      1.954373      7.914382
  C      -3.402596      2.825338      7.717686
  N      -2.546121      2.238147      6.647799
  C      -1.707896      3.269051      5.969332
  C      -2.558260      4.052319      4.981864
  C      -1.723407      1.101232      7.153739
  C      -1.346770      0.190382      5.995583
  N      -2.532729     -0.025854      5.169421
  H      -1.888271      4.614688      4.306184
  H      -3.172006      4.808107      5.508551
  H      -0.920488      2.733507      5.422175
  H      -1.228084      3.926248      6.713469
  H      -0.976569     -0.767999      6.402421
  H      -0.513573      0.623043      5.407263
  H      -2.344468      0.541380      7.866633
  H      -0.836906      1.480643      7.688781
  H      -5.397720      2.533041      8.466850
  H      -4.405916      1.067940      8.537026
  H      -3.718115      3.818493      7.371027
  H      -2.821337      2.950377      8.646106
  C      -4.010686      3.718875      3.036179
  C      -5.177675      4.676600      3.342620
  C      -6.364098      4.042637      4.038076
  O      -6.920602      3.048173      3.127181
  C      -8.131580      2.540589      3.401879
  N      -8.788490      2.886056      4.490191
  C     -10.021550      2.331164      4.663963
  N     -10.659098      1.509462      3.857557
  C      -9.985902      1.153705      2.718412
  C     -10.592565      0.311898      1.756468
  C      -9.875937     -0.024760      0.628738
  C      -8.554284      0.454991      0.477133
  N      -7.953078      1.252783      1.349251
  C      -8.668671      1.615023      2.442831
  C      -2.385951     -1.056398      4.145785
  C      -1.740776     -0.538421      2.849293
  C      -2.008163     -1.482459      1.686630
  O      -1.751787     -0.853555      0.404434
  C      -2.697998     -0.065251     -0.105687
  N      -3.818616      0.197369      0.552401
  C      -4.745056      0.979900     -0.078999
  N      -4.658071      1.523381     -1.272740
  C      -3.496427      1.274826     -1.958456
  C      -3.299962      1.814729     -3.251401
  C      -2.121150      1.538707     -3.910610
  C      -1.148327      0.728763     -3.277753
  N      -1.293684      0.203550     -2.068325
  C      -2.451595      0.473972     -1.419166
  C      -6.517887      1.096541      6.579962
  C      -6.732858     -0.277443      7.239301
  C      -7.904168     -1.003711      6.613658
  O      -7.494404     -1.301050      5.245082
  C      -8.406673     -1.812165      4.418010
  N      -9.648818     -2.007578      4.811568
  C     -10.502217     -2.562225      3.909719
  N     -10.230849     -2.975102      2.687959
  C      -8.942066     -2.778996      2.270661
  C      -8.535770     -3.185369      0.977534
  C      -7.242351     -2.927893      0.575091
  C      -6.365075     -2.259297      1.457134
  N      -6.698865     -1.882440      2.685602
  C      -7.965335     -2.149314      3.091362
  H      -3.246241      4.280653      2.468206
  H      -4.361181      2.919501      2.368427
  H      -4.826342      5.503992      3.979394
  H      -5.512715      5.131476      2.396827
  H      -7.143063      4.780656      4.271781
  H      -6.080950      3.534817      4.974562
  H     -10.534968      2.622212      5.585841
  H     -11.606017     -0.049477      1.932912
  H     -10.308894     -0.666421     -0.140428
  H      -7.973221      0.168182     -0.403321
  H      -1.804624     -1.903629      4.552257
  H      -3.385976     -1.454136      3.909563
  H      -0.659927     -0.376082      2.972383
  H      -2.184987      0.440913      2.614198
  H      -3.052100     -1.829909      1.704007
  H      -1.340251     -2.352700      1.693832
  H      -5.664612      1.169808      0.486902
  H      -4.085257      2.432462     -3.689333
  H      -1.926739      1.931788     -4.909770
  H      -0.210089      0.504741     -3.794130
  H      -6.832713      1.032841      5.529368
  H      -7.179146      1.848220      7.052809
  H      -5.823719     -0.886135      7.108715
  H      -6.913061     -0.181941      8.320447
  H      -8.819290     -0.394477      6.587128
  H      -8.134764     -1.952031      7.119544
  H     -11.532356     -2.678294      4.260293
  H      -9.260372     -3.683051      0.332043
  H      -6.888786     -3.220966     -0.414306
  H      -5.349919     -2.015027      1.131469
  N      -5.077940      0.587848      3.391260
  H      -4.496869      0.407360      2.551130
  H      -5.785312      1.269398      3.083233
  H      -5.594553     -0.299317      3.542437
99
Coordinates from ORCA-job orca E -6478.844889465372
  N      -3.378022      3.113958      4.199090
  Mo     -3.893553      1.421779      5.079397
  N      -5.165045      1.585442      6.576869
  C      -4.658695      1.968573      7.891713
  C      -3.415616      2.825041      7.699902
  N      -2.559136      2.226242      6.636212
  C      -1.705031      3.245283      5.960495
  C      -2.540063      4.037464      4.967726
  C      -1.755043      1.078152      7.148404
  C      -1.381316      0.162212      5.993269
  N      -2.562759     -0.039617      5.156325
  H      -1.861581      4.590561      4.293226
  H      -3.148987      4.800056      5.489970
  H      -0.922719      2.699009      5.416680
  H      -1.219509      3.896715      6.706082
  H      -1.026380     -0.801094      6.402368
  H      -0.538110      0.585046      5.411656
  H      -2.390562      0.529175      7.856945
  H      -0.867138      1.445523      7.689968
  H      -5.417232      2.559411      8.437153
  H      -4.443689      1.081126      8.517631
  H      -3.716936      3.821895      7.350592
  H      -2.839349      2.944098      8.632387
  C      -3.987560      3.719508      3.017410
  C      -5.140646      4.695922      3.315182
  C      -6.337059      4.086510      4.016275
  O      -6.901815      3.085691      3.117273
  C      -8.112827      2.586503      3.402923
  N      -8.768419      2.958822      4.484221
  C      -9.998413      2.402195      4.676640
  N     -10.633012      1.553262      3.897299
  C      -9.961386      1.170604      2.765595
  C     -10.563844      0.293308      1.833592
  C      -9.850492     -0.069008      0.711518
  C      -8.536659      0.423156      0.535677
  N      -7.939282      1.251968      1.379322
  C      -8.650382      1.636434      2.468563
  C      -2.422566     -1.073967      4.134391
  C      -1.765880     -0.558311      2.842545
  C      -2.034540     -1.488621      1.668651
  O      -1.767657     -0.846199      0.394780
  C      -2.707246     -0.048221     -0.112069
  N      -3.831888      0.208783      0.542116
  C      -4.753503      1.000340     -0.084783
  N      -4.659169      1.556967     -1.271853
  C      -3.493247      1.315590     -1.952298
  C      -3.288670      1.870303     -3.237453
  C      -2.105666      1.601840     -3.892420
  C      -1.136915      0.785031     -3.262795
  N      -1.290152      0.245082     -2.061383
  C      -2.451929      0.507678     -1.416572
  C      -6.540647      1.113840      6.557708
  C      -6.757261     -0.257759      7.223951
  C      -7.927275     -0.988377      6.601573
  O      -7.512184     -1.295992      5.236406
  C      -8.411489     -1.837942      4.416081
  N      -9.652087     -2.048744      4.808136
  C     -10.490810     -2.631029      3.909652
  N     -10.206596     -3.058237      2.695880
  C      -8.919566     -2.845253      2.280545
  C      -8.502271     -3.258821      0.993687
  C      -7.212849     -2.978814      0.591708
  C      -6.351173     -2.282654      1.468466
  N      -6.695818     -1.899848      2.692271
  C      -7.957872     -2.186566      3.096337
  H      -3.211302      4.269181      2.453225
  H      -4.346463      2.925254      2.348502
  H      -4.775304      5.523811      3.943465
  H      -5.470418      5.146879      2.365670
  H      -7.106267      4.837739      4.238145
  H      -6.064627      3.586320      4.959789
  H     -10.513036      2.717840      5.589914
  H     -11.572020     -0.073601      2.027747
  H     -10.278581     -0.740775     -0.033117
  H      -7.955941      0.117484     -0.339439
  H      -1.849375     -1.926169      4.543057
  H      -3.424744     -1.464277      3.893571
  H      -0.683441     -0.412181      2.973089
  H      -2.195284      0.428032      2.609542
  H      -3.080123     -1.831419      1.677461
  H      -1.370864     -2.362158      1.665772
  H      -5.676356      1.184825      0.479354
  H      -4.071462      2.492492     -3.673155
  H      -1.905193      2.006775     -4.885117
  H      -0.195087      0.567200     -3.774897
  H      -6.856493      1.046141      5.507777
  H      -7.201202      1.867505      7.028123
  H      -5.849608     -0.868788      7.098207
  H      -6.937976     -0.155696      8.304702
  H      -8.841981     -0.379483      6.566731
  H      -8.160280     -1.931971      7.115338
  H     -11.521181     -2.756988      4.255404
  H      -9.214739     -3.777268      0.351261
  H      -6.852121     -3.274158     -0.394014
  H      -5.340617     -2.019670      1.142804
  N      -5.098339      0.589828      3.378659
  H      -4.516304      0.399407      2.541413
  H      -5.800578      1.273354      3.063870
  H      -5.620631     -0.293352      3.535031
99
Coordinates from ORCA-job orca E -6478.845130363688
  N      -3.371336      3.104934      4.180437
  Mo     -3.905674      1.418563      5.059835
  N      -5.186205      1.595690      6.548080
  C      -4.683915      1.980504      7.864230
  C      -3.433496      2.826984      7.677188
  N      -2.573658      2.217760      6.622213
  C      -1.705885      3.226020      5.948839
  C      -2.526538      4.023642      4.947986
  C      -1.785039      1.063359      7.144278
  C      -1.411426      0.139155      5.995745
  N      -2.587627     -0.054498      5.149179
  H      -1.839017      4.565763      4.273544
  H      -3.130678      4.794862      5.463241
  H      -0.925892      2.670472      5.410579
  H      -1.217887      3.873311      6.696606
  H      -1.070281     -0.826453      6.411369
  H      -0.558151      0.551448      5.421111
  H      -2.432716      0.525091      7.849711
  H      -0.897582      1.423782      7.691331
  H      -5.440525      2.579515      8.403715
  H      -4.478098      1.092858      8.493129
  H      -3.724053      3.825070      7.322050
  H      -2.863617      2.944667      8.613999
  C      -3.970134      3.713276      2.994616
  C      -5.108774      4.708962      3.281762
  C      -6.310073      4.124956      3.995420
  O      -6.885445      3.111266      3.117785
  C      -8.094591      2.619797      3.423581
  N      -8.740332      3.015022      4.502861
  C      -9.966897      2.458979      4.719796
  N     -10.605687      1.587368      3.968829
  C      -9.944963      1.182370      2.838727
  C     -10.551994      0.278535      1.935457
  C      -9.850682     -0.104570      0.812217
  C      -8.544090      0.394300      0.606794
  N      -7.941807      1.245874      1.423710
  C      -8.641051      1.649639      2.514131
  C      -2.443773     -1.085964      4.125435
  C      -1.781886     -0.568219      2.837091
  C      -2.047322     -1.494407      1.659547
  O      -1.772632     -0.846086      0.390532
  C      -2.708341     -0.043108     -0.115984
  N      -3.836758      0.208616      0.533043
  C      -4.753741      1.007607     -0.091308
  N      -4.651727      1.577174     -1.271630
  C      -3.480738      1.342642     -1.945176
  C      -3.265738      1.913916     -3.221213
  C      -2.077101      1.654244     -3.869073
  C      -1.113025      0.829698     -3.241723
  N      -1.276005      0.273828     -2.049178
  C      -2.443320      0.527802     -1.411440
  C      -6.562889      1.127924      6.525616
  C      -6.786902     -0.238682      7.200746
  C      -7.956112     -0.970056      6.577146
  O      -7.532293     -1.287967      5.216972
  C      -8.419381     -1.859349      4.403763
  N      -9.655703     -2.092424      4.797152
  C     -10.479752     -2.703055      3.903086
  N     -10.184200     -3.139894      2.694848
  C      -8.901473     -2.902351      2.278861
  C      -8.473631     -3.316025      0.995233
  C      -7.192342     -3.004245      0.589572
  C      -6.348069     -2.279385      1.460121
  N      -6.702300     -1.898342      2.682220
  C      -7.956407     -2.213810      3.088732
  H      -3.183735      4.246442      2.428611
  H      -4.339824      2.920484      2.330200
  H      -4.732666      5.540814      3.897599
  H      -5.435719      5.150465      2.327462
  H      -7.071366      4.887863      4.203842
  H      -6.040334      3.639319      4.946520
  H     -10.474441      2.795014      5.629491
  H     -11.554701     -0.090167      2.151868
  H     -10.280741     -0.798616      0.090426
  H      -7.971154      0.072854     -0.268601
  H      -1.872230     -1.938483      4.535576
  H      -3.444882     -1.476113      3.879521
  H      -0.699680     -0.425750      2.972567
  H      -2.208281      0.419335      2.604362
  H      -3.093563     -1.835321      1.663595
  H      -1.385216     -2.369195      1.654056
  H      -5.678630      1.188520      0.469950
  H      -4.045382      2.541551     -3.655423
  H      -1.868676      2.072971     -4.854283
  H      -0.166340      0.619210     -3.747667
  H      -6.875151      1.052481      5.474732
  H      -7.223643      1.886880      6.987910
  H      -5.881001     -0.854707      7.084369
  H      -6.972025     -0.128364      8.280187
  H      -8.868247     -0.357109      6.530285
  H      -8.197745     -1.908234      7.096596
  H     -11.508063     -2.843855      4.246769
  H      -9.173091     -3.856009      0.356925
  H      -6.825749     -3.295821     -0.395528
  H      -5.345606     -1.989120      1.131155
  N      -5.106297      0.589621      3.358903
  H      -4.521897      0.399390      2.523714
  H      -5.807871      1.271490      3.041011
  H      -5.629804     -0.293055      3.512916
99
Coordinates from ORCA-job orca E -6478.845391026593
  N      -3.368646      3.094604      4.162266
  Mo     -3.918100      1.412832      5.040745
  N      -5.203435      1.599337      6.523357
  C      -4.702091      1.986245      7.839457
  C      -3.446616      2.825117      7.653946
  N      -2.585238      2.207719      6.604911
  C      -1.707787      3.207992      5.934233
  C      -2.520048      4.009742      4.929672
  C      -1.808818      1.047437      7.132963
  C      -1.435463      0.118887      5.987576
  N      -2.608374     -0.067722      5.135380
  H      -1.827718      4.547298      4.256563
  H      -3.122067      4.784218      5.442599
  H      -0.929169      2.646796      5.400317
  H      -1.219112      3.851937      6.684532
  H      -1.102344     -0.848312      6.405747
  H      -0.576371      0.525990      5.418698
  H      -2.466861      0.516437      7.833629
  H      -0.922623      1.401661      7.685388
  H      -5.456208      2.589064      8.378127
  H      -4.498684      1.098459      8.469253
  H      -3.728142      3.823759      7.293875
  H      -2.880707      2.941644      8.593318
  C      -3.957506      3.703507      2.972172
  C      -5.079428      4.721157      3.246524
  C      -6.287610      4.163671      3.970250
  O      -6.873690      3.140463      3.111582
  C      -8.085148      2.665003      3.427893
  N      -8.728894      3.088319      4.497319
  C      -9.955793      2.540396      4.728871
  N     -10.594893      1.645885      4.004877
  C      -9.936777      1.212188      2.884511
  C     -10.542299      0.277701      2.010824
  C      -9.843206     -0.135048      0.896467
  C      -8.540462      0.366334      0.670438
  N      -7.938838      1.243640      1.461670
  C      -8.635992      1.674591      2.542266
  C      -2.467707     -1.099634      4.112674
  C      -1.799819     -0.583283      2.826310
  C      -2.067735     -1.502458      1.644819
  O      -1.784426     -0.847071      0.381231
  C      -2.713341     -0.034406     -0.122258
  N      -3.846846      0.210285      0.521314
  C      -4.756029      1.021174     -0.097616
  N      -4.642738      1.609181     -1.268054
  C      -3.466102      1.381726     -1.934839
  C      -3.237611      1.973735     -3.199202
  C      -2.043495      1.722366     -3.840164
  C      -1.087083      0.885080     -3.218257
  N      -1.262598      0.309320     -2.037052
  C      -2.435547      0.555429     -1.406139
  C      -6.579197      1.132154      6.499853
  C      -6.809387     -0.225407      7.190830
  C      -7.977991     -0.961613      6.570536
  O      -7.545132     -1.299567      5.217961
  C      -8.421968     -1.894637      4.410608
  N      -9.656341     -2.139921      4.802183
  C     -10.468375     -2.768806      3.909493
  N     -10.162858     -3.211961      2.705576
  C      -8.882962     -2.960177      2.292318
  C      -8.448462     -3.370926      1.009274
  C      -7.172187     -3.041154      0.604224
  C      -6.338358     -2.302731      1.474595
  N      -6.699106     -1.924760      2.696008
  C      -7.948893     -2.256980      3.101529
  H      -3.161124      4.217076      2.401733
  H      -4.339890      2.909751      2.315811
  H      -4.692107      5.555701      3.851643
  H      -5.401075      5.154957      2.286925
  H      -7.040534      4.938516      4.163844
  H      -6.020997      3.690701      4.928549
  H     -10.461486      2.898967      5.631315
  H     -11.542666     -0.089924      2.242995
  H     -10.270420     -0.855650      0.198916
  H      -7.966580      0.023371     -0.196336
  H      -1.901374     -1.953616      4.526075
  H      -3.469130     -1.486573      3.863571
  H      -0.717417     -0.449429      2.966359
  H      -2.220540      0.407613      2.597976
  H      -3.115685     -1.837201      1.644692
  H      -1.410912     -2.380986      1.636328
  H      -5.684651      1.195748      0.459973
  H      -4.011834      2.610267     -3.629843
  H      -1.825431      2.157810     -4.816052
  H      -0.136056      0.681228     -3.718635
  H      -6.886151      1.041573      5.448437
  H      -7.242275      1.897286      6.947997
  H      -5.904851     -0.846044      7.085707
  H      -6.997522     -0.101330      8.268013
  H      -8.886931     -0.344314      6.507248
  H      -8.229521     -1.890873      7.100549
  H     -11.494996     -2.920172      4.248592
  H      -9.141300     -3.920293      0.369878
  H      -6.801784     -3.328902     -0.381023
  H      -5.341237     -1.996270      1.146236
  N      -5.118942      0.579989      3.345922
  H      -4.534605      0.385197      2.511713
  H      -5.820905      1.257788      3.020159
  H      -5.644747     -0.302729      3.501450
99
Coordinates from ORCA-job orca E -6478.845631905654
  N      -3.368988      3.091417      4.151068
  Mo     -3.929803      1.410230      5.024429
  N      -5.222417      1.603828      6.499390
  C      -4.724901      1.990458      7.816911
  C      -3.464761      2.822893      7.635616
  N      -2.599848      2.198849      6.593415
  C      -1.712544      3.193471      5.928415
  C      -2.517187      4.000063      4.921242
  C      -1.834615      1.033560      7.127366
  C      -1.459101      0.102217      5.984593
  N      -2.627747     -0.077829      5.125487
  H      -1.819919      4.534893      4.250976
  H      -3.116162      4.777163      5.434024
  H      -0.933727      2.628242      5.399892
  H      -1.225301      3.834623      6.682174
  H      -1.132779     -0.866266      6.405216
  H      -0.594351      0.505185      5.422105
  H      -2.501444      0.507006      7.822558
  H      -0.950769      1.382987      7.686048
  H      -5.478147      2.595060      8.354653
  H      -4.524708      1.102714      8.448176
  H      -3.738230      3.821355      7.269926
  H      -2.904008      2.939354      8.578070
  C      -3.945714      3.700966      2.955645
  C      -5.050216      4.739412      3.221649
  C      -6.262450      4.203687      3.954933
  O      -6.856231      3.172010      3.112443
  C      -8.065205      2.702805      3.445211
  N      -8.703543      3.144963      4.509934
  C      -9.927627      2.599079      4.761005
  N     -10.568983      1.687180      4.060319
  C      -9.918078      1.234372      2.943127
  C     -10.526437      0.281566      2.092360
  C      -9.836220     -0.146370      0.977480
  C      -8.538278      0.355458      0.730027
  N      -7.931891      1.247734      1.502461
  C      -8.622001      1.695509      2.580793
  C      -2.485350     -1.107139      4.100316
  C      -1.814662     -0.589445      2.814549
  C      -2.085526     -1.504713      1.630795
  O      -1.799959     -0.846087      0.368750
  C      -2.721786     -0.023924     -0.132866
  N      -3.856301      0.224104      0.506748
  C      -4.754116      1.049951     -0.108799
  N      -4.629470      1.649603     -1.272197
  C      -3.451606      1.417558     -1.934964
  C      -3.210456      2.020953     -3.191536
  C      -2.015480      1.765467     -3.828058
  C      -1.070200      0.912276     -3.210061
  N      -1.257621      0.325459     -2.035983
  C      -2.431985      0.575878     -1.409323
  C      -6.598537      1.139553      6.470222
  C      -6.840081     -0.208755      7.173514
  C      -8.004477     -0.948951      6.550408
  O      -7.558451     -1.307165      5.207226
  C      -8.424632     -1.925119      4.405024
  N      -9.657828     -2.179581      4.795052
  C     -10.458479     -2.832392      3.908791
  N     -10.142313     -3.287197      2.711708
  C      -8.864518     -3.023591      2.299602
  C      -8.421033     -3.441731      1.022127
  C      -7.149330     -3.097801      0.615772
  C      -6.326950     -2.339660      1.479388
  N      -6.695129     -1.955721      2.695826
  C      -7.941664     -2.300633      3.103175
  H      -3.140658      4.194853      2.379402
  H      -4.343242      2.907782      2.307237
  H      -4.651276      5.575365      3.817810
  H      -5.367687      5.166884      2.257543
  H      -7.010749      4.985794      4.135812
  H      -5.996721      3.743169      4.919242
  H     -10.428441      2.977307      5.656991
  H     -11.523191     -0.084754      2.340762
  H     -10.266574     -0.879352      0.295872
  H      -7.971489      0.002422     -0.137683
  H      -1.921360     -1.962003      4.514537
  H      -3.486361     -1.493034      3.848588
  H      -0.732183     -0.457653      2.956772
  H      -2.234846      0.403092      2.592657
  H      -3.134279     -1.835795      1.630092
  H      -1.431714     -2.385459      1.621201
  H      -5.683410      1.226739      0.446153
  H      -3.976155      2.669635     -3.619697
  H      -1.788513      2.209661     -4.798086
  H      -0.118553      0.705170     -3.707437
  H      -6.896208      1.037116      5.417463
  H      -7.263289      1.911488      6.902983
  H      -5.935839     -0.832745      7.082967
  H      -7.037187     -0.072550      8.247254
  H      -8.910124     -0.328207      6.467838
  H      -8.266630     -1.869897      7.089051
  H     -11.485248     -2.993286      4.246293
  H      -9.105264     -4.007317      0.388840
  H      -6.773051     -3.390202     -0.365323
  H      -5.334521     -2.019279      1.148936
  N      -5.132368      0.573815      3.334454
  H      -4.549096      0.376948      2.499020
  H      -5.837609      1.247072      3.003245
  H      -5.657021     -0.310677      3.491556
99
Coordinates from ORCA-job orca E -6478.845874550788
  N      -3.375749      3.082523      4.138380
  Mo     -3.933781      1.399881      5.012403
  N      -5.239692      1.589664      6.476370
  C      -4.754361      1.983132      7.796282
  C      -3.498225      2.823234      7.621490
  N      -2.620918      2.199768      6.588959
  C      -1.732367      3.197256      5.928613
  C      -2.533480      3.995804      4.912397
  C      -1.853981      1.040367      7.133273
  C      -1.461517      0.110624      5.995114
  N      -2.621704     -0.078723      5.127190
  H      -1.833900      4.532814      4.246271
  H      -3.138754      4.771832      5.419539
  H      -0.945241      2.634308      5.410384
  H      -1.256111      3.845211      6.683531
  H      -1.130116     -0.854258      6.419925
  H      -0.595812      0.519828      5.438566
  H      -2.524253      0.509385      7.822004
  H      -0.978337      1.396517      7.700381
  H      -5.515637      2.582520      8.328370
  H      -4.551733      1.099360      8.432408
  H      -3.775246      3.817816      7.248125
  H      -2.945709      2.948149      8.567594
  C      -3.940125      3.681669      2.931758
  C      -5.022834      4.747260      3.179540
  C      -6.240747      4.249265      3.930061
  O      -6.851865      3.205464      3.115535
  C      -8.061945      2.756108      3.469095
  N      -8.688782      3.229612      4.526735
  C      -9.912925      2.697579      4.804199
  N     -10.565076      1.770642      4.133936
  C      -9.926974      1.284607      3.023048
  C     -10.546533      0.311581      2.204574
  C      -9.868499     -0.148408      1.094980
  C      -8.570536      0.339558      0.822366
  N      -7.952702      1.249145      1.565835
  C      -8.631917      1.729572      2.636746
  C      -2.466227     -1.109267      4.104395
  C      -1.795509     -0.587348      2.819523
  C      -2.059284     -1.503178      1.634569
  O      -1.779917     -0.841657      0.372445
  C      -2.708114     -0.026686     -0.129079
  N      -3.848557      0.206669      0.505913
  C      -4.751675      1.025434     -0.111281
  N      -4.627125      1.630667     -1.271538
  C      -3.444519      1.412272     -1.930804
  C      -3.204564      2.020610     -3.185164
  C      -2.005458      1.777271     -3.818576
  C      -1.054734      0.930880     -3.199780
  N      -1.240784      0.340094     -2.027342
  C      -2.419325      0.578835     -1.403399
  C      -6.612912      1.116651      6.438762
  C      -6.854644     -0.226582      7.150279
  C      -8.010513     -0.976143      6.523366
  O      -7.555672     -1.338561      5.184722
  C      -8.416860     -1.959152      4.378936
  N      -9.650037     -2.218365      4.766368
  C     -10.448974     -2.869881      3.877899
  N     -10.132253     -3.311907      2.676703
  C      -8.855464     -3.041337      2.265458
  C      -8.412963     -3.446909      0.983909
  C      -7.142190     -3.098405      0.579707
  C      -6.319559     -2.347997      1.449402
  N      -6.686157     -1.974938      2.668692
  C      -7.932558     -2.324615      3.074779
  H      -3.125849      4.148893      2.346071
  H      -4.353867      2.884642      2.298364
  H      -4.605505      5.588378      3.756216
  H      -5.335048      5.159420      2.206636
  H      -6.977959      5.045746      4.092880
  H      -5.977153      3.810282      4.905507
  H     -10.403018      3.103925      5.693161
  H     -11.542365     -0.043851      2.472016
  H     -10.310279     -0.895169      0.435757
  H      -8.014217     -0.037594     -0.041305
  H      -1.897548     -1.959488      4.522202
  H      -3.463153     -1.503608      3.849575
  H      -0.714307     -0.446551      2.964143
  H      -2.223615      0.402749      2.600763
  H      -3.105263     -1.842146      1.632967
  H      -1.398900     -2.378903      1.626451
  H      -5.687043      1.187713      0.438449
  H      -3.974528      2.663228     -3.614495
  H      -1.779602      2.225048     -4.787207
  H      -0.100105      0.733080     -3.695431
  H      -6.899041      1.003522      5.384354
  H      -7.285747      1.888653      6.857448
  H      -5.946384     -0.845854      7.070335
  H      -7.060729     -0.084177      8.221124
  H      -8.918293     -0.360280      6.431749
  H      -8.271403     -1.895674      7.064770
  H     -11.475596     -3.040378      4.216639
  H      -9.097039     -4.009770      0.347917
  H      -6.765570     -3.382795     -0.402885
  H      -5.327152     -2.025223      1.121491
  N      -5.120800      0.537201      3.322660
  H      -4.533229      0.342320      2.488861
  H      -5.835037      1.196898      2.981656
  H      -5.633157     -0.354219      3.483008
99
Coordinates from ORCA-job orca E -6478.846103844366
  N      -3.381865      3.077246      4.125177
  Mo     -3.956717      1.397461      4.995402
  N      -5.275991      1.585530      6.448256
  C      -4.803230      1.978770      7.772886
  C      -3.545414      2.819239      7.610383
  N      -2.659075      2.192915      6.586582
  C      -1.760007      3.189143      5.934920
  C      -2.544789      3.988342      4.906803
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  H      -1.833527      4.519327      4.247782
  H      -3.150601      4.770921      5.403369
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  H      -1.290503      3.838309      6.692828
  H      -1.169437     -0.859943      6.429680
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  H      -5.570696      2.577442      8.297064
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  H      -3.820991      3.813367      7.232927
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  C      -2.423952      0.594333     -1.400757
  C      -6.645727      1.098194      6.404522
  C      -6.879162     -0.235973      7.137230
  C      -8.019175     -1.009552      6.510675
  O      -7.544801     -1.389331      5.185224
  C      -8.396820     -2.012779      4.372706
  N      -9.635337     -2.264013      4.747306
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  H      -4.534534      5.612793      3.670764
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  H     -10.327979     -0.887324      0.552950
  H      -8.044937     -0.027801      0.016875
  H      -1.914332     -1.960030      4.513907
  H      -3.477400     -1.503013      3.835738
  H      -0.726667     -0.438919      2.964872
  H      -2.234718      0.410515      2.601138
  H      -3.117156     -1.827820      1.624176
  H      -1.412558     -2.370801      1.624217
  H      -5.702734      1.182104      0.430392
  H      -3.981070      2.679520     -3.609633
  H      -1.780615      2.251055     -4.779328
  H      -0.099769      0.761190     -3.688902
  H      -6.920385      0.965766      5.348896
  H      -7.329520      1.870883      6.804948
  H      -5.962650     -0.844938      7.078801
  H      -7.099611     -0.077860      8.203113
  H      -8.932027     -0.405737      6.397762
  H      -8.275733     -1.921970      7.066403
  H     -11.459997     -3.079516      4.185164
  H      -9.065570     -4.028746      0.320614
  H      -6.716397     -3.429683     -0.402774
  H      -5.271281     -2.114203      1.150123
  N      -5.128752      0.534519      3.292083
  H      -4.538093      0.350737      2.458531
  H      -5.846080      1.189666      2.952893
  H      -5.634884     -0.359341      3.443526
99
Coordinates from ORCA-job orca E -6478.846261030295
  N      -3.384630      3.065293      4.111599
  Mo     -3.980339      1.395352      4.987116
  N      -5.297033      1.596687      6.440805
  C      -4.821025      1.990959      7.763795
  C      -3.557180      2.821054      7.597791
  N      -2.676339      2.182620      6.576883
  C      -1.767347      3.169173      5.924533
  C      -2.543042      3.972058      4.892653
  C      -1.929382      1.016071      7.131831
  C      -1.531938      0.083303      5.998374
  N      -2.682521     -0.094226      5.115636
  H      -1.825139      4.494621      4.234051
  H      -3.143179      4.761881      5.384685
  H      -0.979040      2.594531      5.419437
  H      -1.293888      3.816700      6.681281
  H      -1.215532     -0.884613      6.427420
  H      -0.655180      0.482849      5.450583
  H      -2.614112      0.489614      7.810798
  H      -1.057653      1.361624      7.711880
  H      -5.584158      2.596672      8.286218
  H      -4.632117      1.108780      8.406056
  H      -3.825391      3.815231      7.215304
  H      -3.012180      2.948808      8.547756
  C      -3.897858      3.649070      2.875645
  C      -4.939524      4.762399      3.072375
  C      -6.168975      4.331710      3.843082
  O      -6.788393      3.251684      3.085006
  C      -7.988300      2.810549      3.476706
  N      -8.595476      3.315943      4.530361
  C      -9.808523      2.785783      4.851201
  N     -10.468177      1.833955      4.224550
  C      -9.853399      1.318381      3.114312
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  C      -9.831564     -0.166184      1.225302
  C      -8.539898      0.317388      0.913396
  N      -7.909539      1.248173      1.618411
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  C      -6.888622     -0.224293      7.147918
  C      -8.024451     -1.013040      6.532425
  O      -7.555536     -1.392477      5.204950
  C      -8.401809     -2.039805      4.405424
  N      -9.623516     -2.334235      4.803087
  C     -10.412987     -3.007063      3.923189
  N     -10.101145     -3.426217      2.713616
  C      -8.836179     -3.119688      2.289487
  C      -8.402521     -3.498193      0.996336
  C      -7.143747     -3.119504      0.581378
  C      -6.325559     -2.366754      1.453395
  N      -6.684368     -2.013159      2.681317
  C      -7.919615     -2.390472      3.096916
  H      -3.053896      4.060896      2.290732
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  H      -1.956401     -1.972157      4.498219
  H      -3.513457     -1.503498      3.815035
  H      -0.751911     -0.447804      2.966077
  H      -2.252185      0.412840      2.600104
  H      -3.142287     -1.812075      1.600072
  H      -1.441894     -2.367291      1.609600
  H      -5.690659      1.237726      0.416046
  H      -3.928248      2.751952     -3.600331
  H      -1.724640      2.310779     -4.760375
  H      -0.067192      0.793249     -3.673284
  H      -6.942219      0.964305      5.350297
  H      -7.351255      1.878788      6.801304
  H      -5.967716     -0.826792      7.090813
  H      -7.106147     -0.059582      8.213369
  H      -8.945261     -0.420530      6.423578
  H      -8.266088     -1.925621      7.094612
  H     -11.426972     -3.217270      4.277805
  H      -9.082729     -4.068906      0.361058
  H      -6.772137     -3.384095     -0.409397
  H      -5.340938     -2.027399      1.119698
  N      -5.171437      0.534591      3.294606
  H      -4.589001      0.343547      2.456359
  H      -5.888875      1.191342      2.957137
  H      -5.681511     -0.355795      3.454703
99
Coordinates from ORCA-job orca E -6478.846493792407
  N      -3.371745      3.046648      4.093084
  Mo     -3.975602      1.385203      4.976263
  N      -5.306609      1.594474      6.416836
  C      -4.842500      2.003544      7.739838
  C      -3.577917      2.833131      7.577968
  N      -2.686657      2.187399      6.571467
  C      -1.771964      3.167501      5.919076
  C      -2.536944      3.962173      4.873054
  C      -1.946615      1.024362      7.142873
  C      -1.536515      0.082838      6.021262
  N      -2.676066     -0.100979      5.124743
  H      -1.813802      4.477928      4.214996
  H      -3.142929      4.755832      5.351424
  H      -0.980875      2.588431      5.423933
  H      -1.303614      3.819293      6.675501
  H      -1.226863     -0.882964      6.460464
  H      -0.652694      0.477738      5.481581
  H      -2.640490      0.505967      7.818158
  H      -1.080639      1.372739      7.730297
  H      -5.610310      2.617465      8.246096
  H      -4.662085      1.127324      8.392236
  H      -3.843265      3.823978      7.184884
  H      -3.042861      2.969503      8.532565
  C      -3.879122      3.624581      2.851924
  C      -4.915399      4.744753      3.038167
  C      -6.149660      4.333713      3.813278
  O      -6.791642      3.262128      3.062640
  C      -7.990396      2.839739      3.477174
  N      -8.570450      3.366014      4.537474
  C      -9.782400      2.852038      4.890059
  N     -10.464372      1.898232      4.291109
  C      -9.879899      1.364502      3.172870
  C     -10.540371      0.363242      2.422305
  C      -9.919803     -0.139363      1.298226
  C      -8.635135      0.333644      0.945484
  N      -7.979340      1.264897      1.623863
  C      -8.603617      1.788803      2.709302
  C      -2.491924     -1.121234      4.095736
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  C      -8.022454     -1.029575      6.512266
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  N      -9.619832     -2.367513      4.791414
  C     -10.406403     -3.046509      3.912859
  N     -10.096290     -3.463075      2.701552
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  C      -7.152201     -3.121598      0.555346
  C      -6.336036     -2.365109      1.426084
  N      -6.692930     -2.019390      2.657635
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  H      -5.209197      5.115522      2.043867
  H      -6.859607      5.163312      3.927313
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  H     -10.233628      3.298621      5.781525
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  H     -10.396289     -0.908182      0.690345
  H      -8.122505     -0.079363      0.071250
  H      -1.918289     -1.968806      4.512604
  H      -3.479796     -1.525704      3.821217
  H      -0.729858     -0.425323      2.990390
  H      -2.239956      0.410709      2.609151
  H      -3.078689     -1.834934      1.602645
  H      -1.364705     -2.347076      1.616595
  H      -5.709728      1.122025      0.393214
  H      -3.952469      2.722484     -3.590197
  H      -1.717170      2.372091     -4.719799
  H      -0.020848      0.907955     -3.618174
  H      -6.948595      0.952161      5.324398
  H      -7.362652      1.865684      6.775354
  H      -5.965510     -0.835403      7.066480
  H      -7.104035     -0.069816      8.189845
  H      -8.946923     -0.441621      6.407702
  H      -8.257655     -1.942766      7.076575
  H     -11.416231     -3.265267      4.270896
  H      -9.084540     -4.083867      0.340578
  H      -6.785841     -3.375111     -0.440213
  H      -5.357215     -2.012108      1.087464
  N      -5.150632      0.506869      3.284440
  H      -4.559044      0.312287      2.453719
  H      -5.869776      1.156043      2.936480
  H      -5.654901     -0.386029      3.451427
99
Coordinates from ORCA-job orca E -6478.843750805497
  N      -3.354132      3.022998      4.049333
  Mo     -3.990805      1.374531      4.930769
  N      -5.356308      1.602359      6.336523
  C      -4.918453      2.026289      7.664241
  C      -3.643012      2.843336      7.521591
  N      -2.731071      2.182631      6.544469
  C      -1.794269      3.149783      5.907427
  C      -2.532318      3.941377      4.839047
  C      -2.015429      1.016421      7.141456
  C      -1.582951      0.064520      6.035936
  N      -2.702172     -0.116921      5.114482
  H      -1.794387      4.451681      4.193712
  H      -3.147232      4.738163      5.300452
  H      -0.995880      2.562938      5.436696
  H      -1.341351      3.803120      6.672102
  H      -1.288689     -0.900237      6.487736
  H      -0.685059      0.452245      5.517212
  H      -2.733037      0.509605      7.798855
  H      -1.163681      1.361121      7.750281
  H      -5.691344      2.651882      8.147748
  H      -4.756805      1.156522      8.330228
  H      -3.888630      3.830650      7.109744
  H      -3.130971      2.986659      8.487615
  C      -3.842519      3.586124      2.794770
  C      -4.855077      4.734484      2.941519
  C      -6.085664      4.381229      3.752415
  O      -6.762277      3.287816      3.069014
  C      -7.946560      2.902278      3.549253
  N      -8.490623      3.508210      4.586493
  C      -9.679546      3.013624      5.030449
  N     -10.366866      1.997299      4.549200
  C      -9.821138      1.378267      3.455081
  C     -10.486910      0.294645      2.832372
  C      -9.906576     -0.293858      1.726809
  C      -8.655874      0.179162      1.267219
  N      -7.993543      1.181638      1.830186
  C      -8.579623      1.786503      2.894283
  C      -2.504739     -1.141348      4.092488
  C      -1.822344     -0.589214      2.826133
  C      -2.034279     -1.488220      1.617822
  O      -1.753103     -0.783649      0.378363
  C      -2.707111     -0.004993     -0.133247
  N      -3.885079      0.133654      0.459938
  C      -4.811579      0.920734     -0.162542
  N      -4.678165      1.581784     -1.290475
  C      -3.456700      1.466374     -1.903248
  C      -3.202364      2.146024     -3.117355
  C      -1.964100      2.006465     -3.705263
  C      -0.989372      1.192492     -3.080921
  N      -1.187528      0.537396     -1.945446
  C      -2.404267      0.673296     -1.366790
  C      -6.723431      1.113169      6.273385
  C      -6.977600     -0.202070      7.033626
  C      -8.101899     -0.990183      6.394171
  O      -7.590445     -1.406949      5.091949
  C      -8.420131     -2.040408      4.264495
  N      -9.673935     -2.279759      4.599058
  C     -10.440397     -2.927798      3.678882
  N     -10.080261     -3.369993      2.490369
  C      -8.783005     -3.122700      2.136859
  C      -8.299350     -3.526171      0.870448
  C      -7.001461     -3.214479      0.526559
  C      -6.194432     -2.503807      1.443582
  N      -6.605763     -2.126015      2.648064
  C      -7.880194     -2.435055      2.991520
  H      -2.981301      3.954995      2.204438
  H      -4.299630      2.779363      2.205127
  H      -4.382459      5.601712      3.430415
  H      -5.153034      5.068568      1.934738
  H      -6.778279      5.228152      3.836790
  H      -5.832188      4.033769      4.765597
  H     -10.102336      3.529866      5.897616
  H     -11.442051     -0.040667      3.239746
  H     -10.386729     -1.127857      1.215349
  H      -8.172346     -0.294906      0.406295
  H      -1.924388     -1.979950      4.516287
  H      -3.486110     -1.558676      3.815411
  H      -0.748164     -0.423748      2.994339
  H      -2.269697      0.393019      2.610420
  H      -3.067321     -1.863169      1.588728
  H      -1.343706     -2.340424      1.600550
  H      -5.776590      1.001040      0.353472
  H      -3.992590      2.759210     -3.552624
  H      -1.725191      2.512213     -4.641598
  H      -0.003838      1.077243     -3.539800
  H      -6.972894      0.949221      5.216296
  H      -7.415329      1.896384      6.635714
  H      -6.060776     -0.814027      7.018771
  H      -7.228272     -0.016551      8.088410
  H      -9.008056     -0.384459      6.235488
  H      -8.382344     -1.883951      6.967817
  H     -11.478276     -3.097516      3.975788
  H      -8.972875     -4.056514      0.197265
  H      -6.592459     -3.496771     -0.443827
  H      -5.177978     -2.211994      1.165750
  N      -5.134615      0.476316      3.233069
  H      -4.526450      0.274304      2.415552
  H      -5.853079      1.113084      2.858047
  H      -5.637963     -0.421812      3.402108
99
Coordinates from ORCA-job orca E -6478.846656365439
  N      -3.365077      3.026750      4.078023
  Mo     -3.988664      1.374073      4.963846
  N      -5.326933      1.594641      6.396414
  C      -4.867943      2.011142      7.719051
  C      -3.597432      2.831488      7.558863
  N      -2.703625      2.173641      6.562655
  C      -1.777024      3.144449      5.913952
  C      -2.530817      3.940136      4.860241
  C      -1.978038      1.005977      7.143347
  C      -1.565083      0.058174      6.027581
  N      -2.698836     -0.119308      5.122589
  H      -1.800206      4.449979      4.205689
  H      -3.135677      4.738571      5.332190
  H      -0.985945      2.558489      5.427331
  H      -1.310563      3.795915      6.671950
  H      -1.265202     -0.908349      6.471860
  H      -0.674391      0.445814      5.494398
  H      -2.682744      0.494468      7.812508
  H      -1.115294      1.348621      7.738526
  H      -5.635097      2.631511      8.218351
  H      -4.694268      1.138611      8.378389
  H      -3.853517      3.820593      7.156040
  H      -3.067668      2.971816      8.515847
  C      -3.850225      3.595918      2.823881
  C      -4.868441      4.737168      2.982875
  C      -6.112617      4.361164      3.759699
  O      -6.767166      3.284825      3.026633
  C      -7.970547      2.882618      3.448113
  N      -8.551567      3.441253      4.491299
  C      -9.764581      2.940187      4.858182
  N     -10.445245      1.965873      4.290317
  C      -9.860358      1.397854      3.189242
  C     -10.517727      0.369890      2.472782
  C      -9.897672     -0.165558      1.363268
  C      -8.615829      0.300609      0.992992
  N      -7.960958      1.253934      1.642169
  C      -8.585757      1.810424      2.711097
  C      -2.512954     -1.136747      4.091333
  C      -1.833471     -0.587247      2.823500
  C      -2.071065     -1.482978      1.617572
  O      -1.784128     -0.789596      0.374806
  C      -2.718097      0.022543     -0.121011
  N      -3.874791      0.216642      0.497241
  C      -4.781456      1.037234     -0.113164
  N      -4.645005      1.682124     -1.249481
  C      -3.444789      1.508757     -1.889419
  C      -3.189859      2.165676     -3.115703
  C      -1.972431      1.967012     -3.730271
  C      -1.019259      1.117372     -3.119677
  N      -1.219036      0.482548     -1.973012
  C      -2.415052      0.676352     -1.367913
  C      -6.690584      1.090043      6.359383
  C      -6.902170     -0.230815      7.123452
  C      -8.025498     -1.043174      6.516321
  O      -7.544871     -1.438131      5.197063
  C      -8.381172     -2.101839      4.401426
  N      -9.602531     -2.404976      4.795973
  C     -10.384522     -3.081239      3.911014
  N     -10.068370     -3.489497      2.698284
  C      -8.804014     -3.173565      2.279092
  C      -8.369315     -3.533231      0.981783
  C      -7.108141     -3.151620      0.574305
  C      -6.289354     -2.414431      1.458545
  N      -6.653206     -2.074165      2.689160
  C      -7.890743     -2.452282      3.095704
  H      -2.988354      3.975784      2.242753
  H      -4.298530      2.795277      2.220334
  H      -4.405574      5.593408      3.498259
  H      -5.151830      5.091900      1.979706
  H      -6.810908      5.203340      3.851315
  H      -5.878886      3.989944      4.769630
  H     -10.216956      3.416106      5.732938
  H     -11.497678      0.034183      2.813221
  H     -10.372032     -0.954741      0.780148
  H      -8.104613     -0.136409      0.129859
  H      -1.936067     -1.983289      4.505209
  H      -3.500160     -1.543530      3.818366
  H      -0.755733     -0.435345      2.981945
  H      -2.268195      0.402057      2.612471
  H      -3.112653     -1.835242      1.596113
  H      -1.399012     -2.349821      1.597966
  H      -5.729078      1.167130      0.422567
  H      -3.962982      2.808670     -3.539256
  H      -1.733192      2.452766     -4.677090
  H      -0.050034      0.955153     -3.599978
  H      -6.960761      0.928267      5.306581
  H      -7.385528      1.861676      6.742066
  H      -5.974416     -0.824533      7.082289
  H      -7.127540     -0.050673      8.185096
  H      -8.952406     -0.462454      6.391562
  H      -8.260776     -1.947762      7.093833
  H     -11.396869     -3.302958      4.262639
  H      -9.050930     -4.087296      0.336601
  H      -6.737233     -3.399439     -0.420782
  H      -5.303253     -2.070394      1.131404
  N      -5.163499      0.492771      3.273637
  H      -4.571928      0.298560      2.442882
  H      -5.885036      1.137757      2.922356
  H      -5.665870     -0.401850      3.441554
99
Coordinates from ORCA-job orca E -6478.846770864787
  N      -3.364082      3.029474      4.065214
  Mo     -4.002854      1.383260      4.951693
  N      -5.348382      1.608489      6.377160
  C      -4.896311      2.027231      7.701739
  C      -3.620845      2.841820      7.547489
  N      -2.724366      2.178056      6.557285
  C      -1.788587      3.143328      5.912113
  C      -2.531085      3.940531      4.851923
  C      -2.007960      1.007455      7.142732
  C      -1.590803      0.058790      6.029402
  N      -2.718312     -0.113017      5.115633
  H      -1.793763      4.446234      4.201983
  H      -3.135493      4.742422      5.318190
  H      -0.997687      2.552365      5.431223
  H      -1.323278      3.794384      6.670936
  H      -1.298626     -0.909171      6.475232
  H      -0.694883      0.442496      5.501876
  H      -2.719348      0.497780      7.806731
  H      -1.147997      1.345431      7.744597
  H      -5.664486      2.652753      8.192814
  H      -4.732265      1.156380      8.365372
  H      -3.871197      3.831183      7.141352
  H      -3.095686      2.982354      8.506829
  C      -3.846124      3.601301      2.811564
  C      -4.862167      4.743852      2.974610
  C      -6.095528      4.373703      3.771026
  O      -6.760444      3.291606      3.055990
  C      -7.953184      2.886777      3.502843
  N      -8.513668      3.445379      4.557156
  C      -9.719552      2.945664      4.946101
  N     -10.412040      1.973986      4.388841
  C      -9.847572      1.405451      3.277660
  C     -10.520657      0.379896      2.571265
  C      -9.918852     -0.159087      1.454288
  C      -8.638759      0.301290      1.066694
  N      -7.971984      1.253699      1.704121
  C      -8.579260      1.813217      2.780595
  C      -2.528942     -1.129341      4.083132
  C      -1.834961     -0.579777      2.823685
  C      -2.062179     -1.472315      1.612945
  O      -1.758668     -0.780014      0.373674
  C      -2.688024      0.030086     -0.132935
  N      -3.853312      0.219533      0.471998
  C      -4.758639      1.031796     -0.150949
  N      -4.612497      1.672157     -1.288633
  C      -3.404871      1.501738     -1.917029
  C      -3.141659      2.151838     -3.145495
  C      -1.917632      1.954714     -3.748788
  C      -0.966493      1.113587     -3.124663
  N      -1.173919      0.485573     -1.975489
  C      -2.375997      0.677941     -1.381234
  C      -6.711467      1.100698      6.334754
  C      -6.919229     -0.223651      7.094381
  C      -8.038512     -1.042012      6.486248
  O      -7.561207     -1.431489      5.163848
  C      -8.392056     -2.108603      4.373486
  N      -9.602689     -2.437628      4.779452
  C     -10.376085     -3.136520      3.905212
  N     -10.060510     -3.546751      2.693644
  C      -8.806648     -3.207086      2.262588
  C      -8.372425     -3.574165      0.966970
  C      -7.121798     -3.171930      0.547915
  C      -6.314870     -2.405348      1.418773
  N      -6.678112     -2.056603      2.647547
  C      -7.904436     -2.456029      3.065852
  H      -2.984138      3.980754      2.230767
  H      -4.296330      2.801960      2.207737
  H      -4.391511      5.602753      3.478626
  H      -5.157764      5.092721      1.972565
  H      -6.791135      5.217864      3.867917
  H      -5.848050      4.009804      4.781236
  H     -10.153579      3.418257      5.833227
  H     -11.497543      0.046981      2.925884
  H     -10.407511     -0.945467      0.876941
  H      -8.141037     -0.139635      0.198733
  H      -1.959204     -1.979773      4.498996
  H      -3.515633     -1.531052      3.800327
  H      -0.758400     -0.432065      2.992682
  H      -2.262709      0.411837      2.608576
  H      -3.104701     -1.821060      1.578114
  H      -1.393319     -2.341418      1.600565
  H      -5.713793      1.159323      0.374854
  H      -3.913771      2.787879     -3.579889
  H      -1.671834      2.434616     -4.696891
  H       0.007610      0.952183     -3.596065
  H      -6.978626      0.941995      5.280797
  H      -7.409188      1.868794      6.719276
  H      -5.988876     -0.812446      7.053473
  H      -7.146782     -0.046740      8.155988
  H      -8.970686     -0.469663      6.368059
  H      -8.262889     -1.950157      7.062757
  H     -11.377976     -3.382692      4.267899
  H      -9.045036     -4.154444      0.332069
  H      -6.750289     -3.426429     -0.445531
  H      -5.337039     -2.049338      1.083174
  N      -5.174096      0.505485      3.255918
  H      -4.581323      0.314805      2.425027
  H      -5.896264      1.150784      2.906941
  H      -5.673782     -0.390433      3.422783
99
Coordinates from ORCA-job orca E -6478.846943043189
  N      -3.357344      3.012037      4.061726
  Mo     -4.006539      1.370972      4.950097
  N      -5.357777      1.602976      6.369327
  C      -4.909797      2.026663      7.693834
  C      -3.630865      2.836111      7.541080
  N      -2.731888      2.165530      6.558045
  C      -1.788740      3.124739      5.914568
  C      -2.522026      3.921748      4.847186
  C      -2.023629      0.993335      7.149777
  C      -1.604646      0.039423      6.041291
  N      -2.728177     -0.129847      5.121918
  H      -1.778575      4.419450      4.197798
  H      -3.123460      4.729896      5.306698
  H      -0.997892      2.528641      5.439934
  H      -1.324378      3.775878      6.674053
  H      -1.319767     -0.928676      6.491798
  H      -0.703676      0.417063      5.517987
  H      -2.740428      0.488463      7.811512
  H      -1.165256      1.329018      7.755334
  H      -5.677819      2.657268      8.178767
  H      -4.751425      1.158545      8.362544
  H      -3.876237      3.823985      7.128496
  H      -3.109595      2.980102      8.502147
  C      -3.821158      3.573385      2.796198
  C      -4.825320      4.730557      2.931647
  C      -6.068582      4.391886      3.725656
  O      -6.741974      3.301946      3.030777
  C      -7.944989      2.927479      3.478197
  N      -8.511455      3.532591      4.503526
  C      -9.728853      3.063300      4.895987
  N     -10.427558      2.079905      4.366661
  C      -9.856697      1.462467      3.285082
  C     -10.534426      0.420357      2.608799
  C      -9.926624     -0.167537      1.519592
  C      -8.635825      0.259780      1.131851
  N      -7.963813      1.226368      1.742071
  C      -8.577156      1.835084      2.788878
  C      -2.531195     -1.138914      4.083667
  C      -1.846136     -0.578062      2.824135
  C      -2.072956     -1.466598      1.610116
  O      -1.778117     -0.765549      0.373456
  C      -2.711415      0.045862     -0.124303
  N      -3.873742      0.230482      0.486331
  C      -4.781402      1.048307     -0.126513
  N      -4.640257      1.698951     -1.258893
  C      -3.435142      1.533953     -1.892652
  C      -3.176350      2.196018     -3.115459
  C      -1.954441      2.004988     -3.723988
  C      -1.000796      1.158001     -3.110702
  N      -1.204012      0.518887     -1.966889
  C      -2.404221      0.705184     -1.367591
  C      -6.719274      1.089797      6.326603
  C      -6.926001     -0.233067      7.088549
  C      -8.038591     -1.056513      6.475565
  O      -7.552029     -1.446904      5.156748
  C      -8.376682     -2.128705      4.363676
  N      -9.590551     -2.456455      4.761693
  C     -10.356662     -3.161488      3.885187
  N     -10.030934     -3.577951      2.678030
  C      -8.773217     -3.239647      2.255652
  C      -8.325456     -3.616281      0.967566
  C      -7.071106     -3.215831      0.556957
  C      -6.272624     -2.443141      1.429310
  N      -6.648179     -2.086700      2.651908
  C      -7.878777     -2.482901      3.061609
  H      -2.949400      3.934769      2.218430
  H      -4.274874      2.771473      2.198516
  H      -4.348961      5.594002      3.422115
  H      -5.109424      5.063331      1.921113
  H      -6.754779      5.246112      3.798110
  H      -5.833970      4.047932      4.745048
  H     -10.168773      3.577095      5.755934
  H     -11.519785      0.115097      2.962782
  H     -10.419030     -0.965840      0.963864
  H      -8.134381     -0.220283      0.286486
  H      -1.953484     -1.986452      4.494183
  H      -3.515348     -1.547101      3.801285
  H      -0.769958     -0.422310      2.989179
  H      -2.282350      0.411149      2.615370
  H      -3.113857     -1.820542      1.578021
  H      -1.399349     -2.332066      1.590411
  H      -5.733320      1.172250      0.404177
  H      -3.950096      2.836465     -3.541350
  H      -1.711875      2.494408     -4.668094
  H      -0.028133      1.001680     -3.586339
  H      -6.984290      0.926965      5.272643
  H      -7.419509      1.857077      6.708212
  H      -5.992769     -0.818403      7.055057
  H      -7.161146     -0.054386      8.148328
  H      -8.972224     -0.487330      6.350579
  H      -8.262870     -1.964338      7.052519
  H     -11.362284     -3.405664      4.241087
  H      -8.990277     -4.203128      0.332675
  H      -6.689657     -3.477379     -0.430726
  H      -5.290908     -2.089164      1.100547
  N      -5.175762      0.493419      3.254413
  H      -4.583849      0.312583      2.420741
  H      -5.906183      1.132720      2.911166
  H      -5.665624     -0.407611      3.419602
99
Coordinates from ORCA-job orca E -6478.847037990390
  N      -3.361996      2.987502      4.033378
  Mo     -4.024375      1.356658      4.930872
  N      -5.388605      1.600440      6.336201
  C      -4.951131      2.043006      7.658127
  C      -3.671107      2.850069      7.504948
  N      -2.762783      2.165464      6.540706
  C      -1.809755      3.115115      5.898737
  C      -2.531533      3.902843      4.816325
  C      -2.066781      0.996079      7.151989
  C      -1.634073      0.032664      6.056815
  N      -2.745340     -0.141298      5.124034
  H      -1.781415      4.393446      4.169115
  H      -3.135739      4.716284      5.263093
  H      -1.014583      2.512844      5.440085
  H      -1.353386      3.772900      6.657432
  H      -1.355831     -0.931977      6.518714
  H      -0.725709      0.405684      5.543633
  H      -2.795620      0.498141      7.805369
  H      -1.217212      1.333872      7.768343
  H      -5.722898      2.678220      8.130910
  H      -4.794964      1.184120      8.339464
  H      -3.911182      3.831160      7.074001
  H      -3.159437      3.008520      8.468881
  C      -3.803363      3.530945      2.752511
  C      -4.781147      4.713602      2.856807
  C      -6.027674      4.419160      3.662949
  O      -6.721357      3.322006      3.000640
  C      -7.914828      2.961645      3.481822
  N      -8.453253      3.582986      4.512358
  C      -9.660783      3.123620      4.943510
  N     -10.374398      2.131540      4.450298
  C      -9.834753      1.497309      3.362839
  C     -10.530170      0.442633      2.724311
  C      -9.955741     -0.159956      1.624930
  C      -8.678931      0.263870      1.190376
  N      -7.988199      1.238834      1.768144
  C      -8.570586      1.862615      2.823806
  C      -2.530882     -1.146536      4.085681
  C      -1.847379     -0.575388      2.828976
  C      -2.059227     -1.463160      1.612247
  O      -1.767844     -0.753651      0.379255
  C      -2.707431      0.049779     -0.119473
  N      -3.877633      0.212507      0.481784
  C      -4.787982      1.028526     -0.128341
  N      -4.643665      1.697341     -1.249529
  C      -3.430753      1.554074     -1.873827
  C      -3.167412      2.236541     -3.084384
  C      -1.937794      2.067763     -3.683332
  C      -0.980607      1.222484     -3.073018
  N      -1.187654      0.564864     -1.940372
  C      -2.395911      0.729160     -1.350715
  C      -6.743260      1.070202      6.295421
  C      -6.942360     -0.241234      7.078048
  C      -8.043305     -1.083608      6.470463
  O      -7.545741     -1.484512      5.159156
  C      -8.362823     -2.175583      4.366227
  N      -9.577370     -2.506650      4.759266
  C     -10.341356     -3.205770      3.875980
  N     -10.016451     -3.603698      2.662064
  C      -8.759119     -3.258796      2.244319
  C      -8.315431     -3.608721      0.946992
  C      -7.061279     -3.203123      0.542017
  C      -6.257344     -2.453178      1.429468
  N      -6.629937     -2.120164      2.659203
  C      -7.861647     -2.520176      3.063071
  H      -2.919638      3.858858      2.172431
  H      -4.272466      2.726387      2.170532
  H      -4.287406      5.580390      3.324020
  H      -5.060027      5.024931      1.837972
  H      -6.700155      5.285684      3.713038
  H      -5.793147      4.098497      4.689539
  H     -10.076232      3.651638      5.806658
  H     -11.503353      0.141226      3.114007
  H     -10.462963     -0.967568      1.096598
  H      -8.202654     -0.228151      0.337374
  H      -1.944550     -1.986314      4.499141
  H      -3.508042     -1.567716      3.798626
  H      -0.774233     -0.406000      2.999614
  H      -2.296381      0.408687      2.623054
  H      -3.095632     -1.828540      1.575755
  H      -1.375924     -2.320941      1.593049
  H      -5.744904      1.134779      0.396229
  H      -3.944069      2.874650     -3.508642
  H      -1.691904      2.573600     -4.617975
  H      -0.001879      1.083986     -3.541409
  H      -6.999906      0.884394      5.243003
  H      -7.453706      1.836377      6.659420
  H      -6.003140     -0.818276      7.059886
  H      -7.186145     -0.048166      8.133119
  H      -8.980916     -0.523228      6.332276
  H      -8.263632     -1.986205      7.056644
  H     -11.345696     -3.458408      4.228998
  H      -8.984382     -4.179130      0.301638
  H      -6.683281     -3.444248     -0.452159
  H      -5.275805     -2.093631      1.106121
  N      -5.186144      0.448698      3.248917
  H      -4.593939      0.266302      2.415321
  H      -5.930089      1.067534      2.894986
  H      -5.660556     -0.458814      3.425784
99
Coordinates from ORCA-job orca E -6478.847131680433
  N      -3.358354      2.994916      4.031016
  Mo     -4.033780      1.364574      4.919567
  N      -5.410212      1.603667      6.314682
  C      -4.983557      2.048150      7.639690
  C      -3.700985      2.853409      7.497593
  N      -2.784928      2.167701      6.541520
  C      -1.823255      3.115876      5.910402
  C      -2.532770      3.907078      4.822886
  C      -2.097937      0.994957      7.156114
  C      -1.655425      0.033955      6.062529
  N      -2.756875     -0.134072      5.117155
  H      -1.775887      4.397152      4.183437
  H      -3.139616      4.720878      5.265396
  H      -1.025386      2.512464      5.458146
  H      -1.372400      3.771218      6.674440
  H      -1.385024     -0.932723      6.524802
  H      -0.740615      0.405657      5.559824
  H      -2.834763      0.496205      7.800057
  H      -1.254194      1.328168      7.782993
  H      -5.758814      2.685194      8.104241
  H      -4.835243      1.190125      8.323746
  H      -3.935843      3.834746      7.064182
  H      -3.197950      3.011732      8.466066
  C      -3.789387      3.544190      2.749234
  C      -4.760524      4.732836      2.851192
  C      -6.003937      4.451434      3.666561
  O      -6.706133      3.351455      3.018144
  C      -7.898132      3.000272      3.508790
  N      -8.433349      3.638687      4.530773
  C      -9.641740      3.189879      4.969782
  N     -10.359091      2.192841      4.492249
  C      -9.820940      1.538434      3.415975
  C     -10.517916      0.472801      2.796885
  C      -9.942880     -0.152415      1.710792
  C      -8.664032      0.260166      1.270598
  N      -7.973066      1.245561      1.829338
  C      -8.555909      1.891234      2.871198
  C      -2.536321     -1.138255      4.078331
  C      -1.849235     -0.565190      2.824738
  C      -2.052374     -1.454109      1.607121
  O      -1.757954     -0.744919      0.374532
  C      -2.696881      0.057016     -0.127636
  N      -3.868108      0.221280      0.471812
  C      -4.777140      1.037055     -0.140362
  N      -4.631613      1.702258     -1.263531
  C      -3.418593      1.555934     -1.887210
  C      -3.154704      2.233294     -3.100573
  C      -1.925046      2.061438     -3.698938
  C      -0.968412      1.218475     -3.085038
  N      -1.176011      0.565618     -1.949749
  C      -2.384269      0.732645     -1.360808
  C      -6.759632      1.060104      6.269108
  C      -6.945441     -0.255746      7.048628
  C      -8.041100     -1.108569      6.445709
  O      -7.548067     -1.509039      5.132300
  C      -8.364506     -2.209707      4.347108
  N      -9.574983     -2.545889      4.748302
  C     -10.339366     -3.253935      3.872750
  N     -10.018979     -3.655238      2.658985
  C      -8.765593     -3.306759      2.233022
  C      -8.326678     -3.663023      0.935840
  C      -7.074970     -3.257149      0.523727
  C      -6.269193     -2.500800      1.404260
  N      -6.637587     -2.161514      2.633579
  C      -7.867089     -2.560646      3.044014
  H      -2.900859      3.869044      2.174776
  H      -4.260064      2.743802      2.163011
  H      -4.258716      5.599628      3.310024
  H      -5.043376      5.039426      1.831879
  H      -6.671431      5.322001      3.713370
  H      -5.765292      4.138837      4.694824
  H     -10.055321      3.732479      5.825099
  H     -11.491808      0.179896      3.191678
  H     -10.450769     -0.969827      1.197833
  H      -8.186784     -0.251041      0.429694
  H      -1.949155     -1.976832      4.493197
  H      -3.511217     -1.562114      3.787343
  H      -0.777292     -0.392666      2.999928
  H      -2.299770      0.417499      2.615482
  H      -3.087249     -1.823211      1.565720
  H      -1.365994     -2.309460      1.591418
  H      -5.734623      1.145439      0.383517
  H      -3.931005      2.869760     -3.527527
  H      -1.678768      2.562968     -4.635726
  H       0.010242      1.077411     -3.552922
  H      -7.013745      0.875659      5.216078
  H      -7.477775      1.817400      6.636332
  H      -6.001300     -0.824244      7.027998
  H      -7.188653     -0.066031      8.104453
  H      -8.984575     -0.557492      6.312719
  H      -8.249425     -2.012303      7.034651
  H     -11.339522     -3.513177      4.232907
  H      -8.996371     -4.239656      0.296283
  H      -6.700476     -3.503121     -0.470491
  H      -5.289683     -2.141576      1.075372
  N      -5.183452      0.460956      3.227480
  H      -4.585886      0.286248      2.396232
  H      -5.930872      1.075563      2.872794
  H      -5.651449     -0.451161      3.399249
99
Coordinates from ORCA-job orca E -6478.847131157797
  N      -3.363781      2.998334      4.032032
  Mo     -4.049073      1.373540      4.922580
  N      -5.421628      1.616097      6.321598
  C      -4.992409      2.060890      7.645719
  C      -3.705358      2.859110      7.501672
  N      -2.794596      2.168656      6.543852
  C      -1.828102      3.111419      5.911377
  C      -2.532478      3.906294      4.823519
  C      -2.112997      0.991865      7.155651
  C      -1.676793      0.029140      6.060955
  N      -2.778833     -0.130208      5.114594
  H      -1.772407      4.390650      4.183700
  H      -3.134541      4.724471      5.264356
  H      -1.034302      2.503268      5.457932
  H      -1.372266      3.764122      6.674600
  H      -1.414578     -0.939992      6.522755
  H      -0.759059      0.393505      5.557805
  H      -2.850679      0.495367      7.800799
  H      -1.266266      1.318784      7.782147
  H      -5.764363      2.704564      8.106727
  H      -4.851482      1.203671      8.332126
  H      -3.936484      3.841863      7.069022
  H      -3.199834      3.015493      8.469155
  C      -3.800617      3.557358      2.756501
  C      -4.776891      4.740691      2.875700
  C      -6.008392      4.452573      3.706556
  O      -6.717980      3.354718      3.062560
  C      -7.909274      3.006905      3.558031
  N      -8.440330      3.648809      4.580261
  C      -9.656040      3.213350      5.012244
  N     -10.385327      2.229665      4.526015
  C      -9.848136      1.568533      3.453541
  C     -10.555497      0.513255      2.827655
  C      -9.977077     -0.124096      1.751203
  C      -8.685710      0.266975      1.326407
  N      -7.988615      1.245379      1.887550
  C      -8.573463      1.903028      2.920409
  C      -2.564059     -1.135055      4.074749
  C      -1.873022     -0.566925      2.822306
  C      -2.076346     -1.459757      1.607055
  O      -1.770300     -0.760347      0.371842
  C      -2.700806      0.046048     -0.138642
  N      -3.869840      0.229615      0.460071
  C      -4.771114      1.048244     -0.159985
  N      -4.620503      1.696764     -1.292242
  C      -3.410715      1.528607     -1.917065
  C      -3.142705      2.185781     -3.140695
  C      -1.916266      1.992145     -3.739821
  C      -0.967261      1.148094     -3.116062
  N      -1.178990      0.513827     -1.971028
  C      -2.383768      0.701926     -1.381480
  C      -6.769344      1.067465      6.279402
  C      -6.938288     -0.262298      7.039881
  C      -8.023592     -1.121483      6.427261
  O      -7.526228     -1.499475      5.108427
  C      -8.333788     -2.197461      4.311717
  N      -9.542567     -2.548732      4.704143
  C     -10.293518     -3.261505      3.821416
  N      -9.959971     -3.659322      2.610125
  C      -8.705770     -3.300938      2.194798
  C      -8.249109     -3.661789      0.904841
  C      -6.993687     -3.252665      0.506733
  C      -6.203993     -2.486170      1.393223
  N      -6.589984     -2.140214      2.615804
  C      -7.822095     -2.543622      3.012582
  H      -2.915797      3.893238      2.183031
  H      -4.269414      2.761209      2.163255
  H      -4.271363      5.607198      3.330618
  H      -5.075271      5.050246      1.861817
  H      -6.675520      5.322764      3.767955
  H      -5.755876      4.136563      4.730640
  H     -10.067212      3.757843      5.868272
  H     -11.537480      0.234361      3.212478
  H     -10.491343     -0.936354      1.235738
  H      -8.206137     -0.256879      0.494807
  H      -1.980459     -1.976745      4.488473
  H      -3.541238     -1.553780      3.783688
  H      -0.800550     -0.398735      2.998411
  H      -2.316968      0.417057      2.605829
  H      -3.113928     -1.821835      1.561524
  H      -1.395831     -2.319906      1.598705
  H      -5.726443      1.175232      0.364527
  H      -3.913231      2.824280     -3.574730
  H      -1.666533      2.477188     -4.684341
  H       0.008732      0.989683     -3.584261
  H      -7.031385      0.899374      5.225869
  H      -7.488764      1.813940      6.666487
  H      -5.987702     -0.819161      7.010810
  H      -7.183181     -0.089675      8.098491
  H      -8.975485     -0.583427      6.305382
  H      -8.215208     -2.036124      7.005430
  H     -11.292228     -3.533111      4.174890
  H      -8.906494     -4.246411      0.259060
  H      -6.604855     -3.503157     -0.481107
  H      -5.220663     -2.128339      1.075802
  N      -5.205518      0.483208      3.226947
  H      -4.609353      0.310174      2.394902
  H      -5.953153      1.101991      2.879349
  H      -5.673990     -0.427570      3.399280
99
Coordinates from ORCA-job orca E -6478.847232892940
  N      -3.367415      2.981005      4.011644
  Mo     -4.058431      1.360944      4.906864
  N      -5.439264      1.609367      6.297504
  C      -5.016097      2.064084      7.620165
  C      -3.729957      2.863165      7.476874
  N      -2.812930      2.166227      6.530159
  C      -1.841403      3.104196      5.898478
  C      -2.538000      3.892774      4.800703
  C      -2.137810      0.992235      7.154575
  C      -1.693043      0.023663      6.068750
  N      -2.786822     -0.140377      5.113785
  H      -1.773486      4.370763      4.161269
  H      -3.140569      4.715536      5.232312
  H      -1.044878      2.492473      5.454647
  H      -1.390262      3.761275      6.660819
  H      -1.434165     -0.942988      6.537653
  H      -0.770997      0.385954      5.571902
  H      -2.882040      0.500163      7.795487
  H      -1.296354      1.322010      7.786663
  H      -5.790808      2.709220      8.074521
  H      -4.875753      1.211665      8.312792
  H      -3.959249      3.842195      7.034896
  H      -3.230670      3.027582      8.446330
  C      -3.788789      3.526694      2.724986
  C      -4.744654      4.728592      2.815174
  C      -5.980916      4.476671      3.650240
  O      -6.699812      3.369990      3.032770
  C      -7.887918      3.037943      3.544290
  N      -8.406840      3.701436      4.558787
  C      -9.617861      3.276553      5.013536
  N     -10.352797      2.281995      4.558207
  C      -9.829270      1.598552      3.492777
  C     -10.542704      0.528756      2.899501
  C      -9.979299     -0.128824      1.826805
  C      -8.696121      0.256197      1.374182
  N      -7.991801      1.246049      1.906527
  C      -8.562458      1.923328      2.934960
  C      -2.557817     -1.142879      4.075015
  C      -1.862911     -0.566203      2.828245
  C      -2.053283     -1.454504      1.608025
  O      -1.749251     -0.744061      0.378663
  C      -2.684490      0.059426     -0.127477
  N      -3.858360      0.224445      0.466805
  C      -4.763661      1.042220     -0.148008
  N      -4.613108      1.707497     -1.270349
  C      -3.398536      1.558255     -1.890401
  C      -3.129827      2.234245     -3.103493
  C      -1.898489      2.059768     -3.698082
  C      -0.945222      1.215732     -3.080546
  N      -1.157431      0.564069     -1.945479
  C      -2.367107      0.733497     -1.360294
  C      -6.783531      1.052193      6.257985
  C      -6.945921     -0.272516      7.028667
  C      -8.029840     -1.138903      6.424050
  O      -7.535579     -1.521060      5.105525
  C      -8.340528     -2.233941      4.319513
  N      -9.541373     -2.599468      4.724171
  C     -10.292419     -3.322169      3.849163
  N      -9.967337     -3.712981      2.633323
  C      -8.722352     -3.337826      2.204933
  C      -8.277932     -3.685277      0.907223
  C      -7.034074     -3.255837      0.494461
  C      -6.242571     -2.484093      1.374686
  N      -6.616611     -2.151171      2.604361
  C      -7.838104     -2.573375      3.015096
  H      -2.894755      3.836460      2.150866
  H      -4.268367      2.728364      2.143475
  H      -4.227472      5.597657      3.251607
  H      -5.036093      5.019033      1.793734
  H      -6.639035      5.354975      3.687553
  H      -5.732968      4.183419      4.682017
  H     -10.018864      3.839960      5.861693
  H     -11.518199      0.256513      3.304738
  H     -10.498586     -0.952836      1.335930
  H      -8.228191     -0.282442      0.545305
  H      -1.970247     -1.980305      4.491878
  H      -3.529727     -1.569121      3.777120
  H      -0.792825     -0.391133      3.012219
  H      -2.312993      0.415492      2.614294
  H      -3.087303     -1.825476      1.556978
  H      -1.365133     -2.308502      1.596984
  H      -5.722366      1.153330      0.373251
  H      -3.903778      2.871636     -3.533259
  H      -1.648290      2.560042     -4.634463
  H       0.034796      1.072622     -3.545182
  H      -7.043816      0.873044      5.205829
  H      -7.507375      1.798016      6.637783
  H      -5.993090     -0.825696      7.000531
  H      -7.188585     -0.094505      8.086858
  H      -8.983300     -0.603642      6.300473
  H      -8.218572     -2.050548      7.007689
  H     -11.284492     -3.606818      4.212491
  H      -8.936095     -4.275039      0.267525
  H      -6.655553     -3.494831     -0.500085
  H      -5.268886     -2.109397      1.046088
  N      -5.209048      0.450851      3.218799
  H      -4.613748      0.285059      2.384462
  H      -5.970378      1.052562      2.869713
  H      -5.660490     -0.467750      3.394477
99
Coordinates from ORCA-job orca E -6478.847214765703
  N      -3.374128      2.979250      4.008839
  Mo     -4.062403      1.358123      4.905021
  N      -5.446915      1.601604      6.293128
  C      -5.028148      2.065096      7.614089
  C      -3.745411      2.868904      7.469051
  N      -2.822908      2.171524      6.528197
  C      -1.852009      3.110821      5.898528
  C      -2.548088      3.894392      4.796565
  C      -2.146666      1.000864      7.157032
  C      -1.694603      0.031368      6.074553
  N      -2.784443     -0.137043      5.116135
  H      -1.782763      4.372210      4.157724
  H      -3.153022      4.717453      5.224563
  H      -1.050952      2.501106      5.460545
  H      -1.407055      3.771371      6.661611
  H      -1.434639     -0.933410      6.546719
  H      -0.771616      0.395153      5.581111
  H      -2.891467      0.506577      7.795202
  H      -1.309271      1.334433      7.792252
  H      -5.806569      2.707706      8.065701
  H      -4.883307      1.216957      8.311472
  H      -3.977322      3.844063      7.020369
  H      -3.249265      3.041195      8.438783
  C      -3.785990      3.516906      2.715816
  C      -4.734348      4.726304      2.793516
  C      -5.970789      4.488709      3.632871
  O      -6.695648      3.378926      3.028751
  C      -7.882462      3.055989      3.548660
  N      -8.392411      3.725113      4.563659
  C      -9.604742      3.310656      5.024525
  N     -10.349314      2.319992      4.575892
  C      -9.834727      1.628453      3.511738
  C     -10.556174      0.559102      2.927858
  C     -10.000696     -0.108148      1.856919
  C      -8.717046      0.265587      1.397095
  N      -8.004376      1.254686      1.921794
  C      -8.567985      1.942492      2.947185
  C      -2.546810     -1.135357      4.075771
  C      -1.861430     -0.550382      2.827362
  C      -2.042937     -1.443069      1.609229
  O      -1.741845     -0.733011      0.378690
  C      -2.682779      0.057068     -0.138323
  N      -3.867152      0.203776      0.439262
  C      -4.772878      1.013228     -0.185426
  N      -4.615041      1.686822     -1.301693
  C      -3.390116      1.555192     -1.904811
  C      -3.112021      2.241145     -3.110111
  C      -1.870320      2.084863     -3.687158
  C      -0.915885      1.248566     -3.060379
  N      -1.136580      0.588153     -1.931911
  C      -2.356785      0.739860     -1.363982
  C      -6.783564      1.026712      6.257193
  C      -6.930461     -0.299666      7.027425
  C      -8.011314     -1.174073      6.429234
  O      -7.521876     -1.557306      5.109275
  C      -8.335605     -2.262170      4.324478
  N      -9.541674     -2.609391      4.728833
  C     -10.306714     -3.313873      3.851139
  N      -9.992335     -3.697980      2.629824
  C      -8.741777     -3.341513      2.201856
  C      -8.306007     -3.684594      0.899614
  C      -7.053632     -3.278289      0.489816
  C      -6.243546     -2.534908      1.377325
  N      -6.609728     -2.205819      2.610034
  C      -7.840660     -2.603862      3.017837
  H      -2.887564      3.815540      2.142404
  H      -4.269207      2.717100      2.139251
  H      -4.212940      5.597616      3.220264
  H      -5.025453      5.006995      1.769379
  H      -6.626727      5.368939      3.660960
  H      -5.720390      4.206436      4.666693
  H      -9.997192      3.879260      5.872549
  H     -11.531421      0.295240      3.338831
  H     -10.526833     -0.931217      1.372644
  H      -8.255597     -0.281276      0.569663
  H      -1.949865     -1.966392      4.491543
  H      -3.514521     -1.571606      3.779348
  H      -0.793742     -0.360444      3.010374
  H      -2.325935      0.424793      2.615267
  H      -3.073674     -1.822630      1.557399
  H      -1.347551     -2.291228      1.602822
  H      -5.740131      1.108486      0.321112
  H      -3.887194      2.872041     -3.547716
  H      -1.612698      2.593664     -4.617049
  H       0.072342      1.120100     -3.511394
  H      -7.044472      0.845097      5.205588
  H      -7.514756      1.763567      6.639934
  H      -5.972689     -0.844742      6.993630
  H      -7.169026     -0.123850      8.086749
  H      -8.968467     -0.643691      6.309677
  H      -8.192189     -2.086149      7.014370
  H     -11.302485     -3.584517      4.214759
  H      -8.976958     -4.254183      0.255412
  H      -6.681066     -3.515719     -0.507341
  H      -5.261344     -2.179200      1.052060
  N      -5.204786      0.435084      3.220418
  H      -4.607607      0.275265      2.386345
  H      -5.978693      1.020531      2.868519
  H      -5.641146     -0.490382      3.398356
99
Coordinates from ORCA-job orca E -6478.847271280788
  N      -3.366975      2.976920      3.997377
  Mo     -4.069831      1.362186      4.892925
  N      -5.461969      1.615082      6.271994
  C      -5.048880      2.082304      7.593502
  C      -3.761141      2.879176      7.453441
  N      -2.836018      2.173612      6.521340
  C      -1.855444      3.105162      5.895545
  C      -2.540163      3.889620      4.787243
  C      -2.170935      1.000696      7.157941
  C      -1.716948      0.025527      6.081240
  N      -2.800923     -0.138846      5.115588
  H      -1.768558      4.361176      4.151522
  H      -3.142891      4.717214      5.209393
  H      -1.055242      2.489747      5.464510
  H      -1.411707      3.765171      6.659759
  H      -1.466124     -0.939454      6.557848
  H      -0.788502      0.382364      5.593283
  H      -2.923035      0.512631      7.792204
  H      -1.336065      1.330991      7.798062
  H      -5.826877      2.730489      8.037712
  H      -4.912453      1.236340      8.295157
  H      -3.984927      3.853761      6.999568
  H      -3.270606      3.052724      8.425759
  C      -3.774775      3.515568      2.703838
  C      -4.719018      4.728101      2.781016
  C      -5.952535      4.496249      3.627097
  O      -6.682022      3.383945      3.033551
  C      -7.864827      3.066223      3.564699
  N      -8.365852      3.744157      4.578418
  C      -9.575995      3.336833      5.050701
  N     -10.326837      2.345547      4.614585
  C      -9.821330      1.643953      3.552610
  C     -10.550524      0.572773      2.981717
  C     -10.004234     -0.105215      1.912891
  C      -8.721606      0.259505      1.442820
  N      -8.002175      1.250655      1.954822
  C      -8.557143      1.949201      2.977444
  C      -2.563320     -1.142092      4.079858
  C      -1.872034     -0.563024      2.832086
  C      -2.056815     -1.455467      1.614449
  O      -1.755081     -0.745212      0.384207
  C      -2.691055      0.055739     -0.124716
  N      -3.869526      0.214177      0.462190
  C      -4.770358      1.035125     -0.153927
  N      -4.613200      1.709545     -1.269934
  C      -3.394146      1.565892     -1.882418
  C      -3.117261      2.251171     -3.088500
  C      -1.881680      2.082333     -3.675210
  C      -0.932075      1.234304     -3.057255
  N      -1.151879      0.574011     -1.928478
  C      -2.366127      0.738014     -1.351068
  C      -6.797132      1.037423      6.232737
  C      -6.940454     -0.289970      7.002039
  C      -8.015326     -1.170671      6.401867
  O      -7.521712     -1.551952      5.082571
  C      -8.323936     -2.274929      4.302215
  N      -9.521330     -2.645713      4.711471
  C     -10.273798     -3.369525      3.838667
  N      -9.954778     -3.752412      2.618229
  C      -8.713346     -3.371406      2.185180
  C      -8.274454     -3.710479      0.882978
  C      -7.032410     -3.279057      0.467678
  C      -6.235386     -2.515222      1.349857
  N      -6.604452     -2.189548      2.582646
  C      -7.825429     -2.611889      2.995660
  H      -2.874783      3.810278      2.130653
  H      -4.261499      2.717107      2.128183
  H      -4.193370      5.599606      3.202633
  H      -5.013896      5.005724      1.756873
  H      -6.607332      5.377334      3.653316
  H      -5.697703      4.219159      4.661432
  H      -9.960923      3.912818      5.897520
  H     -11.524724      0.316275      3.400514
  H     -10.536871     -0.929857      1.437978
  H      -8.267111     -0.295799      0.617261
  H      -1.970770     -1.973905      4.500175
  H      -3.531623     -1.575749      3.781635
  H      -0.803707     -0.378621      3.017018
  H      -2.330897      0.414356      2.617773
  H      -3.088890     -1.831195      1.563425
  H      -1.364417     -2.306024      1.606983
  H      -5.733153      1.139230      0.359692
  H      -3.888538      2.891282     -3.519112
  H      -1.625410      2.590024     -4.606086
  H       0.051193      1.095620     -3.515980
  H      -7.055451      0.855679      5.180619
  H      -7.531020      1.771834      6.614650
  H      -5.979961     -0.830086      6.969920
  H      -7.181794     -0.115768      8.060909
  H      -8.975473     -0.646374      6.280592
  H      -8.191623     -2.083527      6.987168
  H     -11.261923     -3.660814      4.206564
  H      -8.934757     -4.297631      0.242971
  H      -6.658223     -3.512450     -0.529725
  H      -5.262267     -2.139723      1.020104
  N      -5.206131      0.439442      3.204199
  H      -4.603253      0.272243      2.375704
  H      -5.975968      1.025310      2.842851
  H      -5.647274     -0.483909      3.384077
99
Coordinates from ORCA-job orca E -6478.847218098588
  N      -3.391638      2.974832      3.982615
  Mo     -4.097792      1.361452      4.879083
  N      -5.480346      1.615244      6.269000
  C      -5.057446      2.078816      7.588618
  C      -3.768188      2.872090      7.443117
  N      -2.851859      2.163781      6.504337
  C      -1.868537      3.089724      5.872883
  C      -2.550587      3.880264      4.767661
  C      -2.190319      0.986802      7.136784
  C      -1.747560      0.010757      6.057132
  N      -2.834566     -0.145792      5.093014
  H      -1.777670      4.341886      4.126321
  H      -3.141968      4.715285      5.190947
  H      -1.075941      2.468043      5.435013
  H      -1.413751      3.745481      6.634185
  H      -1.502578     -0.957007      6.531305
  H      -0.817598      0.361505      5.565882
  H      -2.941646      0.502910      7.776051
  H      -1.349087      1.311352      7.772297
  H      -5.830874      2.730808      8.035572
  H      -4.923012      1.231127      8.288259
  H      -3.992092      3.849574      6.994145
  H      -3.271501      3.041241      8.413232
  C      -3.807717      3.523596      2.695210
  C      -4.739087      4.744894      2.779107
  C      -5.967020      4.529950      3.636464
  O      -6.703899      3.415416      3.056429
  C      -7.886562      3.104251      3.590955
  N      -8.388416      3.794259      4.596431
  C      -9.597530      3.388383      5.073504
  N     -10.345127      2.389508      4.648898
  C      -9.836027      1.674530      3.596674
  C     -10.557669      0.590085      3.040986
  C     -10.004638     -0.102332      1.984465
  C      -8.725392      0.265951      1.508710
  N      -8.014868      1.269576      2.004103
  C      -8.573368      1.978242      3.017937
  C      -2.601532     -1.151136      4.057290
  C      -1.889221     -0.578212      2.819161
  C      -2.065343     -1.465775      1.596253
  O      -1.736306     -0.756199      0.373184
  C      -2.656793      0.057717     -0.142587
  N      -3.838209      0.228985      0.435196
  C      -4.727321      1.057303     -0.188839
  N      -4.554440      1.728643     -1.304263
  C      -3.331890      1.573179     -1.906786
  C      -3.039355      2.254245     -3.111442
  C      -1.800726      2.072496     -3.688862
  C      -0.864133      1.216419     -3.062472
  N      -1.098847      0.559779     -1.934907
  C      -2.315454      0.736280     -1.366491
  C      -6.815291      1.034797      6.242534
  C      -6.937253     -0.298970      7.007041
  C      -8.007545     -1.188414      6.412707
  O      -7.518248     -1.555368      5.088413
  C      -8.310153     -2.292975      4.312599
  N      -9.496232     -2.691749      4.729988
  C     -10.237624     -3.431656      3.861062
  N      -9.917522     -3.806435      2.639172
  C      -8.687395     -3.398087      2.198060
  C      -8.250535     -3.725769      0.893091
  C      -7.020626     -3.266398      0.469837
  C      -6.235529     -2.485274      1.347425
  N      -6.603927     -2.167619      2.583028
  C      -7.812301     -2.617399      3.002696
  H      -2.909086      3.811824      2.117202
  H      -4.305784      2.732304      2.120293
  H      -4.200001      5.611973      3.191656
  H      -5.041109      5.021086      1.757041
  H      -6.614434      5.416663      3.660941
  H      -5.708675      4.260592      4.672265
  H      -9.986164      3.974634      5.912061
  H     -11.529885      0.332617      3.462799
  H     -10.528697     -0.941587      1.524706
  H      -8.265467     -0.299212      0.693251
  H      -2.021721     -1.991245      4.480161
  H      -3.572404     -1.573178      3.749661
  H      -0.820934     -0.407570      3.017603
  H      -2.331649      0.405250      2.597578
  H      -3.100817     -1.830441      1.528088
  H      -1.381947     -2.323714      1.595264
  H      -5.693594      1.172157      0.317401
  H      -3.801455      2.900637     -3.548889
  H      -1.532284      2.576167     -4.618199
  H       0.121571      1.067257     -3.513257
  H      -7.087875      0.859062      5.192853
  H      -7.547711      1.763434      6.639506
  H      -5.972030     -0.828535      6.961703
  H      -7.169418     -0.133633      8.069847
  H      -8.974187     -0.675426      6.300574
  H      -8.168633     -2.105300      6.996731
  H     -11.217652     -3.745273      4.234865
  H      -8.902165     -4.325130      0.256203
  H      -6.648457     -3.489705     -0.530752
  H      -5.272489     -2.089607      1.011738
  N      -5.249478      0.452746      3.190562
  H      -4.653419      0.291726      2.356527
  H      -6.020528      1.043551      2.842611
  H      -5.690926     -0.469879      3.366677
99
Coordinates from ORCA-job orca E -6478.847323069434
  N      -3.382120      2.974357      3.985700
  Mo     -4.089092      1.362576      4.883745
  N      -5.479426      1.615466      6.265708
  C      -5.064772      2.086716      7.585222
  C      -3.777159      2.883020      7.441871
  N      -2.853361      2.173899      6.511232
  C      -1.869847      3.101478      5.883590
  C      -2.549763      3.885528      4.772069
  C      -2.191416      1.000645      7.150070
  C      -1.739817      0.022377      6.075435
  N      -2.822311     -0.139935      5.107563
  H      -1.775139      4.349090      4.134126
  H      -3.147107      4.719077      5.189993
  H      -1.071244      2.482398      5.454206
  H      -1.424014      3.761842      6.646244
  H      -1.493653     -0.942857      6.554006
  H      -0.809057      0.374525      5.587861
  H      -2.944359      0.515366      7.785793
  H      -1.355339      1.329671      7.789571
  H      -5.842389      2.737100      8.027076
  H      -4.929198      1.242996      8.289700
  H      -4.001296      3.856743      6.985749
  H      -3.285982      3.059317      8.413430
  C      -3.787442      3.511265      2.690340
  C      -4.720769      4.732330      2.760989
  C      -5.951044      4.519682      3.616501
  O      -6.688538      3.402516      3.042484
  C      -7.869110      3.096655      3.584567
  N      -8.361002      3.790009      4.592450
  C      -9.571354      3.395427      5.075098
  N     -10.330068      2.403531      4.654425
  C      -9.832677      1.684473      3.600064
  C     -10.567683      0.606736      3.049316
  C     -10.027384     -0.091450      1.990376
  C      -8.746835      0.263231      1.507652
  N      -8.022895      1.260592      1.999642
  C      -8.569742      1.975979      3.015079
  C      -2.582689     -1.144847      4.073370
  C      -1.881614     -0.568176      2.830268
  C      -2.056034     -1.461608      1.611595
  O      -1.741267     -0.752548      0.384055
  C      -2.671833      0.049705     -0.132160
  N      -3.855850      0.206487      0.444121
  C      -4.751669      1.027553     -0.178999
  N      -4.584449      1.704549     -1.291863
  C      -3.359754      1.562627     -1.893576
  C      -3.072127      2.250499     -3.095609
  C      -1.831143      2.082926     -3.671622
  C      -0.887065      1.233824     -3.046820
  N      -1.116905      0.571284     -1.921492
  C      -2.336202      0.733981     -1.354533
  C      -6.809277      1.024330      6.234677
  C      -6.928174     -0.311030      6.995386
  C      -7.996682     -1.201745      6.398936
  O      -7.509247     -1.568000      5.073251
  C      -8.307431     -2.297655      4.295295
  N      -9.495897     -2.688383      4.712342
  C     -10.244881     -3.418229      3.841572
  N      -9.930846     -3.788663      2.616261
  C      -8.697731     -3.389191      2.175774
  C      -8.264518     -3.715267      0.868583
  C      -7.029438     -3.268761      0.447724
  C      -6.234452     -2.502184      1.329365
  N      -6.599267     -2.186330      2.566210
  C      -7.813334     -2.623019      2.984116
  H      -2.885229      3.795122      2.115348
  H      -4.281994      2.714770      2.119108
  H      -4.185268      5.603672      3.169821
  H      -5.019696      5.000929      1.735753
  H      -6.600516      5.405000      3.634114
  H      -5.692891      4.256631      4.653748
  H      -9.949461      3.984172      5.916430
  H     -11.540480      0.359455      3.476558
  H     -10.563138     -0.924354      1.533128
  H      -8.297351     -0.307104      0.689812
  H      -1.994108     -1.978064      4.496831
  H      -3.550484     -1.576436      3.770099
  H      -0.814580     -0.384661      3.023508
  H      -2.337011      0.409514      2.610074
  H      -3.088170     -1.836209      1.550847
  H      -1.364525     -2.312922      1.610853
  H      -5.719246      1.130846      0.326272
  H      -3.839669      2.891187     -3.531948
  H      -1.566427      2.592416     -4.599047
  H       0.100439      1.096027     -3.496877
  H      -7.076357      0.848254      5.183751
  H      -7.547416      1.747370      6.630306
  H      -5.960956     -0.837674      6.949390
  H      -7.161504     -0.148388      8.058033
  H      -8.964419     -0.689512      6.289008
  H      -8.156023     -2.120182      6.980598
  H     -11.225395     -3.726885      4.216250
  H      -8.922948     -4.304810      0.228945
  H      -6.659725     -3.491972     -0.553745
  H      -5.266553     -2.116508      0.995961
  N      -5.229363      0.441555      3.196374
  H      -4.630681      0.287974      2.362523
  H      -6.011880      1.017955      2.846019
  H      -5.655929     -0.488529      3.373677
99
Coordinates from ORCA-job orca E -6478.847332951419
  N      -3.387478      2.960953      3.965173
  Mo     -4.102083      1.355435      4.868574
  N      -5.498288      1.614364      6.244027
  C      -5.088893      2.097249      7.560987
  C      -3.800374      2.891780      7.416344
  N      -2.872637      2.173985      6.496576
  C      -1.882947      3.094768      5.868834
  C      -2.554421      3.873792      4.748362
  C      -2.217553      1.002992      7.146227
  C      -1.761469      0.017633      6.079732
  N      -2.838166     -0.147111      5.105774
  H      -1.774635      4.329106      4.110601
  H      -3.149536      4.713331      5.157516
  H      -1.083297      2.470866      5.448478
  H      -1.439988      3.758801      6.630029
  H      -1.520710     -0.945571      6.565126
  H      -0.826708      0.364786      5.596363
  H      -2.975187      0.522638      7.780003
  H      -1.384715      1.333740      7.789026
  H      -5.868259      2.751232      7.994458
  H      -4.955980      1.259789      8.273584
  H      -4.021724      3.861278      6.950010
  H      -3.313801      3.076889      8.388613
  C      -3.783159      3.487804      2.662800
  C      -4.703686      4.719449      2.716859
  C      -5.931931      4.532078      3.580887
  O      -6.679290      3.408605      3.032842
  C      -7.856458      3.119097      3.590903
  N      -8.334784      3.831975      4.591667
  C      -9.543497      3.453925      5.091427
  N     -10.312774      2.460367      4.693954
  C      -9.829052      1.719790      3.648229
  C     -10.575173      0.637030      3.123203
  C     -10.048245     -0.083785      2.072502
  C      -8.769688      0.253393      1.573014
  N      -8.035424      1.255284      2.040752
  C      -8.569438      1.992920      3.047335
  C      -2.589674     -1.149837      4.071887
  C      -1.887954     -0.566632      2.832235
  C      -2.057252     -1.455605      1.609819
  O      -1.737620     -0.740618      0.386803
  C      -2.663527      0.067504     -0.128984
  N      -3.850724      0.223739      0.440746
  C      -4.739454      1.052536     -0.182198
  N      -4.563055      1.738354     -1.288081
  C      -3.334751      1.597541     -1.882432
  C      -3.036581      2.295016     -3.076263
  C      -1.792285      2.128255     -3.644995
  C      -0.855384      1.270257     -3.021238
  N      -1.095146      0.598679     -1.903335
  C      -2.317766      0.760672     -1.343477
  C      -6.821479      1.007834      6.217932
  C      -6.923689     -0.326427      6.982891
  C      -7.985986     -1.229338      6.394149
  O      -7.501260     -1.596669      5.067914
  C      -8.299748     -2.332295      4.295828
  N      -9.486193     -2.723397      4.718176
  C     -10.239278     -3.453053      3.850675
  N      -9.932399     -3.819488      2.622235
  C      -8.701429     -3.419275      2.176202
  C      -8.274763     -3.742442      0.866088
  C      -7.040705     -3.297391      0.440639
  C      -6.239161     -2.536483      1.321104
  N      -6.597819     -2.223425      2.560382
  C      -7.811640     -2.657292      2.982366
  H      -2.876541      3.754833      2.086600
  H      -4.285679      2.690349      2.100021
  H      -4.158963      5.592525      3.109289
  H      -5.003843      4.973554      1.688395
  H      -6.575814      5.421648      3.583392
  H      -5.670905      4.288459      4.621859
  H      -9.910093      4.059428      5.925616
  H     -11.545996      0.404276      3.562596
  H     -10.593240     -0.920540      1.633919
  H      -8.331017     -0.334421      0.761614
  H      -1.998750     -1.980803      4.496289
  H      -3.554388     -1.585172      3.764398
  H      -0.822154     -0.379306      3.028651
  H      -2.347044      0.410039      2.615319
  H      -3.088892     -1.830403      1.543722
  H      -1.365147     -2.306438      1.608546
  H      -5.710354      1.153351      0.316125
  H      -3.798928      2.942299     -3.512292
  H      -1.519451      2.645098     -4.566033
  H       0.134690      1.133044     -3.465687
  H      -7.089537      0.825647      5.168199
  H      -7.566275      1.723757      6.614000
  H      -5.950946     -0.843006      6.933935
  H      -7.154127     -0.163367      8.046067
  H      -8.958789     -0.725969      6.286133
  H      -8.134906     -2.146873      6.979879
  H     -11.217636     -3.762984      4.230153
  H      -8.936782     -4.329871      0.228657
  H      -6.675982     -3.518654     -0.563119
  H      -5.271169     -2.153017      0.984817
  N      -5.235330      0.423933      3.183249
  H      -4.629794      0.254997      2.357564
  H      -6.013807      0.997115      2.817790
  H      -5.667373     -0.501765      3.369165
99
Coordinates from ORCA-job orca E -6478.847391212391
  N      -3.394672      2.961100      3.955663
  Mo     -4.117450      1.358059      4.857353
  N      -5.520336      1.616430      6.226734
  C      -5.117199      2.105627      7.543296
  C      -3.828169      2.899860      7.401593
  N      -2.895570      2.177950      6.490117
  C      -1.899899      3.095129      5.866777
  C      -2.562258      3.873030      4.740143
  C      -2.246614      1.007340      7.146256
  C      -1.786083      0.018676      6.084639
  N      -2.856962     -0.145662      5.104207
  H      -1.777139      4.323121      4.105201
  H      -3.155947      4.716394      5.143406
  H      -1.098614      2.468709      5.453450
  H      -1.460784      3.760146      6.629344
  H      -1.550784     -0.943966      6.573780
  H      -0.847468      0.362277      5.606331
  H      -3.008551      0.529503      7.776724
  H      -1.416948      1.337951      7.793165
  H      -5.898996      2.760845      7.970495
  H      -4.986972      1.271551      8.260459
  H      -4.047090      3.867098      6.929414
  H      -3.346890      3.089762      8.375564
  C      -3.782510      3.484631      2.649710
  C      -4.691199      4.725273      2.694011
  C      -5.916427      4.557830      3.566175
  O      -6.671383      3.429153      3.040133
  C      -7.844367      3.152352      3.612459
  N      -8.310834      3.881214      4.607320
  C      -9.517241      3.516619      5.122182
  N     -10.294821      2.521647      4.744593
  C      -9.822458      1.763029      3.706573
  C     -10.576607      0.674728      3.205164
  C     -10.060111     -0.066203      2.163078
  C      -8.784553      0.258165      1.647984
  N      -8.043205      1.265318      2.093195
  C      -8.566457      2.021271      3.091822
  C      -2.603454     -1.150681      4.073523
  C      -1.897708     -0.569220      2.835348
  C      -2.057568     -1.462222      1.614602
  O      -1.734004     -0.748693      0.391697
  C      -2.660685      0.053429     -0.131786
  N      -3.854974      0.199184      0.425942
  C      -4.743314      1.022174     -0.204806
  N      -4.560733      1.712249     -1.306976
  C      -3.325183      1.582277     -1.888864
  C      -3.019761      2.285008     -3.077764
  C      -1.768473      2.128779     -3.634016
  C      -0.831877      1.275903     -3.002870
  N      -1.078293      0.599756     -1.889148
  C      -2.307779      0.751496     -1.341469
  C      -6.835176      0.991600      6.202784
  C      -6.915324     -0.345977      6.964691
  C      -7.967586     -1.262589      6.379263
  O      -7.484844     -1.620694      5.049862
  C      -8.278262     -2.364183      4.279975
  N      -9.457243     -2.771741      4.707750
  C     -10.208128     -3.503838      3.840339
  N      -9.906861     -3.855448      2.606261
  C      -8.683573     -3.438421      2.154735
  C      -8.263576     -3.745081      0.838569
  C      -7.036703     -3.284979      0.408566
  C      -6.235282     -2.525783      1.290681
  N      -6.588059     -2.227290      2.535175
  C      -7.795193     -2.675467      2.961419
  H      -2.872401      3.738638      2.073047
  H      -4.292906      2.688861      2.091848
  H      -4.137582      5.598298      3.074032
  H      -4.993691      4.969761      1.663823
  H      -6.556098      5.450398      3.557330
  H      -5.651796      4.330073      4.609820
  H      -9.874097      4.135956      5.950388
  H     -11.545091      0.453178      3.655555
  H     -10.611086     -0.908585      1.742694
  H      -8.354343     -0.344171      0.842865
  H      -2.013273     -1.979849      4.502328
  H      -3.566336     -1.588017      3.763202
  H      -0.833643     -0.377063      3.036493
  H      -2.359748      0.405065      2.613971
  H      -3.087386     -1.841018      1.543928
  H      -1.362233     -2.310352      1.619481
  H      -5.720642      1.113106      0.282676
  H      -3.782231      2.927783     -3.520123
  H      -1.489923      2.649931     -4.550918
  H       0.163644      1.146927     -3.437534
  H      -7.103896      0.808233      5.153457
  H      -7.588698      1.695707      6.603331
  H      -5.935278     -0.848012      6.908956
  H      -7.142558     -0.189450      8.029452
  H      -8.947763     -0.772532      6.276841
  H      -8.101153     -2.183114      6.963947
  H     -11.179800     -3.828821      4.224678
  H      -8.924850     -4.332771      0.200516
  H      -6.677310     -3.493469     -0.599787
  H      -5.272748     -2.131339      0.951578
  N      -5.243641      0.425474      3.168401
  H      -4.635809      0.263938      2.342974
  H      -6.029510      0.990134      2.803765
  H      -5.666073     -0.505262      3.351683
99
Coordinates from ORCA-job orca E -6478.847419861574
  N      -3.412801      2.966978      3.934660
  Mo     -4.135300      1.366078      4.840332
  N      -5.536061      1.620258      6.212985
  C      -5.134633      2.120413      7.525702
  C      -3.848315      2.917741      7.377994
  N      -2.914185      2.192124      6.470812
  C      -1.917806      3.106692      5.844949
  C      -2.577927      3.880382      4.714431
  C      -2.264875      1.025025      7.132668
  C      -1.806343      0.030245      6.076093
  N      -2.876786     -0.137554      5.095415
  H      -1.791387      4.324717      4.077303
  H      -3.168460      4.727672      5.113635
  H      -1.115893      2.478858      5.435194
  H      -1.479785      3.774977      6.605236
  H      -1.573272     -0.930453      6.570003
  H      -0.867138      0.369262      5.595876
  H      -3.025352      0.550742      7.767509
  H      -1.433868      1.358921      7.776144
  H      -5.918863      2.776085      7.947745
  H      -5.001719      1.292214      8.249216
  H      -4.070607      3.881348      6.899720
  H      -3.367268      3.115738      8.350402
  C      -3.808379      3.489335      2.630678
  C      -4.713780      4.731765      2.682930
  C      -5.930543      4.569367      3.568627
  O      -6.690583      3.435283      3.061944
  C      -7.857009      3.167687      3.651910
  N      -8.305187      3.907661      4.647355
  C      -9.509401      3.559116      5.178467
  N     -10.301267      2.571112      4.814907
  C      -9.845801      1.798809      3.779819
  C     -10.613894      0.710832      3.300972
  C     -10.113099     -0.050690      2.266345
  C      -8.842479      0.259893      1.730460
  N      -8.089455      1.267997      2.152969
  C      -8.593977      2.038863      3.149596
  C      -2.623175     -1.153426      4.074724
  C      -1.900637     -0.586138      2.840023
  C      -2.043365     -1.489343      1.624721
  O      -1.705044     -0.781877      0.402478
  C      -2.627962      0.017142     -0.130927
  N      -3.829726      0.153769      0.413285
  C      -4.716052      0.970887     -0.226783
  N      -4.524218      1.666002     -1.324277
  C      -3.279960      1.547435     -1.890816
  C      -2.963759      2.257187     -3.072704
  C      -1.704223      2.111575     -3.613562
  C      -0.770385      1.262259     -2.974082
  N      -1.026790      0.579754     -1.866564
  C      -2.264171      0.721171     -1.333989
  C      -6.837178      0.967266      6.197406
  C      -6.879273     -0.378572      6.947837
  C      -7.921613     -1.310592      6.369309
  O      -7.450214     -1.649039      5.030518
  C      -8.249272     -2.381696      4.256057
  N      -9.422781     -2.798708      4.688864
  C     -10.181943     -3.515184      3.816245
  N      -9.893483     -3.844730      2.573053
  C      -8.673574     -3.422150      2.117461
  C      -8.266286     -3.705666      0.791919
  C      -7.041031     -3.242773      0.360477
  C      -6.229838     -2.501359      1.249264
  N      -6.572138     -2.221493      2.501195
  C      -7.776667     -2.674157      2.929412
  H      -2.902525      3.739718      2.045737
  H      -4.326715      2.694833      2.078584
  H      -4.153527      5.604141      3.055015
  H      -5.026922      4.974671      1.655307
  H      -6.571390      5.461070      3.557518
  H      -5.656470      4.352883      4.612514
  H      -9.851372      4.188349      6.005874
  H     -11.579350      0.502289      3.764444
  H     -10.672497     -0.897998      1.867219
  H      -8.425348     -0.354252      0.927528
  H      -2.042571     -1.983114      4.515389
  H      -3.586156     -1.586893      3.759179
  H      -0.839088     -0.392905      3.053075
  H      -2.358768      0.386587      2.603899
  H      -3.071682     -1.870110      1.542746
  H      -1.346609     -2.336035      1.644632
  H      -5.701253      1.051816      0.247925
  H      -3.724540      2.896593     -3.522329
  H      -1.417068      2.638299     -4.524527
  H       0.231461      1.141533     -3.396473
  H      -7.112197      0.788343      5.149228
  H      -7.602690      1.649639      6.612676
  H      -5.890468     -0.860318      6.871630
  H      -7.093002     -0.236463      8.017354
  H      -8.912104     -0.838718      6.284653
  H      -8.030154     -2.238301      6.947950
  H     -11.149144     -3.846325      4.205190
  H      -8.936102     -4.277063      0.147182
  H      -6.691178     -3.433902     -0.654562
  H      -5.268289     -2.106081      0.909583
  N      -5.263457      0.438711      3.148726
  H      -4.662672      0.304083      2.313593
  H      -6.070543      0.989776      2.805585
  H      -5.660482     -0.504751      3.323098
99
Coordinates from ORCA-job orca E -6478.847468558147
  N      -3.420160      2.959953      3.921683
  Mo     -4.151964      1.361873      4.825832
  N      -5.560647      1.619166      6.190341
  C      -5.165520      2.126227      7.502391
  C      -3.877017      2.920752      7.358275
  N      -2.938405      2.188700      6.461062
  C      -1.934253      3.097369      5.839209
  C      -2.583961      3.871052      4.702558
  C      -2.298028      1.021195      7.130750
  C      -1.834626      0.022589      6.079705
  N      -2.898596     -0.144057      5.091777
  H      -1.791619      4.308937      4.068021
  H      -3.171748      4.723016      5.095987
  H      -1.132367      2.464956      5.436206
  H      -1.498185      3.765690      6.600636
  H      -1.608221     -0.937737      6.577490
  H      -0.890690      0.357648      5.605809
  H      -3.064883      0.550971      7.760954
  H      -1.470724      1.353987      7.779628
  H      -5.951124      2.785085      7.916932
  H      -5.037467      1.301741      8.231073
  H      -4.094483      3.882067      6.873113
  H      -3.402021      3.123316      8.332781
  C      -3.806807      3.480757      2.614256
  C      -4.695972      4.735279      2.654900
  C      -5.909658      4.598036      3.548312
  O      -6.679574      3.461693      3.062646
  C      -7.840194      3.203013      3.667224
  N      -8.278395      3.954051      4.658791
  C      -9.475900      3.609639      5.207550
  N     -10.268906      2.613895      4.866165
  C      -9.823400      1.829935      3.835126
  C     -10.592478      0.732757      3.378630
  C     -10.102085     -0.037942      2.345209
  C      -8.839510      0.271052      1.790502
  N      -8.085099      1.286285      2.193062
  C      -8.580569      2.067003      3.186654
  C      -2.639456     -1.157678      4.070451
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  C      -2.059427     -1.484538      1.619133
  O      -1.714621     -0.774452      0.399948
  C      -2.631741      0.027304     -0.140190
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  C      -4.717381      0.983646     -0.259663
  N      -4.511813      1.682037     -1.352395
  C      -3.260916      1.563883     -1.903554
  C      -2.929418      2.277218     -3.079026
  C      -1.663505      2.131910     -3.604614
  C      -0.738560      1.279292     -2.956416
  N      -1.009372      0.593445     -1.854414
  C      -2.253038      0.734619     -1.336702
  C      -6.856490      0.955151      6.177073
  C      -6.887279     -0.385671      6.937382
  C      -7.921308     -1.331087      6.365727
  O      -7.448108     -1.672334      5.028523
  C      -8.239198     -2.420036      4.260333
  N      -9.404810     -2.853731      4.698998
  C     -10.158102     -3.581121      3.829781
  N      -9.872187     -3.903409      2.584174
  C      -8.661552     -3.461510      2.122140
  C      -8.258804     -3.734667      0.793229
  C      -7.043875     -3.251354      0.354697
  C      -6.237113     -2.502021      1.240707
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  H      -2.896631      3.714927      2.029309
  H      -4.335132      2.689870      2.066654
  H      -4.124278      5.605610      3.013745
  H      -5.010362      4.968978      1.625701
  H      -6.543217      5.494759      3.525930
  H      -5.632708      4.395702      4.594046
  H      -9.809519      4.247835      6.031278
  H     -11.551294      0.526226      3.856224
  H     -10.663439     -0.890672      1.960402
  H      -8.430579     -0.349218      0.988043
  H      -2.057579     -1.986613      4.510994
  H      -3.600744     -1.592857      3.752167
  H      -0.856501     -0.391344      3.051625
  H      -2.377539      0.387419      2.605183
  H      -3.088067     -1.863365      1.532901
  H      -1.364145     -2.332443      1.638715
  H      -5.708119      1.063765      0.202240
  H      -3.683952      2.918991     -3.536014
  H      -1.364618      2.661429     -4.510181
  H       0.268361      1.158810     -3.366665
  H      -7.129115      0.765847      5.129993
  H      -7.628202      1.634185      6.586617
  H      -5.894083     -0.859108      6.864692
  H      -7.102348     -0.238376      8.005970
  H      -8.916223     -0.868891      6.278367
  H      -8.021180     -2.256015      6.950296
  H     -11.117966     -3.928654      4.223755
  H      -8.923731     -4.315280      0.152294
  H      -6.698119     -3.433757     -0.663409
  H      -5.283380     -2.091258      0.896198
  N      -5.269518      0.428889      3.131140
  H      -4.660504      0.284595      2.304003
  H      -6.071637      0.978707      2.775196
  H      -5.671098     -0.512055      3.308461
99
Coordinates from ORCA-job orca E -6478.847430182276
  N      -3.416113      2.961628      3.926278
  Mo     -4.140534      1.360406      4.830894
  N      -5.538578      1.622396      6.204062
  C      -5.133542      2.121961      7.515870
  C      -3.842466      2.911468      7.366846
  N      -2.912769      2.179847      6.459580
  C      -1.912331      3.087991      5.830937
  C      -2.571243      3.868162      4.703991
  C      -2.269666      1.008943      7.121703
  C      -1.818101      0.011512      6.064498
  N      -2.891961     -0.151539      5.086540
  H      -1.784478      4.308096      4.063920
  H      -3.154558      4.718693      5.107102
  H      -1.117061      2.454297      5.416379
  H      -1.465727      3.751598      6.590404
  H      -1.588679     -0.950589      6.557548
  H      -0.877910      0.346695      5.582889
  H      -3.032985      0.540841      7.757818
  H      -1.435510      1.338605      7.763528
  H      -5.913221      2.783391      7.937440
  H      -5.005120      1.293499      8.239745
  H      -4.059300      3.876249      6.888183
  H      -3.360076      3.106738      8.339270
  C      -3.816822      3.493884      2.627230
  C      -4.715125      4.741143      2.689351
  C      -5.932659      4.579794      3.573730
  O      -6.697989      3.454133      3.055965
  C      -7.859525      3.171387      3.649508
  N      -8.307013      3.892957      4.658656
  C      -9.497640      3.516526      5.202027
  N     -10.272980      2.513047      4.842986
  C      -9.819465      1.762546      3.790714
  C     -10.571337      0.663074      3.311516
  C     -10.076792     -0.068428      2.252110
  C      -8.824929      0.279043      1.695769
  N      -8.084675      1.294722      2.121838
  C      -8.585683      2.038630      3.140474
  C      -2.646687     -1.163719      4.060915
  C      -1.927556     -0.593028      2.825829
  C      -2.093189     -1.480795      1.601966
  O      -1.740029     -0.770419      0.385237
  C      -2.641907      0.051918     -0.150504
  N      -3.845188      0.216014      0.383036
  C      -4.707042      1.053320     -0.265621
  N      -4.490128      1.744644     -1.360690
  C      -3.243614      1.599549     -1.914269
  C      -2.900392      2.304230     -3.091588
  C      -1.638876      2.132356     -3.619645
  C      -0.729999      1.262139     -2.971932
  N      -1.012289      0.583376     -1.868501
  C      -2.251595      0.750581     -1.348307
  C      -6.847369      0.984590      6.187836
  C      -6.913366     -0.346625      6.962711
  C      -7.960559     -1.276989      6.389332
  O      -7.479658     -1.637635      5.059790
  C      -8.269101     -2.388101      4.292848
  N      -9.437015     -2.818603      4.728984
  C     -10.181343     -3.561021      3.864324
  N      -9.882736     -3.905768      2.627614
  C      -8.670946     -3.464403      2.167290
  C      -8.255081     -3.759139      0.846858
  C      -7.042313     -3.270345      0.407731
  C      -6.250206     -2.495543      1.284767
  N      -6.598569     -2.209545      2.533862
  C      -7.791438     -2.685953      2.969167
  H      -2.912602      3.742272      2.039123
  H      -4.341548      2.705475      2.072479
  H      -4.149581      5.606724      3.068324
  H      -5.026675      4.995064      1.664360
  H      -6.567858      5.475676      3.569721
  H      -5.661087      4.351625      4.615488
  H      -9.839037      4.129794      6.041374
  H     -11.522027      0.426186      3.790826
  H     -10.626628     -0.918942      1.847406
  H      -8.412327     -0.309284      0.871218
  H      -2.070243     -1.999935      4.495245
  H      -3.613981     -1.588223      3.746365
  H      -0.861511     -0.417519      3.031760
  H      -2.374084      0.388449      2.603677
  H      -3.129048     -1.840579      1.518961
  H      -1.413365     -2.341400      1.611291
  H      -5.693917      1.156502      0.199233
  H      -3.642837      2.960628     -3.547860
  H      -1.331392      2.654578     -4.526536
  H       0.273591      1.120719     -3.383696
  H      -7.115423      0.789070      5.140664
  H      -7.609182      1.683997      6.582528
  H      -5.930554     -0.843302      6.907040
  H      -7.136314     -0.182098      8.027391
  H      -8.945804     -0.797148      6.287763
  H      -8.083857     -2.194843      6.980640
  H     -11.142977     -3.905748      4.256487
  H      -8.908612     -4.359175      0.212389
  H      -6.687346     -3.467821     -0.604558
  H      -5.299020     -2.078952      0.938729
  N      -5.266566      0.435927      3.136798
  H      -4.657670      0.278901      2.312115
  H      -6.052999      1.004430      2.779420
  H      -5.687895     -0.496341      3.314182
99
Coordinates from ORCA-job orca E -6478.847520404775
  N      -3.422829      2.955570      3.910634
  Mo     -4.150235      1.358713      4.820430
  N      -5.550404      1.621140      6.191818
  C      -5.149170      2.130668      7.500828
  C      -3.859464      2.921598      7.348618
  N      -2.927010      2.185406      6.448275
  C      -1.924408      3.090621      5.818953
  C      -2.579315      3.865216      4.685651
  C      -2.286123      1.017671      7.117687
  C      -1.831308      0.015267      6.066549
  N      -2.901338     -0.151187      5.085050
  H      -1.789871      4.300578      4.045778
  H      -3.162391      4.718941      5.082236
  H      -1.127215      2.455317      5.411104
  H      -1.481190      3.758347      6.576771
  H      -1.604245     -0.944694      6.564743
  H      -0.889345      0.347469      5.586775
  H      -3.050846      0.551714      7.753561
  H      -1.454083      1.350015      7.760717
  H      -5.931170      2.793155      7.916397
  H      -5.020394      1.307894      8.231234
  H      -4.077159      3.882329      6.862410
  H      -3.379227      3.125018      8.320372
  C      -3.818910      3.478385      2.606651
  C      -4.712595      4.729315      2.658355
  C      -5.925795      4.581590      3.551210
  O      -6.696487      3.450150      3.054922
  C      -7.855616      3.183963      3.660092
  N      -8.292721      3.927103      4.658029
  C      -9.486469      3.574358      5.209774
  N     -10.275452      2.575852      4.867563
  C      -9.832066      1.801250      3.828724
  C     -10.597277      0.701551      3.371834
  C     -10.110764     -0.058590      2.329179
  C      -8.855157      0.262906      1.765570
  N      -8.103393      1.279554      2.169814
  C      -8.595223      2.050017      3.173042
  C      -2.649243     -1.165554      4.062917
  C      -1.924020     -0.596092      2.830769
  C      -2.078233     -1.487320      1.608176
  O      -1.721619     -0.776317      0.392986
  C      -2.624089      0.045003     -0.142120
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  C      -4.691078      1.041297     -0.254885
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  C      -3.225144      1.602893     -1.896702
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  C      -1.617573      2.152007     -3.594343
  C      -0.708134      1.279392     -2.950799
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  C      -6.850516      0.965796      6.180842
  C      -6.894113     -0.369653      6.949400
  C      -7.934209     -1.310043      6.379577
  O      -7.460487     -1.660784      5.044704
  C      -8.253991     -2.407232      4.277816
  N      -9.419064     -2.840170      4.718659
  C     -10.170075     -3.575436      3.853959
  N      -9.881607     -3.908879      2.611810
  C      -8.672114     -3.466573      2.146840
  C      -8.265717     -3.752459      0.821481
  C      -7.052678     -3.267463      0.379482
  C      -6.251420     -2.503952      1.258132
  N      -6.591752     -2.224272      2.510769
  C      -7.784834     -2.697383      2.949268
  H      -2.913267      3.718151      2.017009
  H      -4.347048      2.687569      2.058668
  H      -4.142518      5.597715      3.024324
  H      -5.028471      4.971879      1.631742
  H      -6.559930      5.478161      3.537675
  H      -5.648711      4.368806      4.594832
  H      -9.819530      4.206747      6.038221
  H     -11.550283      0.484916      3.856464
  H     -10.669580     -0.912540      1.943976
  H      -8.448613     -0.348973      0.955356
  H      -2.073211     -1.999256      4.502155
  H      -3.613885     -1.593164      3.744609
  H      -0.860137     -0.415094      3.042970
  H      -2.373368      0.382921      2.603552
  H      -3.112259     -1.850824      1.519583
  H      -1.395263     -2.345316      1.623340
  H      -5.679747      1.137609      0.207962
  H      -3.623580      2.974851     -3.521335
  H      -1.309078      2.681422     -4.496752
  H       0.296674      1.143455     -3.361352
  H      -7.121636      0.771314      5.134379
  H      -7.619066      1.652774      6.583613
  H      -5.905292     -0.853101      6.883495
  H      -7.111224     -0.213337      8.016358
  H      -8.925858     -0.841489      6.288492
  H      -8.041672     -2.231758      6.967914
  H     -11.129043     -3.922357      4.250236
  H      -8.926211     -4.343825      0.185731
  H      -6.704531     -3.458934     -0.636218
  H      -5.299984     -2.090409      0.910001
  N      -5.275452      0.429505      3.127958
  H      -4.669204      0.282885      2.299112
  H      -6.073821      0.987030      2.777090
  H      -5.682927     -0.509158      3.305749
99
Coordinates from ORCA-job orca E -6478.847528719654
  N      -3.432138      2.959916      3.902874
  Mo     -4.157801      1.361796      4.812264
  N      -5.557862      1.620322      6.184461
  C      -5.158617      2.134138      7.492263
  C      -3.870340      2.927074      7.338802
  N      -2.936400      2.190373      6.440413
  C      -1.933730      3.095451      5.811149
  C      -2.588277      3.869509      4.677427
  C      -2.295148      1.023990      7.111778
  C      -1.839703      0.020252      6.062227
  N      -2.909269     -0.147722      5.080442
  H      -1.798591      4.304269      4.037457
  H      -3.170837      4.723685      5.073680
  H      -1.136224      2.460175      5.403857
  H      -1.490974      3.763722      6.568754
  H      -1.612850     -0.939032      6.561806
  H      -0.897576      0.351815      5.582353
  H      -3.059613      0.558591      7.748361
  H      -1.463296      1.357690      7.754349
  H      -5.942208      2.796222      7.905499
  H      -5.028760      1.313643      8.225079
  H      -4.089695      3.886347      6.850379
  H      -3.390846      3.133544      8.310268
  C      -3.831779      3.484612      2.600787
  C      -4.724240      4.736096      2.657365
  C      -5.933042      4.589479      3.556359
  O      -6.706621      3.457638      3.065603
  C      -7.862219      3.192928      3.678159
  N      -8.292273      3.937837      4.677971
  C      -9.483294      3.587861      5.237335
  N     -10.275724      2.590265      4.900749
  C      -9.838913      1.813116      3.861049
  C     -10.607916      0.713211      3.411324
  C     -10.128067     -0.050417      2.368117
  C      -8.876026      0.269225      1.795622
  N      -8.121149      1.286352      2.192689
  C      -8.605731      2.059090      3.197576
  C      -2.657797     -1.165980      4.061775
  C      -1.928192     -0.602519      2.829516
  C      -2.081271     -1.497163      1.609408
  O      -1.716736     -0.791062      0.393800
  C      -2.613731      0.032543     -0.146615
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  C      -4.677350      1.033840     -0.271794
  N      -4.451108      1.733478     -1.359640
  C      -3.199930      1.592271     -1.904515
  C      -2.846514      2.305832     -3.073425
  C      -1.580532      2.137760     -3.592111
  C      -0.677442      1.262436     -2.943451
  N      -0.969290      0.575344     -1.847630
  C      -2.213094      0.738745     -1.336790
  C      -6.852040      0.953459      6.176239
  C      -6.881782     -0.381988      6.945499
  C      -7.916063     -1.331044      6.379617
  O      -7.444941     -1.677091      5.042689
  C      -8.239495     -2.421604      4.275198
  N      -9.401939     -2.859141      4.718373
  C     -10.156112     -3.588957      3.851938
  N      -9.873671     -3.911961      2.605721
  C      -8.667017     -3.464731      2.138144
  C      -8.268187     -3.737610      0.807793
  C      -7.058287     -3.247178      0.363256
  C      -6.252940     -2.490640      1.244221
  N      -6.586372     -2.222812      2.501276
  C      -7.776168     -2.701599      2.942445
  H      -2.928019      3.724172      2.008180
  H      -4.362734      2.695146      2.053784
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  H      -5.044977      4.979533      1.632410
  H      -6.566917      5.486256      3.544539
  H      -5.651307      4.378349      4.599163
  H      -9.811026      4.222528      6.066214
  H     -11.558206      0.498418      3.902134
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  H      -8.475239     -0.344115      0.983713
  H      -2.084896     -1.999776      4.504965
  H      -3.622847     -1.592267      3.742909
  H      -0.864314     -0.423448      3.043432
  H      -2.374785      0.376849      2.598191
  H      -3.116432     -1.856528      1.517658
  H      -1.401929     -2.357932      1.630031
  H      -5.668276      1.133653      0.185534
  H      -3.584681      2.965999     -3.530919
  H      -1.265057      2.666673     -4.492366
  H       0.329503      1.123997     -3.347913
  H      -7.123100      0.756015      5.130393
  H      -7.626299      1.633314      6.580160
  H      -5.889331     -0.857425      6.876212
  H      -7.096487     -0.227192      8.013148
  H      -8.912007     -0.871004      6.292911
  H      -8.013315     -2.253898      6.967992
  H     -11.112966     -3.939534      4.250162
  H      -8.932138     -4.322991      0.170091
  H      -6.715990     -3.428657     -0.656200
  H      -5.304288     -2.072407      0.894344
  N      -5.279802      0.434808      3.115645
  H      -4.672246      0.291583      2.287208
  H      -6.079679      0.992008      2.766759
  H      -5.685513     -0.505182      3.290781
99
Coordinates from ORCA-job orca E -6478.847531856562
  N      -3.435635      2.956597      3.895166
  Mo     -4.162236      1.360110      4.806915
  N      -5.561116      1.620703      6.179768
  C      -5.161603      2.137754      7.486110
  C      -3.872694      2.929161      7.330270
  N      -2.939601      2.189636      6.433366
  C      -1.935851      3.092307      5.802475
  C      -2.589738      3.865854      4.667896
  C      -2.300051      1.023471      7.106755
  C      -1.846001      0.017299      6.058899
  N      -2.915953     -0.150755      5.077624
  H      -1.799614      4.298378      4.026930
  H      -3.170667      4.721615      5.063170
  H      -1.139513      2.455212      5.395737
  H      -1.491697      3.760895      6.558999
  H      -1.620364     -0.941484      6.559989
  H      -0.903459      0.346892      5.578523
  H      -3.065246      0.560269      7.744020
  H      -1.467758      1.357024      7.748815
  H      -5.944529      2.801730      7.897602
  H      -5.032387      1.319197      8.221222
  H      -4.091389      3.887294      6.839374
  H      -3.392803      3.137731      8.301095
  C      -3.834786      3.480074      2.592427
  C      -4.725204      4.733164      2.647572
  C      -5.933015      4.590112      3.548383
  O      -6.708969      3.458416      3.061063
  C      -7.862264      3.194552      3.678350
  N      -8.289222      3.941663      4.677834
  C      -9.477843      3.592337      5.242532
  N     -10.270246      2.592500      4.912430
  C      -9.836629      1.812883      3.873329
  C     -10.605761      0.710220      3.430583
  C     -10.129515     -0.055637      2.387446
  C      -8.880591      0.264241      1.808248
  N      -8.125408      1.283714      2.199029
  C      -8.606741      2.058756      3.203662
  C      -2.665462     -1.169151      4.058954
  C      -1.935084     -0.606307      2.826841
  C      -2.093453     -1.497903      1.605286
  O      -1.722707     -0.792243      0.391241
  C      -2.612220      0.040313     -0.147824
  N      -3.819371      0.208264      0.375617
  C      -4.666641      1.060270     -0.272050
  N      -4.432883      1.761985     -1.356927
  C      -3.182350      1.611609     -1.900793
  C      -2.821072      2.326547     -3.066445
  C      -1.555794      2.149610     -3.583825
  C      -0.661223      1.264108     -2.937123
  N      -0.960612      0.575327     -1.844384
  C      -2.203789      0.747408     -1.334860
  C      -6.854313      0.952008      6.173545
  C      -6.882712     -0.381456      6.946135
  C      -7.915814     -1.333065      6.382244
  O      -7.444877     -1.681013      5.045703
  C      -8.239426     -2.427066      4.279729
  N      -9.400267     -2.866634      4.725071
  C     -10.154058     -3.599225      3.860620
  N      -9.872751     -3.923241      2.614369
  C      -8.667953     -3.473543      2.144343
  C      -8.270455     -3.747225      0.813674
  C      -7.062576     -3.254220      0.366522
  C      -6.257873     -2.494392      1.245169
  N      -6.589903     -2.226119      2.502498
  C      -7.777702     -2.707362      2.946407
  H      -2.930871      3.717349      1.999141
  H      -4.367085      2.690685      2.046619
  H      -4.150489      5.600577      3.008721
  H      -5.046773      4.975468      1.622649
  H      -6.565595      5.487801      3.535531
  H      -5.650144      4.380489      4.591133
  H      -9.803090      4.229181      6.070681
  H     -11.553341      0.495287      3.926524
  H     -10.691198     -0.912775      2.013506
  H      -8.482700     -0.350931      0.996292
  H      -2.093790     -2.003765      4.502153
  H      -3.631085     -1.594051      3.740033
  H      -0.870215     -0.431921      3.039649
  H      -2.378190      0.375201      2.597882
  H      -3.131073     -1.849734      1.512181
  H      -1.420298     -2.363543      1.624969
  H      -5.657187      1.167123      0.184276
  H      -3.552823      2.994853     -3.522490
  H      -1.234428      2.679266     -4.481577
  H       0.345145      1.118653     -3.340539
  H      -7.124913      0.751152      5.128223
  H      -7.629576      1.631830      6.575642
  H      -5.889814     -0.856322      6.878727
  H      -7.098178     -0.224110      8.013259
  H      -8.912572     -0.874725      6.295318
  H      -8.011228     -2.255028      6.972292
  H     -11.109360     -3.951757      4.260737
  H      -8.933728     -4.335352      0.177782
  H      -6.721429     -3.436187     -0.653260
  H      -5.311096     -2.073557      0.893169
  N      -5.284642      0.431835      3.111188
  H      -4.677932      0.291385      2.281684
  H      -6.086851      0.987242      2.765066
  H      -5.687145     -0.509645      3.286186
99
Coordinates from ORCA-job orca E -6478.847534029715
  N      -3.434324      2.957997      3.898091
  Mo     -4.158867      1.360464      4.809784
  N      -5.556483      1.620079      6.183825
  C      -5.156590      2.136274      7.490332
  C      -3.868129      2.928329      7.334118
  N      -2.935553      2.189893      6.435800
  C      -1.932994      3.093486      5.804339
  C      -2.588629      3.867373      4.671010
  C      -2.294691      1.023884      7.108131
  C      -1.840836      0.018613      6.059386
  N      -2.911735     -0.149983      5.079285
  H      -1.799458      4.301298      4.029805
  H      -3.170134      4.722201      5.067481
  H      -1.136857      2.457014      5.396211
  H      -1.488238      3.761791      6.560759
  H      -1.613726     -0.940188      6.559777
  H      -0.899118      0.349368      5.578199
  H      -3.059098      0.559846      7.745736
  H      -1.462131      1.357710      7.749698
  H      -5.939522      2.799734      7.902655
  H      -5.026724      1.317238      8.224778
  H      -4.087684      3.886739      6.844191
  H      -3.387421      3.136282      8.304666
  C      -3.834924      3.482761      2.596350
  C      -4.728269      4.733665      2.654118
  C      -5.936233      4.585872      3.553883
  O      -6.710510      3.454908      3.062115
  C      -7.864522      3.188066      3.676952
  N      -8.294243      3.932344      4.677346
  C      -9.484056      3.580985      5.238228
  N     -10.275384      2.581849      4.903444
  C      -9.839197      1.805556      3.862998
  C     -10.607633      0.704770      3.414370
  C     -10.129078     -0.057352      2.369619
  C      -8.878406      0.263947      1.794887
  N      -8.123770      1.281631      2.191271
  C      -8.607547      2.053404      3.197249
  C      -2.661234     -1.167738      4.060059
  C      -1.931968     -0.604477      2.827453
  C      -2.091715     -1.496298      1.606269
  O      -1.721882     -0.791418      0.391492
  C      -2.612592      0.039438     -0.148311
  N      -3.819906      0.206115      0.375110
  C      -4.668593      1.056256     -0.273209
  N      -4.436217      1.756810     -1.359121
  C      -3.185672      1.607484     -1.903239
  C      -2.825901      2.321341     -3.070019
  C      -1.560503      2.145677     -3.587517
  C      -0.664341      1.262463     -2.939848
  N      -0.962283      0.574715     -1.846053
  C      -2.205574      0.745577     -1.336403
  C      -6.850603      0.953270      6.176681
  C      -6.881648     -0.379951      6.949482
  C      -7.915774     -1.329954      6.384761
  O      -7.445064     -1.677963      5.048141
  C      -8.241613     -2.421025      4.281341
  N      -9.403528     -2.857888      4.726484
  C     -10.158961     -3.588705      3.862056
  N      -9.877931     -3.914220      2.616109
  C      -8.672018     -3.467369      2.146202
  C      -8.274884     -3.742577      0.815717
  C      -7.066172     -3.251872      0.368283
  C      -6.260427     -2.492660      1.246458
  N      -6.591991     -2.223132      2.503651
  C      -7.780481     -2.702314      2.947981
  H      -2.931665      3.723486      2.003475
  H      -4.365120      2.693039      2.048937
  H      -4.155596      5.601388      3.017725
  H      -5.049872      4.978009      1.629713
  H      -6.569915      5.482825      3.543896
  H      -5.653559      4.372835      4.595987
  H      -9.811430      4.215286      6.067480
  H     -11.556545      0.488451      3.907101
  H     -10.690304     -0.912817      1.991262
  H      -8.478839     -0.348698      0.981842
  H      -2.088716     -2.002039      4.502750
  H      -3.626785     -1.593235      3.741758
  H      -0.866830     -0.430209      3.038961
  H      -2.375287      0.377021      2.598842
  H      -3.129604     -1.847586      1.514214
  H      -1.419096     -2.362372      1.625805
  H      -5.659182      1.162225      0.183233
  H      -3.558839      2.987907     -3.526749
  H      -1.240225      2.674601     -4.486106
  H       0.342131      1.118049     -3.343375
  H      -7.120417      0.752424      5.131128
  H      -7.625297      1.634290      6.577829
  H      -5.889460     -0.856496      6.883373
  H      -7.098135     -0.221952      8.016316
  H      -8.911963     -0.870337      6.297979
  H      -8.012292     -2.252101      6.974347
  H     -11.115353     -3.938375      4.261960
  H      -8.939237     -4.329628      0.179987
  H      -6.725325     -3.434944     -0.651426
  H      -5.313299     -2.072992      0.894020
  N      -5.281608      0.433011      3.113479
  H      -4.674155      0.288805      2.285191
  H      -6.080278      0.992083      2.765505
  H      -5.688842     -0.506247      3.289354
99
Coordinates from ORCA-job orca E -6478.847534679798
  N      -3.434706      2.959096      3.898154
  Mo     -4.159363      1.361269      4.809294
  N      -5.557220      1.620268      6.183180
  C      -5.157796      2.136543      7.489794
  C      -3.869350      2.928713      7.334040
  N      -2.936491      2.190511      6.435815
  C      -1.933826      3.094245      5.804794
  C      -2.589275      3.868364      4.671575
  C      -2.295784      1.024386      7.108133
  C      -1.841613      0.019303      6.059357
  N      -2.912287     -0.149235      5.079016
  H      -1.800067      4.302623      4.030665
  H      -3.171051      4.722941      5.068168
  H      -1.137635      2.457888      5.396612
  H      -1.489180      3.762334      6.561471
  H      -1.614512     -0.939541      6.559673
  H      -0.899809      0.350220      5.578449
  H      -3.060455      0.560274      7.745359
  H      -1.463451      1.358106      7.750046
  H      -5.940896      2.799950      7.901877
  H      -5.028097      1.317481      8.224236
  H      -4.088803      3.887227      6.844265
  H      -3.388916      3.136485      8.304763
  C      -3.835241      3.484576      2.596695
  C      -4.728634      4.735442      2.654801
  C      -5.936600      4.587482      3.554596
  O      -6.710980      3.456709      3.062481
  C      -7.864477      3.189163      3.677890
  N      -8.293560      3.932402      4.679359
  C      -9.482420      3.579756      5.241418
  N     -10.273460      2.580318      4.906848
  C      -9.837836      1.804980      3.865432
  C     -10.605880      0.703817      3.417042
  C     -10.127917     -0.057273      2.371237
  C      -8.878204      0.265425      1.795233
  N      -8.123929      1.283445      2.191368
  C      -8.607137      2.054167      3.198419
  C      -2.662010     -1.167609      4.060312
  C      -1.932592     -0.605174      2.827399
  C      -2.092802     -1.497450      1.606627
  O      -1.722444     -0.793165      0.391656
  C      -2.612747      0.037928     -0.148470
  N      -3.820060      0.205146      0.374836
  C      -4.668525      1.055116     -0.273928
  N      -4.435884      1.755240     -1.360076
  C      -3.185289      1.605467     -1.903966
  C      -2.825291      2.318676     -3.071073
  C      -1.559914      2.142464     -3.588446
  C      -0.663993      1.259347     -2.940340
  N      -0.962153      0.572161     -1.846258
  C      -2.205430      0.743561     -1.336738
  C      -6.850949      0.952746      6.175875
  C      -6.881267     -0.380433      6.948866
  C      -7.914938     -1.331051      6.384392
  O      -7.444200     -1.678863      5.047732
  C      -8.240468     -2.422204      4.280902
  N      -9.402369     -2.859362      4.725859
  C     -10.157895     -3.589526      3.860977
  N      -9.876989     -3.914108      2.614754
  C      -8.671219     -3.466726      2.145010
  C      -8.274461     -3.740539      0.814158
  C      -7.065945     -3.249201      0.366871
  C      -6.259985     -2.490822      1.245616
  N      -6.591207     -2.222665      2.503176
  C      -7.779502     -2.702459      2.947315
  H      -2.931844      3.725743      2.004189
  H      -4.365177      2.695037      2.048752
  H      -4.155965      5.603140      3.018527
  H      -5.050346      4.979987      1.630460
  H      -6.570196      5.484476      3.544940
  H      -5.653876      4.373985      4.596612
  H      -9.809382      4.213297      6.071422
  H     -11.554136      0.486568      3.910658
  H     -10.688945     -0.912886      1.992896
  H      -8.479223     -0.346227      0.981160
  H      -2.089533     -2.001681      4.503514
  H      -3.627576     -1.593295      3.742289
  H      -0.867334     -0.431414      3.038720
  H      -2.375503      0.376438      2.598404
  H      -3.130908     -1.848070      1.514652
  H      -1.420774     -2.363974      1.626538
  H      -5.659207      1.161319      0.182321
  H      -3.558065      2.985147     -3.528172
  H      -1.239499      2.670884     -4.487270
  H       0.342455      1.114489     -3.343766
  H      -7.120565      0.751638      5.130329
  H      -7.626080      1.633300      6.576916
  H      -5.888834     -0.856448      6.882858
  H      -7.097875     -0.222399      8.015669
  H      -8.911367     -0.871989      6.297712
  H      -8.010855     -2.253221      6.974035
  H     -11.114255     -3.939558      4.260709
  H      -8.938931     -4.327015      0.178015
  H      -6.725390     -3.431275     -0.653088
  H      -5.312920     -2.070820      0.893447
  N      -5.281394      0.433948      3.112361
  H      -4.674097      0.291755      2.283635
  H      -6.081179      0.992112      2.765379
  H      -5.686971     -0.506202      3.287270
99
Coordinates from ORCA-job orca E -6478.847535141145
  N      -3.435127      2.958956      3.897248
  Mo     -4.160030      1.361375      4.808695
  N      -5.557906      1.620313      6.182530
  C      -5.158913      2.137392      7.488935
  C      -3.870460      2.929536      7.333063
  N      -2.937471      2.190984      6.435278
  C      -1.934579      3.094396      5.804184
  C      -2.589710      3.868316      4.670657
  C      -2.297101      1.024957      7.108110
  C      -1.842736      0.019544      6.059739
  N      -2.913191     -0.149222      5.079210
  H      -1.800338      4.302322      4.029785
  H      -3.171482      4.723057      5.066882
  H      -1.138454      2.457801      5.396248
  H      -1.489887      3.762579      6.560752
  H      -1.615751     -0.939160      6.560377
  H      -0.900806      0.350301      5.578959
  H      -3.062062      0.561094      7.745167
  H      -1.464953      1.358732      7.750234
  H      -5.942143      2.801040      7.900377
  H      -5.029430      1.318766      8.223901
  H      -4.089846      3.887858      6.842875
  H      -3.390180      3.137706      8.303776
  C      -3.835264      3.484229      2.595597
  C      -4.728622      4.735145      2.653004
  C      -5.936442      4.587880      3.553126
  O      -6.711167      3.456968      3.061803
  C      -7.864164      3.189686      3.678181
  N      -8.292466      3.933436      4.679621
  C      -9.480902      3.581155      5.242744
  N     -10.272272      2.581588      4.909280
  C      -9.837464      1.805683      3.867931
  C     -10.605815      0.704205      3.420800
  C     -10.128617     -0.057532      2.375099
  C      -8.879392      0.264884      1.797919
  N      -8.124848      1.283180      2.192835
  C      -8.607276      2.054490      3.199823
  C      -2.662626     -1.167884      4.060836
  C      -1.933185     -0.605694      2.827799
  C      -2.093864     -1.497954      1.607076
  O      -1.722807     -0.793921      0.392156
  C      -2.612588      0.037582     -0.148207
  N      -3.820027      0.205154      0.374705
  C      -4.667975      1.055478     -0.274209
  N      -4.434671      1.755858     -1.360055
  C      -3.183923      1.605755     -1.903511
  C      -2.823227      2.319129     -3.070306
  C      -1.557730      2.142573     -3.587269
  C      -0.662364      1.258981     -2.939053
  N      -0.961172      0.571627     -1.845252
  C      -2.204585      0.743337     -1.336153
  C      -6.851121      0.951768      6.175456
  C      -6.880119     -0.381503      6.948387
  C      -7.913260     -1.332912      6.384250
  O      -7.443057     -1.680040      5.047205
  C      -8.239450     -2.423330      4.280429
  N      -9.400814     -2.861468      4.725879
  C     -10.156540     -3.591448      3.861029
  N      -9.876360     -3.914920      2.614351
  C      -8.671153     -3.466549      2.144116
  C      -8.275237     -3.739145      0.812783
  C      -7.067233     -3.246973      0.365010
  C      -6.260937     -2.488990      1.243795
  N      -6.591396     -2.221941      2.501791
  C      -7.779208     -2.702514      2.946382
  H      -2.931626      3.725297      2.003402
  H      -4.364976      2.694550      2.047640
  H      -4.155884      5.603124      3.015962
  H      -5.050551      4.978948      1.628549
  H      -6.569863      5.484990      3.543118
  H      -5.653551      4.374861      4.595200
  H      -9.807185      4.215064      6.072745
  H     -11.553680      0.487247      3.915307
  H     -10.689899     -0.913425      1.997728
  H      -8.481053     -0.347354      0.983971
  H      -2.089929     -2.001627      4.504370
  H      -3.628050     -1.593972      3.742917
  H      -0.867823     -0.432325      3.038903
  H      -2.375828      0.376045      2.598824
  H      -3.132234     -1.847745      1.514978
  H      -1.422542     -2.365022      1.627119
  H      -5.658721      1.162031      0.181831
  H      -3.555588      2.985973     -3.527509
  H      -1.236805      2.671097     -4.485848
  H       0.344184      1.113870     -3.342140
  H      -7.120804      0.750435      5.129975
  H      -7.626719      1.631639      6.576744
  H      -5.887306     -0.856673      6.882120
  H      -7.096635     -0.223720      8.015249
  H      -8.910146     -0.874733      6.298311
  H      -8.007946     -2.255309      6.973742
  H     -11.112426     -3.942349      4.261161
  H      -8.939894     -4.325425      0.176656
  H      -6.727346     -3.428158     -0.655326
  H      -5.314236     -2.068397      0.891341
  N      -5.281590      0.433723      3.111549
  H      -4.674125      0.291738      2.282899
  H      -6.081607      0.991600      2.764534
  H      -5.686846     -0.506554      3.286496
