88
Coordinates from ORCA-job orca E -6723.454598726928
  N      -3.588059      0.278792      4.753129
  Mo     -3.720432      2.385639      4.578805
  N      -5.063042      2.576509      6.211391
  C      -4.394221      3.027715      7.411886
  C      -3.087945      2.248149      7.632554
  N      -2.288002      2.071101      6.397248
  C      -1.781221      0.695166      6.314816
  C      -2.926384     -0.247052      5.931189
  C      -1.186335      3.053077      6.347964
  C      -1.771700      4.438298      6.006949
  N      -2.863329      4.110781      5.139127
  H      -2.521514     -1.250360      5.745999
  H      -3.659981     -0.330528      6.746108
  H      -1.027235      0.652471      5.522388
  H      -1.321227      0.374391      7.258110
  H      -2.114569      4.977053      6.900907
  H      -1.027049      5.067438      5.502986
  H      -0.629298      3.076662      7.292391
  H      -0.505487      2.758647      5.543264
  H      -5.031491      2.898823      8.298187
  H      -4.196294      4.105866      7.313922
  H      -3.356776      1.264954      8.024108
  H      -2.496043      2.758829      8.399949
  C      -4.247470      4.741648     -1.120267
  C      -4.418271      3.745660     -0.022438
  O      -4.303038      4.037597      1.167936
  C      -4.762014      2.352397     -0.387552
  C      -5.396973      1.975619     -1.575153
  C      -5.780156      0.659813     -1.755243
  C      -5.547613     -0.275906     -0.754820
  F      -5.999288     -1.524897     -0.941637
  C      -4.896178      0.067565      0.427126
  C      -4.647264     -0.864271      1.573735
  O      -4.696938     -2.083030      1.509365
  N      -4.391071     -0.113902      2.680005
  C      -3.866918     -0.564400      3.791580
  C      -4.489720      1.387074      0.573618
  C      -7.733799     10.260799     -0.422197
  C      -7.267763      8.918875      0.045159
  O      -7.475516      7.894693     -0.576015
  C      -6.510487      8.869504      1.335703
  C      -6.028972      9.998576      1.999741
  C      -5.325482      9.863532      3.183841
  C      -5.083900      8.601841      3.699560
  F      -4.419772      8.506230      4.867115
  C      -5.547454      7.452231      3.060654
  C      -5.294785      6.079959      3.545009
  O      -6.086579      5.151166      3.335806
  N      -4.118623      5.926017      4.227773
  C      -3.778441      4.703033      4.476618
  C      -6.271261      7.615032      1.885599
  C     -13.789886     -0.758606      4.175085
  C     -12.752158     -0.052959      4.990086
  O     -12.952225      0.337038      6.119866
  C     -11.412684      0.163532      4.347143
  C     -11.008395     -0.472213      3.174719
  C      -9.751285     -0.221870      2.653929
  C      -8.899418      0.650169      3.307138
  F      -7.679178      0.881552      2.730773
  C      -9.260956      1.302693      4.480306
  C      -8.416818      2.249173      5.272751
  O      -8.941749      3.161021      5.908322
  N      -7.077609      2.024886      5.236961
  C      -6.357289      2.509381      6.233320
  C     -10.535695      1.041494      4.974488
  H      -5.225884      4.985774     -1.533378
  H      -3.801353      5.652580     -0.729852
  H      -3.635808      4.325788     -1.916312
  H      -5.615835      2.700836     -2.341640
  H      -6.280882      0.343546     -2.656605
  H      -3.609860     -1.629319      3.906176
  H      -3.946399      1.658019      1.463774
  H      -8.301775     10.755660      0.361160
  H      -6.872211     10.878250     -0.667358
  H      -8.349903     10.140982     -1.309209
  H      -6.196343     10.985485      1.601247
  H      -4.956673     10.725557      3.716953
  H      -4.456833      3.888712      4.005913
  H      -6.648665      6.732740      1.387928
  H     -14.738561     -0.736622      4.704319
  H     -13.490592     -1.794095      4.026464
  H     -13.893672     -0.285460      3.202412
  H     -11.658033     -1.161912      2.662258
  H      -9.413447     -0.693691      1.744290
  H      -6.892378      2.808629      7.150022
  H     -10.848562      1.544218      5.878895
  N      -2.283084      2.206650      3.017110
  N      -1.324851      2.087323      1.975979
88
Coordinates from ORCA-job orca E -6723.529415858286
  N      -3.544792      0.264925      4.804196
  Mo     -3.675276      2.364282      4.635558
  N      -5.025014      2.550214      6.257162
  C      -4.366777      3.000037      7.469462
  C      -3.067089      2.218938      7.695039
  N      -2.257198      2.045927      6.456584
  C      -1.747519      0.664318      6.370682
  C      -2.889084     -0.274212      5.983140
  C      -1.153136      3.031832      6.412080
  C      -1.737220      4.415654      6.073279
  N      -2.825144      4.094118      5.199357
  H      -2.484098     -1.277928      5.793481
  H      -3.625042     -0.362200      6.797756
  H      -0.989908      0.627569      5.579430
  H      -1.288550      0.341766      7.316386
  H      -2.085831      4.953208      6.967266
  H      -0.989984      5.046397      5.572568
  H      -0.599547      3.051414      7.360373
  H      -0.469225      2.737594      5.608351
  H      -5.011567      2.868283      8.351177
  H      -4.164691      4.079342      7.379340
  H      -3.336866      1.231287      8.080012
  H      -2.476601      2.725767      8.468774
  C      -4.426616      4.794785     -1.272999
  C      -4.540991      3.826781     -0.135692
  O      -4.401509      4.171322      1.038378
  C      -4.854335      2.406710     -0.447497
  C      -5.505310      1.979740     -1.612641
  C      -5.858041      0.646382     -1.751968
  C      -5.577398     -0.257443     -0.731195
  F      -6.000117     -1.524488     -0.880892
  C      -4.909751      0.129777      0.433753
  C      -4.621713     -0.790964      1.592391
  O      -4.656232     -2.016544      1.521795
  N      -4.360962     -0.055859      2.720480
  C      -3.830628     -0.552845      3.810741
  C      -4.537098      1.470016      0.534830
  C      -7.713826     10.190432     -0.474406
  C      -7.238768      8.854232      0.018619
  O      -7.436890      7.818673     -0.598351
  C      -6.491205      8.825681      1.318798
  C      -6.025307      9.973306      1.970518
  C      -5.328044      9.865911      3.165257
  C      -5.077465      8.612088      3.704579
  F      -4.421658      8.550813      4.880118
  C      -5.525253      7.441367      3.079954
  C      -5.267817      6.069536      3.582411
  O      -6.059745      5.143893      3.367849
  N      -4.084730      5.917459      4.278479
  C      -3.742083      4.693557      4.529858
  C      -6.243106      7.579338      1.893150
  C     -13.781976     -0.744636      4.105733
  C     -12.741980     -0.057822      4.944887
  O     -12.954061      0.299160      6.091685
  C     -11.399335      0.180747      4.313098
  C     -10.993249     -0.423813      3.118905
  C      -9.733061     -0.159670      2.602769
  C      -8.879991      0.695837      3.283412
  F      -7.667758      0.943896      2.715875
  C      -9.240438      1.317730      4.478237
  C      -8.388135      2.243381      5.292976
  O      -8.917785      3.142985      5.953277
  N      -7.040927      2.011559      5.251251
  C      -6.334331      2.480598      6.262280
  C     -10.519021      1.043354      4.966614
  H      -5.425864      4.999648     -1.670849
  H      -3.996042      5.733294     -0.921984
  H      -3.821370      4.371103     -2.076670
  H      -5.760650      2.682020     -2.397037
  H      -6.371606      0.291415     -2.637944
  H      -3.581111     -1.624614      3.893170
  H      -3.984128      1.782197      1.406916
  H      -8.295983     10.696208      0.298767
  H      -6.852488     10.816792     -0.721652
  H      -8.322633     10.052475     -1.368455
  H      -6.200584     10.956814      1.552334
  H      -4.970908     10.744682      3.689495
  H      -4.423245      3.878012      4.050923
  H      -6.608920      6.682265      1.404414
  H     -14.735089     -0.739449      4.635538
  H     -13.480969     -1.780262      3.925688
  H     -13.887011     -0.244097      3.141171
  H     -11.647197     -1.101806      2.584786
  H      -9.393957     -0.607335      1.675541
  H      -6.877897      2.775048      7.177351
  H     -10.832615      1.522727      5.888069
  N      -2.242968      2.195610      3.106448
  N      -1.368287      2.091571      2.174641
88
Coordinates from ORCA-job orca E -6723.573806502290
  N      -3.528977      0.239690      4.829052
  Mo     -3.658203      2.329828      4.656495
  N      -5.003727      2.519264      6.276443
  C      -4.348177      2.971581      7.492014
  C      -3.053212      2.188549      7.716806
  N      -2.242939      2.013394      6.471915
  C      -1.733211      0.626192      6.385950
  C      -2.875278     -0.310088      6.004342
  C      -1.136194      3.000872      6.421574
  C      -1.718601      4.383498      6.082123
  N      -2.809419      4.066032      5.210096
  H      -2.472779     -1.315201      5.811320
  H      -3.609647     -0.399351      6.821369
  H      -0.977213      0.591541      5.591933
  H      -1.270087      0.305436      7.331775
  H      -2.065694      4.923806      6.976075
  H      -0.970603      5.012146      5.578068
  H      -0.580431      3.019788      7.369699
  H      -0.454822      2.702306      5.616375
  H      -4.994243      2.841479      8.373983
  H      -4.142574      4.051088      7.403091
  H      -3.321632      1.198995      8.100943
  H      -2.458256      2.693843      8.489848
  C      -4.381183      4.896341     -1.277410
  C      -4.494241      3.930970     -0.131971
  O      -4.333169      4.284640      1.035554
  C      -4.830354      2.509853     -0.434157
  C      -5.496902      2.091227     -1.595677
  C      -5.869924      0.760402     -1.735782
  C      -5.592228     -0.148910     -0.717447
  F      -6.033239     -1.411253     -0.869908
  C      -4.910645      0.226734      0.447271
  C      -4.629640     -0.707409      1.597410
  O      -4.681666     -1.935351      1.508427
  N      -4.353852      0.003165      2.744204
  C      -3.827484     -0.549216      3.810367
  C      -4.520806      1.565176      0.546367
  C      -7.744435     10.077018     -0.552771
  C      -7.257837      8.750343     -0.033781
  O      -7.450871      7.702959     -0.639923
  C      -6.511350      8.746355      1.267753
  C      -6.055486      9.912405      1.899310
  C      -5.356248      9.834649      3.097744
  C      -5.094574      8.590918      3.660606
  F      -4.437970      8.561886      4.837553
  C      -5.532021      7.401399      3.058192
  C      -5.266161      6.034839      3.581492
  O      -6.056318      5.109288      3.374845
  N      -4.074207      5.893507      4.281779
  C      -3.730398      4.670245      4.537972
  C      -6.251746      7.511239      1.866819
  C     -13.800458     -0.732745      4.115540
  C     -12.749801     -0.063158      4.962628
  O     -12.960818      0.266447      6.123203
  C     -11.412030      0.191361      4.329253
  C     -11.017221     -0.387995      3.114950
  C      -9.760092     -0.114754      2.590772
  C      -8.898212      0.725730      3.284638
  F      -7.697856      0.985800      2.713573
  C      -9.245798      1.322589      4.499500
  C      -8.377713      2.229355      5.322121
  O      -8.902793      3.118968      6.005628
  N      -7.025710      1.989882      5.261753
  C      -6.322846      2.449355      6.277876
  C     -10.522254      1.039541      4.994874
  H      -5.384486      5.115119     -1.665688
  H      -3.933168      5.831538     -0.933313
  H      -3.790758      4.463404     -2.091172
  H      -5.748214      2.799929     -2.379797
  H      -6.395931      0.412331     -2.620611
  H      -3.593678     -1.627316      3.858633
  H      -3.958101      1.871667      1.417353
  H      -8.333573     10.595225      0.211076
  H      -6.886904     10.709612     -0.810790
  H      -8.351699      9.917546     -1.446807
  H      -6.240287     10.888861      1.461255
  H      -5.006208     10.728420      3.606948
  H      -4.418695      3.853746      4.058888
  H      -6.609627      6.600101      1.393637
  H     -14.750633     -0.739434      4.654900
  H     -13.502154     -1.767135      3.907412
  H     -13.915544     -0.211133      3.159975
  H     -11.680175     -1.054330      2.571084
  H      -9.430115     -0.542542      1.647841
  H      -6.864068      2.743611      7.195196
  H     -10.826772      1.499662      5.931646
  N      -2.240076      2.162939      3.141972
  N      -1.464986      2.069509      2.317362
88
Coordinates from ORCA-job orca E -6723.585492573783
  N      -3.443828      0.214592      4.905358
  Mo     -3.593226      2.289688      4.743604
  N      -4.936244      2.463998      6.360397
  C      -4.290671      2.909470      7.586620
  C      -2.996964      2.131484      7.801479
  N      -2.185022      1.977343      6.545325
  C      -1.654105      0.590622      6.446404
  C      -2.784332     -0.354502      6.067131
  C      -1.085384      2.979814      6.488232
  C      -1.677116      4.359410      6.158868
  N      -2.768126      4.044119      5.286460
  H      -2.376751     -1.355653      5.856896
  H      -3.510384     -0.458412      6.891052
  H      -0.900712      0.577967      5.647832
  H      -1.178296      0.277372      7.390481
  H      -2.028567      4.894213      7.055869
  H      -0.933610      4.995778      5.655281
  H      -0.524293      2.994724      7.434813
  H      -0.408047      2.683026      5.677738
  H      -4.939469      2.766376      8.465963
  H      -4.083977      3.991152      7.514935
  H      -3.253270      1.131263      8.169814
  H      -2.395121      2.627592      8.577498
  C      -4.762476      5.029380     -1.268078
  C      -4.709471      4.078269     -0.099972
  O      -4.362470      4.453196      1.018351
  C      -5.094960      2.651627     -0.326051
  C      -5.884685      2.221724     -1.404383
  C      -6.270280      0.888327     -1.494228
  C      -5.876350     -0.013143     -0.506928
  F      -6.321784     -1.279894     -0.611552
  C      -5.080701      0.371742      0.583498
  C      -4.681791     -0.568882      1.693437
  O      -4.737328     -1.796648      1.584104
  N      -4.330582      0.108853      2.845541
  C      -3.765348     -0.520851      3.851554
  C      -4.694949      1.715761      0.632161
  C      -7.622008      9.817428     -0.759449
  C      -7.146070      8.518691     -0.154062
  O      -7.321502      7.443427     -0.718629
  C      -6.440343      8.579501      1.167572
  C      -6.009265      9.782088      1.750575
  C      -5.338614      9.772800      2.969258
  C      -5.084949      8.559500      3.602199
  F      -4.457606      8.600835      4.795061
  C      -5.501675      7.334940      3.054276
  C      -5.248417      5.990824      3.649332
  O      -6.035491      5.062157      3.455883
  N      -4.051537      5.871044      4.359376
  C      -3.697498      4.649869      4.615818
  C      -6.190722      7.378126      1.838956
  C     -13.659167     -0.771688      3.851381
  C     -12.620327     -0.170499      4.769630
  O     -12.842341      0.003551      5.963668
  C     -11.299637      0.210924      4.171791
  C     -10.902198     -0.193977      2.886761
  C      -9.660928      0.185112      2.388305
  C      -8.815987      0.958516      3.179020
  F      -7.643720      1.340487      2.632371
  C      -9.165107      1.381047      4.467860
  C      -8.308578      2.208143      5.384663
  O      -8.854725      2.998858      6.168213
  N      -6.949037      1.991927      5.299203
  C      -6.260421      2.392348      6.349417
  C     -10.427534      0.997222      4.933997
  H      -5.813406      5.257265     -1.506538
  H      -4.258148      5.965399     -1.006727
  H      -4.305983      4.581718     -2.160990
  H      -6.214984      2.925121     -2.168563
  H      -6.889127      0.530731     -2.316847
  H      -3.556875     -1.605521      3.842655
  H      -4.059090      2.038123      1.447070
  H      -8.238788     10.377415     -0.043182
  H      -6.758463     10.445854     -1.023482
  H      -8.200511      9.607071     -1.664893
  H      -6.189333     10.735840      1.255602
  H      -5.005514     10.696551      3.441709
  H      -4.393666      3.828931      4.133362
  H      -6.529228      6.438834      1.402476
  H     -14.604319     -0.880191      4.393664
  H     -13.327390     -1.763930      3.511034
  H     -13.805818     -0.142841      2.962921
  H     -11.555224     -0.806611      2.266129
  H      -9.331204     -0.104294      1.390706
  H      -6.803980      2.664598      7.272967
  H     -10.735215      1.324660      5.926775
  N      -2.168492      2.154391      3.252293
  N      -1.399477      2.076605      2.453342
88
Coordinates from ORCA-job orca E -6723.596145310234
  N      -3.438049      0.127995      4.994177
  Mo     -3.585240      2.177850      4.780315
  N      -4.884071      2.402360      6.417772
  C      -4.214758      2.870095      7.625440
  C      -2.927329      2.087146      7.823221
  N      -2.148391      1.903864      6.539560
  C      -1.617766      0.505338      6.459653
  C      -2.758771     -0.443876      6.139247
  C      -1.045016      2.904887      6.417854
  C      -1.635565      4.278715      6.071142
  N      -2.753842      3.958144      5.234174
  H      -2.367486     -1.453029      5.929872
  H      -3.459007     -0.529152      6.988276
  H      -0.887654      0.480899      5.638975
  H      -1.109653      0.224275      7.398783
  H      -1.960697      4.840077      6.963146
  H      -0.900145      4.895928      5.530746
  H      -0.456152      2.936246      7.348538
  H      -0.396074      2.575201      5.596056
  H      -4.847236      2.750211      8.521176
  H      -3.995097      3.948550      7.532235
  H      -3.172695      1.090677      8.211985
  H      -2.291194      2.589099      8.569754
  C      -4.616842      5.318174     -0.989525
  C      -4.548956      4.328075      0.151493
  O      -4.069366      4.646102      1.237402
  C      -5.079137      2.943370     -0.070725
  C      -5.964435      2.616372     -1.111857
  C      -6.466914      1.321509     -1.221794
  C      -6.088660      0.354913     -0.290497
  F      -6.640017     -0.868823     -0.417745
  C      -5.207056      0.634808      0.769300
  C      -4.826639     -0.379293      1.815673
  O      -4.959141     -1.595775      1.644850
  N      -4.379897      0.207431      2.990884
  C      -3.820909     -0.544250      3.919124
  C      -4.715975      1.944453      0.838363
  C      -7.746904      9.441160     -0.984625
  C      -7.260673      8.176565     -0.307209
  O      -7.461649      7.072796     -0.809271
  C      -6.523499      8.307598      0.989990
  C      -6.076679      9.545754      1.485813
  C      -5.372858      9.612743      2.685313
  C      -5.105109      8.438030      3.385887
  F      -4.445842      8.556001      4.556951
  C      -5.536500      7.180503      2.929434
  C      -5.275030      5.866612      3.596618
  O      -6.078273      4.942744      3.473229
  N      -4.053880      5.775892      4.285859
  C      -3.699732      4.559700      4.570164
  C      -6.257172      7.149095      1.730261
  C     -13.563096     -0.803484      3.667455
  C     -12.528712     -0.279783      4.644832
  O     -12.749581     -0.275846      5.854146
  C     -11.235970      0.232019      4.094252
  C     -10.850100      0.017129      2.757691
  C      -9.634432      0.507097      2.291065
  C      -8.801156      1.201935      3.166855
  F      -7.667460      1.710886      2.657899
  C      -9.137010      1.433037      4.510080
  C      -8.278817      2.169074      5.502719
  O      -8.833096      2.856859      6.374584
  N      -6.912421      1.981143      5.367218
  C      -6.215042      2.341359      6.426291
  C     -10.376457      0.945153      4.941904
  H      -5.660555      5.651136     -1.130974
  H      -4.007168      6.197512     -0.748465
  H      -4.281928      4.863637     -1.935540
  H      -6.274392      3.372921     -1.837378
  H      -7.161092      1.043732     -2.018589
  H      -3.671282     -1.635224      3.838789
  H      -4.017274      2.193166      1.632793
  H      -8.345534     10.055026     -0.292186
  H      -6.887701     10.053237     -1.309274
  H      -8.348337      9.175617     -1.862834
  H      -6.270674     10.469328      0.934844
  H      -5.025417     10.565453      3.092103
  H      -4.429215      3.731767      4.124363
  H      -6.606673      6.183194      1.361148
  H     -14.493986     -1.021842      4.205705
  H     -13.199656     -1.730548      3.191204
  H     -13.754761     -0.073692      2.864561
  H     -11.497655     -0.533527      2.070956
  H      -9.316688      0.368620      1.254724
  H      -6.736325      2.614562      7.362743
  H     -10.676000      1.126533      5.976435
  N      -2.203384      2.014022      3.279291
  N      -1.441652      1.914851      2.462563
88
Coordinates from ORCA-job orca E -6723.603501593434
  N      -3.440049      0.056068      5.110953
  Mo     -3.579557      2.076594      4.782263
  N      -4.857917      2.390887      6.415886
  C      -4.178553      2.908750      7.597331
  C      -2.896333      2.127037      7.817094
  N      -2.136858      1.882684      6.526491
  C      -1.602130      0.476830      6.510440
  C      -2.750985     -0.482961      6.259391
  C      -1.032270      2.875816      6.335910
  C      -1.620038      4.232393      5.931465
  N      -2.751577      3.886621      5.119289
  H      -2.376274     -1.505383      6.086551
  H      -3.433976     -0.521985      7.125279
  H      -0.885375      0.417050      5.680228
  H      -1.075771      0.252736      7.454667
  H      -1.932038      4.838213      6.799049
  H      -0.885710      4.817465      5.354682
  H      -0.430399      2.947546      7.256411
  H      -0.398162      2.498051      5.523427
  H      -4.805423      2.835064      8.502113
  H      -3.949315      3.979940      7.455274
  H      -3.135660      1.146926      8.248735
  H      -2.238735      2.653172      8.527733
  C      -4.459061      5.320871     -0.883329
  C      -4.406881      4.342494      0.268851
  O      -3.823242      4.626377      1.312670
  C      -5.078924      3.013956      0.109112
  C      -6.044746      2.754923     -0.878158
  C      -6.662361      1.507097     -0.942383
  C      -6.310988      0.519300     -0.022722
  F      -6.963845     -0.657635     -0.111147
  C      -5.353312      0.734244      0.986640
  C      -4.988675     -0.300984      2.010034
  O      -5.195272     -1.506591      1.840110
  N      -4.439541      0.238294      3.170072
  C      -3.884050     -0.588244      4.045401
  C      -4.760454      2.000223      1.014885
  C      -7.888560      9.503027     -0.970728
  C      -7.396528      8.211644     -0.347004
  O      -7.659808      7.128066     -0.867569
  C      -6.588117      8.290721      0.907371
  C      -6.092791      9.511693      1.402385
  C      -5.329938      9.543349      2.565811
  C      -5.054376      8.349301      3.230766
  F      -4.339811      8.433498      4.372111
  C      -5.526854      7.107865      2.774913
  C      -5.264395      5.778604      3.418918
  O      -6.090695      4.875225      3.317624
  N      -4.036250      5.679324      4.102417
  C      -3.699629      4.469332      4.437270
  C      -6.305141      7.112330      1.610951
  C     -13.430709     -0.923902      3.482927
  C     -12.411886     -0.433068      4.496526
  O     -12.628111     -0.550997      5.701973
  C     -11.154646      0.191957      3.992603
  C     -10.776575      0.122475      2.637537
  C      -9.593909      0.714449      2.205688
  C      -8.783283      1.365386      3.136448
  F      -7.690959      1.987927      2.669336
  C      -9.110522      1.447784      4.500404
  C      -8.265674      2.131686      5.540751
  O      -8.835690      2.735199      6.462887
  N      -6.893319      1.980920      5.377416
  C      -6.192538      2.341524      6.434762
  C     -10.319232      0.864592      4.896149
  H      -5.473206      5.754120     -0.961109
  H      -3.751159      6.137847     -0.696125
  H      -4.234953      4.828971     -1.843501
  H      -6.325849      3.528354     -1.597736
  H      -7.420884      1.281170     -1.695520
  H      -3.802043     -1.681493      3.938209
  H      -4.004802      2.204643      1.769507
  H      -8.432344     10.118966     -0.235761
  H      -7.036103     10.105305     -1.330813
  H      -8.543693      9.268848     -1.818688
  H      -6.298947     10.448951      0.879681
  H      -4.945405     10.480790      2.974396
  H      -4.454284      3.631046      4.036050
  H      -6.695672      6.161613      1.245260
  H     -14.341117     -1.237244      4.008690
  H     -13.027987     -1.784739      2.920914
  H     -13.672020     -0.140346      2.746291
  H     -11.408043     -0.392878      1.909684
  H      -9.286082      0.692450      1.157338
  H      -6.699101      2.636353      7.371862
  H     -10.613389      0.933022      5.945931
  N      -2.201878      1.854179      3.307783
  N      -1.426964      1.716144      2.495745
88
Coordinates from ORCA-job orca E -6723.607905836933
  N      -3.405565      0.053395      5.200547
  Mo     -3.560034      2.055727      4.826586
  N      -4.840602      2.381194      6.455676
  C      -4.166056      2.914026      7.631173
  C      -2.876326      2.144281      7.857612
  N      -2.122950      1.895931      6.563533
  C      -1.562631      0.497264      6.566575
  C      -2.705405     -0.478270      6.337147
  C      -1.030752      2.899746      6.355883
  C      -1.631683      4.243975      5.939718
  N      -2.762327      3.887425      5.126304
  H      -2.333405     -1.501893      6.170605
  H      -3.378238     -0.507616      7.210158
  H      -0.849962      0.439683      5.734103
  H      -1.026541      0.303331      7.510298
  H      -1.947640      4.855281      6.801357
  H      -0.900361      4.828252      5.359304
  H      -0.427087      2.986699      7.273343
  H      -0.396591      2.516190      5.547173
  H      -4.793244      2.844819      8.535440
  H      -3.944937      3.984819      7.478675
  H      -3.101218      1.164535      8.295148
  H      -2.213264      2.677417      8.556325
  C      -4.906001      5.178614     -1.120401
  C      -4.706772      4.288213      0.083011
  O      -3.983400      4.632292      1.014552
  C      -5.408008      2.972662      0.115212
  C      -6.478724      2.660463     -0.737520
  C      -7.107102      1.423017     -0.642679
  C      -6.657642      0.499110      0.297472
  F      -7.317640     -0.675074      0.360871
  C      -5.597014      0.771996      1.181283
  C      -5.136098     -0.210928      2.208452
  O      -5.355153     -1.418537      2.098875
  N      -4.480981      0.331578      3.316743
  C      -3.894973     -0.548321      4.135213
  C      -5.001651      2.028233      1.058475
  C      -7.581815      9.689736     -1.018677
  C      -7.145598      8.377572     -0.400368
  O      -7.408940      7.312515     -0.958736
  C      -6.393704      8.409071      0.885380
  C      -5.893102      9.607327      1.427122
  C      -5.177631      9.595242      2.618637
  C      -4.955935      8.380220      3.264620
  F      -4.284340      8.420776      4.433827
  C      -5.436244      7.161829      2.764403
  C      -5.227036      5.814579      3.391491
  O      -6.059856      4.926704      3.231916
  N      -4.022566      5.680992      4.103090
  C      -3.706791      4.466043      4.440269
  C      -6.167015      7.210946      1.572774
  C     -13.182698     -1.155189      3.213973
  C     -12.202987     -0.689502      4.275698
  O     -12.411478     -0.942838      5.460929
  C     -10.999279      0.074263      3.847812
  C     -10.622695      0.175075      2.495464
  C      -9.490023      0.893969      2.131308
  C      -8.725546      1.501478      3.127342
  F      -7.685155      2.255960      2.735227
  C      -9.052278      1.411739      4.490396
  C      -8.249005      2.043795      5.592787
  O      -8.850616      2.530846      6.559973
  N      -6.870924      1.970649      5.413916
  C      -6.174453      2.323195      6.477679
  C     -10.212415      0.707237      4.819102
  H      -5.915672      5.625019     -1.095150
  H      -4.169994      5.989669     -1.089291
  H      -4.819032      4.616808     -2.061231
  H      -6.829633      3.382881     -1.475423
  H      -7.944315      1.154188     -1.286749
  H      -3.863748     -1.636404      3.994165
  H      -4.169261      2.284498      1.708731
  H      -8.144649     10.303838     -0.300106
  H      -6.705475     10.281721     -1.327753
  H      -8.200849      9.483144     -1.897738
  H      -6.057066     10.557505      0.918608
  H      -4.788882     10.511117      3.063807
  H      -4.471170      3.630361      4.042705
  H      -6.565234      6.279958      1.171586
  H     -14.061943     -1.585964      3.704070
  H     -12.719552     -1.921626      2.572104
  H     -13.486427     -0.327807      2.555705
  H     -11.217768     -0.305394      1.718730
  H      -9.188023      1.005367      1.089621
  H      -6.676100      2.598331      7.421709
  H     -10.506399      0.642921      5.867480
  N      -2.162438      1.851101      3.384210
  N      -1.358591      1.714829      2.580043
88
Coordinates from ORCA-job orca E -6723.612192036202
  N      -3.465302      0.034755      5.168714
  Mo     -3.632627      2.025460      4.760861
  N      -4.936526      2.346975      6.380250
  C      -4.274050      2.897571      7.552741
  C      -2.978851      2.140745      7.796865
  N      -2.219096      1.890375      6.509686
  C      -1.635410      0.499439      6.531820
  C      -2.766568     -0.495009      6.300145
  C      -1.137818      2.905863      6.304983
  C      -1.749608      4.240269      5.879019
  N      -2.867845      3.874507      5.048844
  H      -2.389612     -1.516664      6.137272
  H      -3.442821     -0.523989      7.170089
  H      -0.916084      0.447174      5.705675
  H      -1.102875      0.329244      7.480735
  H      -2.081330      4.850791      6.734548
  H      -1.015256      4.829646      5.308300
  H      -0.542927      3.004068      7.226542
  H      -0.492731      2.523978      5.504856
  H      -4.907120      2.827475      8.452371
  H      -4.065178      3.969179      7.392517
  H      -3.197514      1.162062      8.237849
  H      -2.318945      2.680239      8.492348
  C      -4.485905      5.270979     -1.224315
  C      -4.409950      4.404004      0.007715
  O      -3.755319      4.744465      0.990350
  C      -5.148464      3.114224      0.011267
  C      -6.138938      2.808432     -0.934082
  C      -6.802493      1.589657     -0.875083
  C      -6.464600      0.677890      0.119524
  F      -7.143805     -0.486257      0.134921
  C      -5.490069      0.947558      1.096706
  C      -5.145693     -0.042550      2.152796
  O      -5.351770     -1.245637      1.997512
  N      -4.514254      0.440005      3.306124
  C      -3.982641     -0.513190      4.093799
  C      -4.857338      2.186461      1.012234
  C      -7.387547      9.910106     -1.074682
  C      -6.987850      8.574782     -0.486430
  O      -7.236762      7.532871     -1.093192
  C      -6.290503      8.550042      0.826640
  C      -5.805620      9.720655      1.437372
  C      -5.140233      9.652762      2.654526
  C      -4.953008      8.410341      3.257166
  F      -4.329799      8.397694      4.453310
  C      -5.418661      7.218207      2.686553
  C      -5.248220      5.844479      3.265383
  O      -6.066582      4.964431      3.017185
  N      -4.084532      5.676964      4.020696
  C      -3.798931      4.453656      4.351194
  C      -6.099874      7.324508      1.471593
  C     -13.333551     -1.500494      3.686732
  C     -12.301718     -0.981659      4.669195
  O     -12.417814     -1.222462      5.869124
  C     -11.160550     -0.182759      4.148918
  C     -10.889188     -0.079186      2.773715
  C      -9.810511      0.670990      2.323304
  C      -8.993126      1.309933      3.254224
  F      -7.994769      2.081804      2.783991
  C      -9.219555      1.222859      4.636049
  C      -8.367411      1.896351      5.674094
  O      -8.920706      2.362765      6.677575
  N      -7.001642      1.875526      5.403786
  C      -6.269124      2.269910      6.427859
  C     -10.326179      0.483878      5.054000
  H      -5.479578      5.743928     -1.294766
  H      -3.731889      6.060628     -1.147212
  H      -4.337060      4.688200     -2.141961
  H      -6.398578      3.520938     -1.715286
  H      -7.578788      1.324160     -1.590191
  H      -3.992278     -1.589938      3.894905
  H      -4.085988      2.446037      1.734271
  H      -7.974725     10.504094     -0.361278
  H      -6.497216     10.505019     -1.326166
  H      -7.969786      9.737226     -1.983961
  H      -5.943241     10.690344      0.963198
  H      -4.764795     10.544081      3.153581
  H      -4.565696      3.625968      3.943078
  H      -6.490673      6.415831      1.017774
  H     -14.156557     -1.954295      4.245770
  H     -12.889367     -2.258468      3.024826
  H     -13.715022     -0.698592      3.040220
  H     -11.523374     -0.584353      2.047857
  H      -9.591709      0.780967      1.264152
  H      -6.743090      2.538613      7.387146
  H     -10.541330      0.420170      6.120249
  N      -2.198523      1.848273      3.361258
  N      -1.369767      1.721836      2.585589
88
Coordinates from ORCA-job orca E -6723.604499818111
  N      -3.515552     -0.050603      5.135315
  Mo     -3.665457      1.937385      4.664060
  N      -4.953200      2.306149      6.294325
  C      -4.264195      2.877065      7.446065
  C      -2.968264      2.118699      7.687944
  N      -2.228154      1.836446      6.396993
  C      -1.643244      0.444825      6.441036
  C      -2.779134     -0.558232      6.255733
  C      -1.147708      2.846298      6.153983
  C      -1.763820      4.174411      5.706845
  N      -2.890757      3.790346      4.897971
  H      -2.409369     -1.584853      6.105524
  H      -3.431199     -0.563692      7.145920
  H      -0.940510      0.370234      5.601229
  H      -1.092617      0.297424      7.384301
  H      -2.085869      4.804058      6.552263
  H      -1.034698      4.752259      5.116699
  H      -0.536993      2.965280      7.063233
  H      -0.514241      2.447039      5.352170
  H      -4.883265      2.827925      8.357234
  H      -4.053042      3.944677      7.261213
  H      -3.191632      1.151871      8.154083
  H      -2.296294      2.669218      8.363956
  C      -3.996947      5.685582     -0.511882
  C      -3.995753      4.638720      0.576422
  O      -3.246504      4.729120      1.548320
  C      -4.925699      3.478294      0.454469
  C      -5.976973      3.439940     -0.475587
  C      -6.810481      2.327500     -0.541217
  C      -6.582527      1.250984      0.311357
  F      -7.422708      0.202512      0.210441
  C      -5.552058      1.254071      1.269771
  C      -5.304843      0.102039      2.177435
  O      -5.648095     -1.048999      1.897624
  N      -4.609867      0.414379      3.350809
  C      -4.115706     -0.588018      4.098442
  C      -4.748130      2.394038      1.318204
  C      -7.472018      9.572612     -1.399692
  C      -7.049889      8.270196     -0.755535
  O      -7.277711      7.196837     -1.313555
  C      -6.350929      8.315628      0.560195
  C      -5.888761      9.517555      1.127232
  C      -5.220459      9.507795      2.346571
  C      -5.006406      8.293098      2.996468
  F      -4.381010      8.341501      4.190968
  C      -5.450346      7.070137      2.467513
  C      -5.257724      5.716903      3.084714
  O      -6.059933      4.815310      2.854634
  N      -4.098476      5.580845      3.844683
  C      -3.825500      4.360851      4.196219
  C      -6.135783      7.119331      1.250974
  C     -13.334337     -1.679576      3.791373
  C     -12.279479     -1.156624      4.745905
  O     -12.324761     -1.444942      5.940692
  C     -11.195120     -0.290923      4.201858
  C     -11.001200     -0.113895      2.820858
  C      -9.973914      0.696531      2.352439
  C      -9.129358      1.321651      3.267716
  F      -8.185592      2.149708      2.778772
  C      -9.277447      1.162993      4.654323
  C      -8.400478      1.816203      5.687425
  O      -8.925911      2.242896      6.724656
  N      -7.045253      1.824339      5.376946
  C      -6.284366      2.239828      6.370768
  C     -10.336377      0.365088      5.093418
  H      -4.908400      6.303953     -0.444719
  H      -3.127012      6.338222     -0.378207
  H      -3.983415      5.231176     -1.512699
  H      -6.152684      4.280246     -1.148165
  H      -7.639140      2.272306     -1.248227
  H      -4.196856     -1.661205      3.885511
  H      -3.929221      2.445809      2.036051
  H      -8.071755     10.185724     -0.710361
  H      -6.589223     10.171277     -1.675299
  H      -8.050857      9.351641     -2.302938
  H      -6.046147     10.468134      0.616547
  H      -4.861969     10.426626      2.812054
  H      -4.601467      3.538297      3.822501
  H      -6.510799      6.185282      0.831754
  H     -14.112529     -2.190213      4.369004
  H     -12.889205     -2.392754      3.079168
  H     -13.778335     -0.867630      3.196474
  H     -11.656147     -0.608860      2.102865
  H      -9.817575      0.863035      1.287765
  H      -6.738593      2.527300      7.335979
  H     -10.492338      0.244619      6.166583
  N      -2.237797      1.722820      3.256082
  N      -1.434821      1.577743      2.500469
88
Coordinates from ORCA-job orca E -6723.616296710683
  N      -3.519535      0.016729      5.199089
  Mo     -3.639077      2.022797      4.739865
  N      -4.919198      2.390420      6.378725
  C      -4.214352      2.939896      7.534600
  C      -2.923120      2.165346      7.760938
  N      -2.189701      1.891024      6.464418
  C      -1.612694      0.498462      6.487130
  C      -2.757116     -0.493889      6.305216
  C      -1.101160      2.894061      6.226298
  C      -1.709055      4.233348      5.800206
  N      -2.841172      3.864190      4.993927
  H      -2.397025     -1.522376      6.143222
  H      -3.392640     -0.498770      7.208174
  H      -0.917860      0.424360      5.639986
  H      -1.055672      0.337096      7.424881
  H      -2.023717      4.854029      6.655053
  H      -0.979043      4.815482      5.214655
  H      -0.481472      2.997666      7.131682
  H      -0.476509      2.500246      5.414442
  H      -4.828949      2.886286      8.448743
  H      -3.992076      4.007449      7.361757
  H      -3.158876      1.196252      8.217507
  H      -2.244760      2.701551      8.442689
  C      -4.125509      5.146799     -1.110710
  C      -4.127922      4.261273      0.114028
  O      -3.369763      4.480587      1.057634
  C      -5.068480      3.099277      0.160333
  C      -6.129406      2.945895     -0.747057
  C      -6.971615      1.841269     -0.658551
  C      -6.737115      0.878534      0.318744
  F      -7.579374     -0.171639      0.357003
  C      -5.691582      0.994458      1.255161
  C      -5.421667     -0.057555      2.274888
  O      -5.763966     -1.232670      2.114227
  N      -4.700543      0.366933      3.396806
  C      -4.167296     -0.562913      4.207814
  C      -4.885377      2.132085      1.156829
  C      -7.571611      9.766260     -1.102839
  C      -7.091989      8.456978     -0.515684
  O      -7.273028      7.397115     -1.113635
  C      -6.390850      8.478636      0.802421
  C      -5.983874      9.671431      1.427676
  C      -5.311894      9.632829      2.645574
  C      -5.038108      8.399742      3.236161
  F      -4.413482      8.420154      4.431884
  C      -5.424807      7.184533      2.644617
  C      -5.174427      5.810856      3.188712
  O      -5.929521      4.884211      2.894639
  N      -4.031884      5.681514      3.968737
  C      -3.772131      4.453751      4.303636
  C      -6.117377      7.261872      1.433904
  C     -13.184650     -1.557534      3.513215
  C     -12.179060     -1.046792      4.524708
  O     -12.269986     -1.359783      5.710202
  C     -11.079966     -0.157897      4.044539
  C     -10.834706      0.060408      2.677327
  C      -9.794457      0.889264      2.272696
  C      -8.990566      1.491974      3.237260
  F      -8.031016      2.334244      2.805856
  C      -9.190648      1.295113      4.612384
  C      -8.360161      1.923740      5.699407
  O      -8.924451      2.321448      6.728479
  N      -6.997445      1.939996      5.438242
  C      -6.248525      2.336289      6.448986
  C     -10.260694      0.477693      4.987539
  H      -5.031315      5.775216     -1.129759
  H      -3.250228      5.805936     -1.073954
  H      -4.118703      4.554557     -2.038152
  H      -6.309546      3.695065     -1.520347
  H      -7.811033      1.703049     -1.342996
  H      -4.255820     -1.648350      4.062449
  H      -4.057674      2.268864      1.853918
  H      -8.196206     10.321900     -0.385720
  H      -6.714146     10.413019     -1.352447
  H      -8.143220      9.560359     -2.015508
  H      -6.187942     10.638803      0.964366
  H      -4.996409     10.545011      3.156054
  H      -4.557061      3.649736      3.929393
  H      -6.451630      6.331950      0.970456
  H     -13.982809     -2.090513      4.043599
  H     -12.698558     -2.249328      2.805119
  H     -13.611033     -0.734480      2.919013
  H     -11.458197     -0.417630      1.918992
  H      -9.596955      1.086272      1.218018
  H      -6.714374      2.620571      7.410759
  H     -10.457301      0.325686      6.050746
  N      -2.215194      1.804697      3.318152
  N      -1.419271      1.657393      2.560285
88
Coordinates from ORCA-job orca E -6723.616428500763
  N      -3.461364      0.029428      5.163134
  Mo     -3.634249      2.020719      4.723621
  N      -4.982329      2.315768      6.324140
  C      -4.334971      2.872627      7.505141
  C      -3.032592      2.132358      7.765338
  N      -2.250960      1.905280      6.488620
  C      -1.622035      0.532624      6.506497
  C      -2.720596     -0.498123      6.267496
  C      -1.193412      2.952414      6.308539
  C      -1.834458      4.275467      5.891271
  N      -2.924342      3.891715      5.030204
  H      -2.320053     -1.506601      6.083390
  H      -3.379185     -0.556903      7.150440
  H      -0.899252      0.506231      5.682089
  H      -1.087949      0.377469      7.456599
  H      -2.202053      4.863665      6.747640
  H      -1.103423      4.895301      5.348758
  H      -0.609790      3.056062      7.236996
  H      -0.528716      2.598456      5.511691
  H      -4.977820      2.786960      8.396374
  H      -4.141206      3.947915      7.353093
  H      -3.249497      1.148034      8.195027
  H      -2.390441      2.673959      8.475461
  C      -4.399716      5.269322     -1.295992
  C      -4.281596      4.398607     -0.070009
  O      -3.485873      4.665748      0.827855
  C      -5.148888      3.194504      0.030229
  C      -6.215136      2.959084     -0.849558
  C      -6.981974      1.808260     -0.720047
  C      -6.668693      0.890937      0.276387
  F      -7.434319     -0.214444      0.351551
  C      -5.623851      1.097366      1.196302
  C      -5.289517      0.079579      2.229205
  O      -5.592324     -1.104121      2.086455
  N      -4.595810      0.505592      3.369826
  C      -4.090411     -0.487098      4.134339
  C      -4.890221      2.271843      1.046159
  C      -7.038890     10.032298     -1.243161
  C      -6.671785      8.690456     -0.651134
  O      -6.829367      7.659033     -1.303922
  C      -6.108127      8.645878      0.726046
  C      -5.717919      9.806338      1.417780
  C      -5.164494      9.712006      2.688444
  C      -4.993586      8.455155      3.265726
  F      -4.477593      8.417733      4.510981
  C      -5.371847      7.272557      2.616124
  C      -5.212823      5.882082      3.155092
  O      -5.966224      4.988372      2.769044
  N      -4.111994      5.707413      3.995232
  C      -3.840974      4.472170      4.312935
  C      -5.945172      7.405186      1.348998
  C     -13.275653     -1.851682      3.817350
  C     -12.230693     -1.305795      4.769377
  O     -12.261627     -1.606686      5.960382
  C     -11.174965     -0.405889      4.228958
  C     -11.008199     -0.191485      2.850154
  C     -10.003734      0.647713      2.384752
  C      -9.155880      1.264757      3.301909
  F      -8.216961      2.103850      2.820770
  C      -9.284459      1.077695      4.685022
  C      -8.413566      1.739375      5.716101
  O      -8.938044      2.117597      6.770925
  N      -7.063068      1.791628      5.385608
  C      -6.311289      2.210429      6.385866
  C     -10.317208      0.247809      5.121727
  H      -5.343504      5.839044     -1.269342
  H      -3.564724      5.977454     -1.307887
  H      -4.406552      4.674019     -2.217949
  H      -6.453832      3.674901     -1.634772
  H      -7.819472      1.598821     -1.383031
  H      -4.193144     -1.556920      3.926028
  H      -4.062240      2.483240      1.715982
  H      -7.711984     10.592935     -0.580100
  H      -6.140570     10.651775     -1.382899
  H      -7.518192      9.873060     -2.213329
  H      -5.838590     10.788417      0.963894
  H      -4.861618     10.594792      3.248801
  H      -4.594325      3.660748      3.886631
  H      -6.269832      6.502912      0.833555
  H     -14.031448     -2.391426      4.395202
  H     -12.815258     -2.541990      3.095050
  H     -13.749602     -1.050023      3.234749
  H     -11.663499     -0.681988      2.132710
  H      -9.865359      0.838485      1.322998
  H      -6.774937      2.468902      7.353826
  H     -10.456403      0.102677      6.192664
  N      -2.140236      1.887989      3.380939
  N      -1.259844      1.779993      2.634363
88
Coordinates from ORCA-job orca E -6723.621355034000
  N      -3.468525      0.004694      5.172428
  Mo     -3.628520      2.001464      4.707127
  N      -4.958383      2.321023      6.322533
  C      -4.284534      2.880708      7.491384
  C      -2.982073      2.133524      7.736006
  N      -2.216822      1.897772      6.451542
  C      -1.587239      0.526669      6.466618
  C      -2.687036     -0.511144      6.258706
  C      -1.159998      2.943231      6.247369
  C      -1.806318      4.265551      5.830740
  N      -2.905749      3.872171      4.988251
  H      -2.283315     -1.516887      6.064818
  H      -3.318360     -0.573964      7.162426
  H      -0.880860      0.493085      5.627375
  H      -1.034555      0.377664      7.407930
  H      -2.164830      4.858133      6.688009
  H      -1.083143      4.884850      5.276181
  H      -0.558659      3.052988      7.164172
  H      -0.509246      2.584386      5.440586
  H      -4.913016      2.804141      8.393936
  H      -4.086266      3.954123      7.330397
  H      -3.204250      1.152489      8.172464
  H      -2.330007      2.674213      8.438698
  C      -4.115629      5.242105     -1.130642
  C      -4.069397      4.336400      0.077042
  O      -3.249752      4.518492      0.975916
  C      -5.037538      3.203099      0.158286
  C      -6.117006      3.065215     -0.727563
  C      -6.976973      1.977393     -0.616743
  C      -6.741936      1.018914      0.363465
  F      -7.591010     -0.024746      0.415513
  C      -5.684862      1.127287      1.287693
  C      -5.410908      0.063766      2.294202
  O      -5.776123     -1.101741      2.129656
  N      -4.669277      0.448430      3.416680
  C      -4.164176     -0.530529      4.193359
  C      -4.858324      2.244348      1.161045
  C      -7.276475      9.890199     -1.253825
  C      -6.860554      8.564096     -0.657510
  O      -7.017229      7.518146     -1.286215
  C      -6.248753      8.552900      0.703208
  C      -5.866668      9.729312      1.372810
  C      -5.267423      9.660619      2.625889
  C      -5.041988      8.414264      3.208269
  F      -4.482725      8.403449      4.435419
  C      -5.411033      7.215495      2.578055
  C      -5.200227      5.831126      3.112506
  O      -5.947044      4.918763      2.752925
  N      -4.094927      5.684961      3.948818
  C      -3.827911      4.450814      4.274360
  C      -6.031308      7.322446      1.330481
  C     -13.252257     -1.781865      3.698168
  C     -12.214724     -1.263810      4.673252
  O     -12.241230     -1.608801      5.852723
  C     -11.165301     -0.332951      4.166175
  C     -11.011896     -0.048163      2.797991
  C     -10.012282      0.816045      2.366879
  C      -9.156297      1.386945      3.305761
  F      -8.222980      2.248988      2.854961
  C      -9.271975      1.132569      4.679685
  C      -8.397855      1.744533      5.740348
  O      -8.920446      2.087841      6.809584
  N      -7.049689      1.808886      5.410081
  C      -6.285784      2.223450      6.402419
  C     -10.300815      0.278429      5.083603
  H      -5.012765      5.882949     -1.094966
  H      -3.228232      5.884885     -1.127277
  H      -4.164645      4.667490     -2.066502
  H      -6.296776      3.811829     -1.501920
  H      -7.829147      1.848697     -1.284717
  H      -4.307470     -1.604157      4.019686
  H      -4.016879      2.375871      1.838325
  H      -7.940390     10.444305     -0.573553
  H      -6.394482     10.526203     -1.430476
  H      -7.784834      9.709276     -2.206960
  H      -6.029972     10.705796      0.915517
  H      -4.969918     10.558141      3.169154
  H      -4.588408      3.645516      3.871707
  H      -6.350589      6.405928      0.833995
  H     -14.003949     -2.355042      4.251641
  H     -12.780529     -2.436736      2.948284
  H     -13.735104     -0.960066      3.149073
  H     -11.673439     -0.503362      2.060279
  H      -9.883448      1.059504      1.312816
  H      -6.742464      2.493605      7.371846
  H     -10.430682      0.079864      6.148344
  N      -2.156124      1.837155      3.336759
  N      -1.307674      1.714160      2.593951
88
Coordinates from ORCA-job orca E -6723.622931898436
  N      -3.479675      0.009561      5.168116
  Mo     -3.639772      2.010220      4.703168
  N      -4.967601      2.324230      6.324836
  C      -4.281858      2.876065      7.491882
  C      -2.978743      2.124342      7.722563
  N      -2.217237      1.903755      6.434889
  C      -1.578338      0.539235      6.435039
  C      -2.666942     -0.512911      6.229183
  C      -1.167247      2.957758      6.232653
  C      -1.822807      4.279449      5.828485
  N      -2.921450      3.883269      4.986142
  H      -2.244467     -1.503840      6.002726
  H      -3.276373     -0.613496      7.144689
  H      -0.879222      0.518226      5.589489
  H      -1.016095      0.386852      7.369976
  H      -2.185126      4.860356      6.691826
  H      -1.105594      4.910725      5.279951
  H      -0.558860      3.063728      7.145128
  H      -0.520463      2.609889      5.417941
  H      -4.902951      2.793623      8.398822
  H      -4.084985      3.950127      7.336287
  H      -3.204292      1.138711      8.146833
  H      -2.325863      2.654903      8.432139
  C      -4.122994      5.260895     -1.053956
  C      -4.071544      4.329207      0.133608
  O      -3.230861      4.477412      1.019868
  C      -5.067828      3.219506      0.213086
  C      -6.157422      3.115092     -0.664461
  C      -7.049338      2.053431     -0.548547
  C      -6.837515      1.086861      0.428991
  F      -7.718389      0.071052      0.490041
  C      -5.770285      1.162012      1.344514
  C      -5.512875      0.087775      2.346123
  O      -5.900454     -1.070499      2.183659
  N      -4.732871      0.455042      3.445088
  C      -4.225989     -0.521464      4.222990
  C      -4.908365      2.251200      1.210205
  C      -7.206836      9.859472     -1.328937
  C      -6.832310      8.539161     -0.694911
  O      -7.024725      7.479112     -1.288533
  C      -6.209922      8.551024      0.661899
  C      -5.785422      9.732981      1.294504
  C      -5.172953      9.680011      2.542028
  C      -4.975320      8.444128      3.155709
  F      -4.398691      8.449224      4.374459
  C      -5.389954      7.240596      2.563705
  C      -5.209913      5.864757      3.128553
  O      -5.987976      4.965420      2.798752
  N      -4.099326      5.707426      3.955212
  C      -3.841054      4.467301      4.272302
  C      -6.023013      7.332592      1.321384
  C     -13.167832     -1.899944      3.633166
  C     -12.144792     -1.381014      4.622232
  O     -12.144894     -1.775676      5.786086
  C     -11.138592     -0.386728      4.146411
  C     -11.028726     -0.015213      2.795004
  C     -10.067073      0.905016      2.394473
  C      -9.204482      1.443848      3.345874
  F      -8.304574      2.356356      2.924479
  C      -9.279564      1.106632      4.704260
  C      -8.403926      1.685539      5.782050
  O      -8.915618      1.948852      6.879234
  N      -7.063517      1.794784      5.436331
  C      -6.291597      2.213010      6.421157
  C     -10.271788      0.197245      5.079213
  H      -5.016963      5.904850     -0.999342
  H      -3.231220      5.897201     -1.046486
  H      -4.183472      4.705716     -2.000600
  H      -6.324682      3.870955     -1.432373
  H      -7.911921      1.954334     -1.207766
  H      -4.406743     -1.592496      4.067906
  H      -4.056847      2.355257      1.879824
  H      -7.849561     10.453518     -0.662606
  H      -6.304400     10.459366     -1.525422
  H      -7.724245      9.668715     -2.275083
  H      -5.924957     10.701105      0.812767
  H      -4.842307     10.582701      3.056422
  H      -4.604559      3.673283      3.873369
  H      -6.377300      6.413112      0.855655
  H     -13.886674     -2.532760      4.164541
  H     -12.673825     -2.495726      2.849492
  H     -13.693723     -1.076104      3.129042
  H     -11.693894     -0.445550      2.046114
  H      -9.971106      1.213991      1.354227
  H      -6.741779      2.475002      7.395939
  H     -10.369951     -0.067802      6.132549
  N      -2.176952      1.835502      3.321541
  N      -1.336170      1.707433      2.579655
88
Coordinates from ORCA-job orca E -6723.624301158932
  N      -3.440916      0.014586      5.179586
  Mo     -3.620987      2.012867      4.706418
  N      -4.962185      2.312777      6.323294
  C      -4.278154      2.871019      7.489467
  C      -2.968724      2.129347      7.718511
  N      -2.199281      1.924494      6.435061
  C      -1.540154      0.572508      6.433399
  C      -2.605081     -0.504832      6.224806
  C      -1.164000      2.995044      6.237609
  C      -1.837054      4.308201      5.834427
  N      -2.926798      3.896540      4.987267
  H      -2.149693     -1.474234      5.970586
  H      -3.198965     -0.649152      7.144561
  H      -0.841255      0.565676      5.587610
  H      -0.974894      0.425142      7.367302
  H      -2.213469      4.877996      6.698895
  H      -1.127972      4.955038      5.293948
  H      -0.556522      3.106414      7.149882
  H      -0.512493      2.659627      5.421376
  H      -4.896381      2.780315      8.397469
  H      -4.094064      3.947012      7.334761
  H      -3.191745      1.138908      8.133066
  H      -2.325694      2.659007      8.437825
  C      -4.177560      5.243043     -1.028959
  C      -4.113399      4.316985      0.162102
  O      -3.260610      4.467638      1.036897
  C      -5.110016      3.208213      0.254319
  C      -6.210726      3.103665     -0.609054
  C      -7.106812      2.047495     -0.475407
  C      -6.889598      1.086697      0.506453
  F      -7.772109      0.074395      0.585780
  C      -5.809914      1.160599      1.406493
  C      -5.536944      0.084888      2.404925
  O      -5.949748     -1.067026      2.264078
  N      -4.728739      0.451104      3.480008
  C      -4.221029     -0.518436      4.263962
  C      -4.941182      2.241581      1.251891
  C      -7.198685      9.843022     -1.358017
  C      -6.852639      8.526813     -0.701055
  O      -7.092369      7.458588     -1.261384
  C      -6.198898      8.552264      0.641355
  C      -5.720511      9.733423      1.235124
  C      -5.077275      9.687978      2.467211
  C      -4.900720      8.460531      3.103463
  F      -4.289049      8.473212      4.304466
  C      -5.370247      7.258251      2.550970
  C      -5.214244      5.889468      3.138997
  O      -6.029358      5.007120      2.850966
  N      -4.096282      5.722928      3.952794
  C      -3.842821      4.478634      4.265305
  C      -6.034353      7.343610      1.324518
  C     -13.161522     -1.898902      3.510591
  C     -12.136637     -1.429585      4.521639
  O     -12.124218     -1.890719      5.660473
  C     -11.141813     -0.400373      4.096848
  C     -11.062207      0.070569      2.774691
  C     -10.108954      1.018632      2.422350
  C      -9.223871      1.484323      3.391297
  F      -8.321730      2.415445      3.014197
  C      -9.272498      1.052486      4.723232
  C      -8.381068      1.559437      5.824195
  O      -8.879467      1.758226      6.941194
  N      -7.053398      1.728107      5.458157
  C      -6.280900      2.169597      6.432749
  C     -10.256246      0.115972      5.051449
  H      -5.085621      5.867144     -0.985734
  H      -3.297692      5.895304     -1.021956
  H      -4.222037      4.681499     -1.972776
  H      -6.386639      3.856905     -1.377265
  H      -7.978076      1.949928     -1.122977
  H      -4.431698     -1.587073      4.129756
  H      -4.075155      2.340222      1.904212
  H      -7.808383     10.470700     -0.691905
  H      -6.281221     10.407801     -1.584723
  H      -7.741106      9.649284     -2.289237
  H      -5.841726     10.694681      0.735560
  H      -4.704866     10.590808      2.951565
  H      -4.601873      3.691299      3.866682
  H      -6.432508      6.426278      0.891932
  H     -13.867447     -2.573844      4.005892
  H     -12.666183     -2.436341      2.686930
  H     -13.703214     -1.051845      3.065626
  H     -11.743567     -0.303183      2.010550
  H     -10.033941      1.401780      1.405454
  H      -6.730216      2.424198      7.409973
  H     -10.333356     -0.224376      6.084422
  N      -2.159915      1.828542      3.323193
  N      -1.317045      1.695911      2.585861
88
Coordinates from ORCA-job orca E -6723.625660262946
  N      -3.419436      0.026875      5.188616
  Mo     -3.613683      2.020945      4.711423
  N      -4.964852      2.307845      6.323662
  C      -4.281793      2.869244      7.490106
  C      -2.968817      2.133193      7.715879
  N      -2.192536      1.941672      6.435801
  C      -1.520344      0.598444      6.432174
  C      -2.567973     -0.495379      6.220158
  C      -1.166319      3.022568      6.242946
  C      -1.849296      4.330756      5.841524
  N      -2.934328      3.911783      4.990967
  H      -2.086375     -1.444898      5.939336
  H      -3.148126     -0.677387      7.141375
  H      -0.821624      0.601408      5.586306
  H      -0.953113      0.452024      7.365273
  H      -2.234470      4.891675      6.707953
  H      -1.145481      4.988420      5.307757
  H      -0.559542      3.134737      7.155479
  H      -0.512624      2.695042      5.425086
  H      -4.897093      2.771076      8.399374
  H      -4.107166      3.946878      7.337735
  H      -3.191909      1.137878      8.119201
  H      -2.333006      2.658493      8.445109
  C      -4.265022      5.225320     -1.009411
  C      -4.184393      4.307254      0.186392
  O      -3.311281      4.454783      1.041485
  C      -5.190671      3.210425      0.305789
  C      -6.312155      3.113616     -0.531495
  C      -7.216937      2.068635     -0.370814
  C      -6.990283      1.112668      0.613809
  F      -7.881701      0.111704      0.721771
  C      -5.890089      1.179602      1.488846
  C      -5.604484      0.107624      2.489577
  O      -6.034653     -1.039916      2.369706
  N      -4.748493      0.468727      3.525796
  C      -4.232314     -0.501547      4.300681
  C      -5.010151      2.246243      1.303534
  C      -7.137542      9.835563     -1.407598
  C      -6.831844      8.525772     -0.718914
  O      -7.126849      7.452099     -1.241185
  C      -6.148098      8.564315      0.608409
  C      -5.607376      9.741481      1.154388
  C      -4.938368      9.705824      2.372733
  C      -4.796708      8.491741      3.042308
  F      -4.155497      8.515238      4.227238
  C      -5.328391      7.293673      2.538432
  C      -5.212904      5.936782      3.164108
  O      -6.059927      5.074621      2.908234
  N      -4.084617      5.751310      3.958446
  C      -3.843909      4.501319      4.263461
  C      -6.017524      7.370495      1.324982
  C     -13.093960     -1.970107      3.384242
  C     -12.066038     -1.539153      4.409247
  O     -12.016755     -2.079880      5.511458
  C     -11.112934     -0.449814      4.042175
  C     -11.087151      0.130474      2.761854
  C     -10.170017      1.130627      2.461974
  C      -9.265579      1.537736      3.439526
  F      -8.391426      2.512873      3.108973
  C      -9.264922      1.001288      4.733829
  C      -8.362017      1.453002      5.849779
  O      -8.831588      1.516308      6.995191
  N      -7.048498      1.683257      5.470770
  C      -6.278572      2.135295      6.443223
  C     -10.213128      0.012800      5.010861
  H      -5.180522      5.837991     -0.969838
  H      -3.390783      5.884894     -1.013828
  H      -4.308439      4.654735     -1.948439
  H      -6.497604      3.863091     -1.301069
  H      -8.102695      1.976824     -0.999259
  H      -4.476655     -1.565485      4.186652
  H      -4.122215      2.333234      1.928571
  H      -7.708408     10.505065     -0.747888
  H      -6.201875     10.355044     -1.665840
  H      -7.705164      9.639729     -2.323177
  H      -5.700533     10.691957      0.628949
  H      -4.518419     10.606677      2.820511
  H      -4.605287      3.726500      3.861929
  H      -6.464664      6.458153      0.931706
  H     -13.763971     -2.707663      3.838423
  H     -12.596247     -2.422638      2.512455
  H     -13.677192     -1.113285      3.017190
  H     -11.782303     -0.197394      1.989194
  H     -10.135716      1.597881      1.478341
  H      -6.728375      2.378766      7.423081
  H     -10.251352     -0.411714      6.014403
  N      -2.157599      1.818467      3.327682
  N      -1.309646      1.675621      2.592636
88
Coordinates from ORCA-job orca E -6723.626876506591
  N      -3.339701      0.040001      5.195014
  Mo     -3.579733      2.028504      4.723350
  N      -4.943362      2.277854      6.330803
  C      -4.273576      2.851670      7.499533
  C      -2.946962      2.141009      7.724484
  N      -2.159776      1.975237      6.448801
  C      -1.456548      0.650172      6.444140
  C      -2.473240     -0.470562      6.220436
  C      -1.157517      3.079330      6.264132
  C      -1.867473      4.372870      5.864496
  N      -2.940548      3.933848      5.008195
  H      -1.954431     -1.394183      5.919158
  H      -3.044664     -0.692718      7.137376
  H      -0.753595      0.671995      5.602182
  H      -0.890602      0.510846      7.379281
  H      -2.269092      4.919611      6.732769
  H      -1.177238      5.050132      5.338066
  H      -0.556221      3.199619      7.179116
  H      -0.495204      2.768462      5.446622
  H      -4.886124      2.736614      8.408787
  H      -4.124035      3.933429      7.349975
  H      -3.154789      1.137401      8.115634
  H      -2.327049      2.670819      8.464242
  C      -4.416370      5.208098     -0.972955
  C      -4.289694      4.284254      0.213518
  O      -3.401368      4.442081      1.050387
  C      -5.271790      3.168824      0.347907
  C      -6.405536      3.050678     -0.470026
  C      -7.282714      1.984374     -0.298755
  C      -7.020374      1.032261      0.681085
  F      -7.885487      0.010501      0.799190
  C      -5.910643      1.124020      1.541573
  C      -5.590251      0.065734      2.546925
  O      -6.007314     -1.088352      2.448266
  N      -4.707639      0.448239      3.551666
  C      -4.162894     -0.505427      4.326301
  C      -5.054709      2.206861      1.340059
  C      -7.122416      9.787692     -1.447723
  C      -6.840218      8.489747     -0.727451
  O      -7.167395      7.409999     -1.217135
  C      -6.136058      8.547220      0.588415
  C      -5.555195      9.724224      1.091524
  C      -4.868154      9.705141      2.299945
  C      -4.748288      8.507483      3.002363
  F      -4.086480      8.548555      4.175315
  C      -5.320359      7.310138      2.542287
  C      -5.228021      5.967617      3.203877
  O      -6.097395      5.118627      2.984055
  N      -4.091666      5.775038      3.982992
  C      -3.849534      4.522501      4.276443
  C      -6.026496      7.371249      1.337583
  C     -13.128813     -1.853727      3.212479
  C     -12.077461     -1.524514      4.251368
  O     -12.013030     -2.162149      5.299600
  C     -11.119893     -0.415581      3.963707
  C     -11.121822      0.286977      2.745748
  C     -10.197352      1.298966      2.517227
  C      -9.258134      1.595144      3.501743
  F      -8.368257      2.575828      3.234975
  C      -9.233144      0.939862      4.739534
  C      -8.301268      1.284107      5.869749
  O      -8.735213      1.216705      7.029209
  N      -7.008076      1.589991      5.481707
  C      -6.248937      2.057104      6.455817
  C     -10.187276     -0.059809      4.946215
  H      -5.355549      5.782429     -0.924553
  H      -3.567604      5.899798     -0.981541
  H      -4.444843      4.639752     -1.914419
  H      -6.619123      3.795297     -1.236815
  H      -8.173756      1.872444     -0.916127
  H      -4.404177     -1.571863      4.231833
  H      -4.155011      2.308324      1.946237
  H      -7.669180     10.487361     -0.799224
  H      -6.177339     10.276909     -1.729486
  H      -7.705240      9.582897     -2.351546
  H      -5.630666     10.661521      0.540608
  H      -4.417015     10.606707      2.714379
  H      -4.602646      3.750529      3.865402
  H      -6.503416      6.459935      0.978114
  H     -13.793517     -2.628378      3.608769
  H     -12.651644     -2.222207      2.291386
  H     -13.715706     -0.964253      2.941684
  H     -11.843632      0.045846      1.965852
  H     -10.181485      1.859135      1.582587
  H      -6.703927      2.280173      7.437925
  H     -10.205445     -0.577915      5.905311
  N      -2.120905      1.833160      3.344486
  N      -1.263893      1.693977      2.615265
88
Coordinates from ORCA-job orca E -6723.628195549273
  N      -3.254423      0.037551      5.229525
  Mo     -3.544764      2.010405      4.747774
  N      -4.906797      2.237049      6.354886
  C      -4.248947      2.832391      7.519967
  C      -2.907657      2.150206      7.743508
  N      -2.117335      1.998640      6.466756
  C      -1.380947      0.690438      6.469691
  C      -2.370418     -0.454926      6.248612
  C      -1.140021      3.123067      6.272363
  C      -1.877429      4.397360      5.865536
  N      -2.943936      3.932817      5.013655
  H      -1.825664     -1.360199      5.936203
  H      -2.930181     -0.699478      7.166474
  H      -0.677524      0.722979      5.628414
  H      -0.811981      0.569654      7.405851
  H      -2.288429      4.940963      6.731943
  H      -1.202823      5.086087      5.333665
  H      -0.539888      3.260145      7.185869
  H      -0.474052      2.817919      5.455613
  H      -4.855199      2.708123      8.432566
  H      -4.124650      3.916805      7.364318
  H      -3.094571      1.141446      8.132414
  H      -2.297379      2.690964      8.483681
  C      -4.523446      5.147210     -0.966531
  C      -4.363289      4.243523      0.231399
  O      -3.451245      4.411283      1.039243
  C      -5.340464      3.131585      0.413980
  C      -6.501079      3.004118     -0.364304
  C      -7.368586      1.936879     -0.155019
  C      -7.071180      0.994020      0.824313
  F      -7.928055     -0.029986      0.976207
  C      -5.934571      1.097069      1.648597
  C      -5.581394      0.050929      2.653827
  O      -6.016801     -1.099013      2.591400
  N      -4.655167      0.437175      3.619173
  C      -4.097410     -0.516644      4.385495
  C      -5.088743      2.180021      1.407795
  C      -7.202108      9.702030     -1.471358
  C      -6.917767      8.416564     -0.728299
  O      -7.270699      7.331309     -1.188137
  C      -6.181708      8.492330      0.568367
  C      -5.571837      9.672399      1.029024
  C      -4.855654      9.671874      2.220779
  C      -4.736123      8.489112      2.948590
  F      -4.044899      8.550208      4.103902
  C      -5.335428      7.289246      2.530900
  C      -5.245385      5.958710      3.219733
  O      -6.127140      5.116226      3.035190
  N      -4.100472      5.769010      3.986047
  C      -3.855917      4.517646      4.278712
  C      -6.070503      7.332934      1.342804
  C     -13.131302     -1.650228      2.952657
  C     -12.061267     -1.454084      4.007039
  O     -11.991104     -2.211495      4.972244
  C     -11.095196     -0.329376      3.837216
  C     -11.113807      0.518145      2.714816
  C     -10.179674      1.539410      2.589952
  C      -9.214340      1.700442      3.580775
  F      -8.312296      2.690230      3.411370
  C      -9.173896      0.899511      4.730029
  C      -8.214762      1.104864      5.871274
  O      -8.612971      0.881594      7.024463
  N      -6.943289      1.494859      5.495393
  C      -6.204309      1.970086      6.480460
  C     -10.136748     -0.107294      4.834309
  H      -5.471984      5.705918     -0.916635
  H      -3.685816      5.851825     -0.999930
  H      -4.554872      4.559709     -1.897000
  H      -6.740665      3.739678     -1.132625
  H      -8.277723      1.815306     -0.744067
  H      -4.344589     -1.582904      4.307800
  H      -4.166417      2.286739      1.979269
  H      -7.726300     10.422847     -0.826709
  H      -6.258706     10.175222     -1.786052
  H      -7.807951      9.484062     -2.357003
  H      -5.647094     10.597706      0.457705
  H      -4.381344     10.576350      2.602392
  H      -4.607040      3.744927      3.866334
  H      -6.568734      6.419756      1.017190
  H     -13.795049     -2.464250      3.262908
  H     -12.671416     -1.904604      1.985180
  H     -13.717568     -0.731784      2.801751
  H     -11.856721      0.383388      1.928657
  H     -10.175274      2.211158      1.731261
  H      -6.667344      2.171525      7.463234
  H     -10.141418     -0.738752      5.723448
  N      -2.090578      1.815861      3.371673
  N      -1.228684      1.675298      2.647537
88
Coordinates from ORCA-job orca E -6723.629450034327
  N      -3.169749      0.040708      5.260281
  Mo     -3.509915      2.002365      4.766246
  N      -4.875201      2.215858      6.365780
  C      -4.237295      2.831588      7.530487
  C      -2.883099      2.178129      7.763396
  N      -2.082566      2.036558      6.490759
  C      -1.315326      0.746038      6.509457
  C      -2.275461     -0.423083      6.284445
  C      -1.127647      3.178188      6.288135
  C      -1.887046      4.431735      5.863041
  N      -2.941125      3.938243      5.012144
  H      -1.705200     -1.313176      5.973478
  H      -2.833540     -0.682091      7.199543
  H      -0.603288      0.786866      5.675712
  H      -0.752950      0.645956      7.451930
  H      -2.310959      4.978187      6.721702
  H      -1.223893      5.127007      5.324886
  H      -0.535238      3.336806      7.203304
  H      -0.452398      2.874020      5.478780
  H      -4.844223      2.701717      8.442210
  H      -4.134551      3.917316      7.366839
  H      -3.051561      1.166353      8.152834
  H      -2.287069      2.732198      8.505462
  C      -4.681202      5.031735     -0.951398
  C      -4.484051      4.148289      0.256008
  O      -3.550742      4.330809      1.035741
  C      -5.442160      3.025480      0.478632
  C      -6.627139      2.876929     -0.259190
  C      -7.471677      1.798134     -0.015468
  C      -7.127833      0.862936      0.956911
  F      -7.964890     -0.172548      1.139344
  C      -5.963838      0.986350      1.739829
  C      -5.560077     -0.043332      2.740126
  O      -6.001414     -1.192864      2.726452
  N      -4.603042      0.373603      3.663261
  C      -4.015721     -0.550082      4.441666
  C      -5.143256      2.082155      1.466938
  C      -7.287721      9.714375     -1.433211
  C      -7.001124      8.428664     -0.690465
  O      -7.401685      7.349233     -1.124812
  C      -6.212694      8.496766      0.575098
  C      -5.557183      9.666128      0.999701
  C      -4.797279      9.660421      2.164472
  C      -4.680843      8.482627      2.901084
  F      -3.946767      8.539680      4.030402
  C      -5.322706      7.293449      2.517729
  C      -5.240381      5.967748      3.217714
  O      -6.147170      5.144759      3.073444
  N      -4.090082      5.769446      3.973927
  C      -3.850248      4.518475      4.268776
  C      -6.099654      7.342744      1.356987
  C     -13.117050     -1.454228      2.726482
  C     -12.041107     -1.356352      3.788731
  O     -11.980731     -2.186369      4.692951
  C     -11.058811     -0.236192      3.702545
  C     -11.074682      0.700005      2.652949
  C     -10.126260      1.714454      2.601582
  C      -9.150425      1.781647      3.593033
  F      -8.235583      2.766871      3.490816
  C      -9.112476      0.888913      4.674770
  C      -8.140642      0.993431      5.819811
  O      -8.505843      0.628089      6.947736
  N      -6.882437      1.439197      5.476860
  C      -6.166790      1.911713      6.478357
  C     -10.088244     -0.110045      4.704740
  H      -5.643275      5.566377     -0.900665
  H      -3.862507      5.757249     -1.004841
  H      -4.705487      4.426545     -1.871209
  H      -6.902487      3.604887     -1.023078
  H      -8.397927      1.660072     -0.573889
  H      -4.240173     -1.623443      4.396593
  H      -4.202411      2.202159      2.005681
  H      -7.769298     10.452766     -0.774745
  H      -6.348810     10.165086     -1.792217
  H      -7.934645      9.501753     -2.290916
  H      -5.631463     10.587431      0.421339
  H      -4.287021     10.556901      2.518184
  H      -4.597904      3.744517      3.853969
  H      -6.631315      6.438255      1.060593
  H     -13.788399     -2.284115      2.972225
  H     -12.663895     -1.631683      1.738678
  H     -13.694437     -0.520195      2.654972
  H     -11.827454      0.640290      1.866387
  H     -10.118280      2.454539      1.800687
  H      -6.645034      2.094554      7.457474
  H     -10.093288     -0.812440      5.539322
  N      -2.054414      1.806106      3.394960
  N      -1.187441      1.661470      2.678021
88
Coordinates from ORCA-job orca E -6723.630606838401
  N      -3.078296      0.043994      5.274199
  Mo     -3.483127      1.994190      4.777117
  N      -4.851098      2.185669      6.368587
  C      -4.237486      2.812084      7.538479
  C      -2.867564      2.192430      7.777561
  N      -2.058150      2.073876      6.506667
  C      -1.250784      0.806603      6.532933
  C      -2.172051     -0.391090      6.300002
  C      -1.133349      3.240244      6.301120
  C      -1.920810      4.469945      5.862448
  N      -2.957068      3.944942      5.008345
  H      -1.577749     -1.265567      5.990484
  H      -2.726649     -0.665687      7.213665
  H      -0.530988      0.868219      5.707191
  H      -0.695225      0.728282      7.480963
  H      -2.362101      5.013780      6.713820
  H      -1.271860      5.176793      5.321420
  H      -0.550755      3.421032      7.218608
  H      -0.445527      2.946068      5.498920
  H      -4.847025      2.667857      8.446482
  H      -4.157910      3.899856      7.376001
  H      -3.011069      1.175000      8.161843
  H      -2.286758      2.758035      8.522876
  C      -4.837821      4.916697     -0.944731
  C      -4.594769      4.052037      0.267920
  O      -3.627512      4.241988      1.003978
  C      -5.544189      2.931795      0.547516
  C      -6.756534      2.766782     -0.141911
  C      -7.584674      1.685955      0.146317
  C      -7.198188      0.762341      1.114017
  F      -8.022162     -0.275596      1.337931
  C      -6.004835      0.902339      1.848672
  C      -5.558821     -0.109673      2.845937
  O      -5.977922     -1.267298      2.857859
  N      -4.558128      0.326015      3.714200
  C      -3.928480     -0.577594      4.481668
  C      -5.202447      2.001946      1.534387
  C      -7.289055      9.753431     -1.424480
  C      -7.024602      8.465582     -0.676983
  O      -7.468560      7.396239     -1.093766
  C      -6.207362      8.518742      0.570131
  C      -5.514339      9.673761      0.974468
  C      -4.733679      9.656367      2.125421
  C      -4.634870      8.480833      2.868342
  F      -3.880043      8.527049      3.984704
  C      -5.312138      7.305816      2.503864
  C      -5.252087      5.984066      3.213460
  O      -6.169258      5.171694      3.068681
  N      -4.103009      5.770680      3.967277
  C      -3.864998      4.518210      4.258391
  C      -6.107363      7.366790      1.356228
  C     -13.097315     -1.318894      2.546727
  C     -12.010802     -1.299734      3.602513
  O     -11.941505     -2.194263      4.442060
  C     -11.028400     -0.176070      3.589346
  C     -11.063415      0.840855      2.618813
  C     -10.117258      1.858816      2.632536
  C      -9.124102      1.849434      3.609646
  F      -8.218919      2.845673      3.572577
  C      -9.064475      0.868850      4.613932
  C      -8.070374      0.875466      5.745083
  O      -8.397654      0.389528      6.838662
  N      -6.831518      1.389026      5.439506
  C      -6.137607      1.846626      6.460030
  C     -10.039505     -0.129900      4.580208
  H      -5.802222      5.444328     -0.873855
  H      -4.029092      5.650056     -1.032211
  H      -4.880349      4.295758     -1.853107
  H      -7.063874      3.484203     -0.903504
  H      -8.531051      1.536506     -0.373936
  H      -4.127439     -1.656601      4.460168
  H      -4.242618      2.131579      2.036764
  H      -7.736243     10.511400     -0.763855
  H      -6.346687     10.175839     -1.807796
  H      -7.959522      9.550744     -2.266385
  H      -5.576521     10.592911      0.391074
  H      -4.194184     10.541517      2.463892
  H      -4.604594      3.741745      3.838490
  H      -6.665468      6.473903      1.074694
  H     -13.761566     -2.169299      2.734050
  H     -12.655154     -1.414807      1.542640
  H     -13.679669     -0.385167      2.555484
  H     -11.831548      0.842527      1.844896
  H     -10.124342      2.662750      1.895769
  H      -6.628626      1.994538      7.438980
  H     -10.026607     -0.898576      5.354013
  N      -2.024582      1.824877      3.406766
  N      -1.154279      1.690128      2.695533
88
Coordinates from ORCA-job orca E -6723.624941687208
  N      -3.016357      0.039830      5.304640
  Mo     -3.474273      1.979033      4.778254
  N      -4.845961      2.170403      6.362125
  C      -4.249754      2.817878      7.529066
  C      -2.865790      2.228908      7.779985
  N      -2.049269      2.114856      6.513144
  C      -1.210033      0.865473      6.565146
  C      -2.104046     -0.358643      6.340196
  C      -1.147409      3.299618      6.293244
  C      -1.957958      4.506562      5.828852
  N      -2.983167      3.947951      4.977770
  H      -1.488877     -1.222674      6.045231
  H      -2.658124     -0.635086      7.252203
  H      -0.483280      0.931083      5.745853
  H      -0.659655      0.816803      7.521321
  H      -2.411835      5.058493      6.669281
  H      -1.320153      5.217162      5.278194
  H      -0.571949      3.508963      7.211558
  H      -0.449520      3.003633      5.500043
  H      -4.860496      2.671054      8.435904
  H      -4.189974      3.906279      7.356279
  H      -2.989123      1.210921      8.171237
  H      -2.296953      2.812354      8.521568
  C      -5.046401      4.788793     -0.957171
  C      -4.725425      3.940420      0.262422
  O      -3.708133      4.146423      0.964527
  C      -5.654765      2.809466      0.592795
  C      -6.901561      2.611937     -0.048050
  C      -7.691370      1.515441      0.279607
  C      -7.232159      0.607223      1.237496
  F      -8.017555     -0.448580      1.497974
  C      -6.004643      0.781596      1.924968
  C      -5.478800     -0.208329      2.913118
  O      -5.860672     -1.367790      2.959653
  N      -4.497117      0.254775      3.752851
  C      -3.852289     -0.614198      4.532869
  C      -5.244437      1.897993      1.574004
  C      -7.231468      9.889963     -1.390978
  C      -6.994120      8.587555     -0.659243
  O      -7.468040      7.538085     -1.081950
  C      -6.163477      8.602325      0.576152
  C      -5.441335      9.731806      0.986067
  C      -4.651709      9.679494      2.126349
  C      -4.574086      8.494665      2.853300
  F      -3.811355      8.508717      3.961113
  C      -5.281284      7.344114      2.483023
  C      -5.247742      6.014132      3.176828
  O      -6.187393      5.227482      3.036075
  N      -4.108645      5.771600      3.934510
  C      -3.891394      4.514177      4.224241
  C      -6.083196      7.440518      1.345892
  C     -13.067648     -1.263142      2.412403
  C     -11.981663     -1.298106      3.463011
  O     -11.911988     -2.242727      4.250035
  C     -11.004417     -0.151580      3.506946
  C     -11.047520      0.946830      2.590910
  C     -10.108745      1.987204      2.653069
  C      -9.116484      1.921926      3.624457
  F      -8.226460      2.956821      3.625773
  C      -9.046797      0.855168      4.578693
  C      -8.044662      0.785857      5.711281
  O      -8.335714      0.163371      6.777451
  N      -6.817004      1.363628      5.417200
  C      -6.128252      1.810717      6.445724
  C     -10.013004     -0.166907      4.496576
  H      -6.032352      5.292274     -0.845205
  H      -4.248761      5.540833     -1.078824
  H      -5.110640      4.159665     -1.875065
  H      -7.260695      3.314810     -0.803762
  H      -8.663602      1.340460     -0.201943
  H      -4.022639     -1.692559      4.538314
  H      -4.259897      2.053199      2.037653
  H      -7.657052     10.651686     -0.725111
  H      -6.282013     10.291125     -1.774680
  H      -7.911974      9.714864     -2.227807
  H      -5.487669     10.657551      0.415058
  H      -4.089479     10.543934      2.469103
  H      -4.624250      3.736110      3.799773
  H      -6.660508      6.567778      1.058053
  H     -13.727270     -2.137525      2.551656
  H     -12.622062     -1.290066      1.397512
  H     -13.658235     -0.331777      2.485691
  H     -11.816896      0.994561      1.822451
  H     -10.121179      2.854605      1.959264
  H      -6.622275      1.936494      7.428300
  H      -9.991654     -1.000761      5.229342
  N      -2.017612      1.815665      3.407048
  N      -1.146733      1.677177      2.699546
88
Coordinates from ORCA-job orca E -6723.626745442576
  N      -2.963182      0.023481      5.332086
  Mo     -3.466660      1.954009      4.775805
  N      -4.834866      2.145773      6.358036
  C      -4.247001      2.811564      7.518774
  C      -2.849457      2.251111      7.772992
  N      -2.033488      2.140739      6.504586
  C      -1.167790      0.906910      6.575298
  C      -2.038035     -0.342346      6.372024
  C      -1.152326      3.344142      6.263012
  C      -1.986523      4.531760      5.779261
  N      -3.007438      3.941036      4.939596
  H      -1.406079     -1.198207      6.090182
  H      -2.583903     -0.618879      7.290458
  H      -0.441973      0.977953      5.754606
  H      -0.614384      0.884572      7.535263
  H      -2.447413      5.090463      6.611790
  H      -1.362825      5.246988      5.215073
  H      -0.576468      3.580390      7.177345
  H      -0.450331      3.048667      5.472347
  H      -4.855714      2.663795      8.427253
  H      -4.201611      3.899989      7.336233
  H      -2.952904      1.233343      8.173958
  H      -2.287613      2.852485      8.506803
  C      -5.172583      4.692463     -0.895609
  C      -4.815378      3.847125      0.301977
  O      -3.808765      4.059836      0.955103
  C      -5.715753      2.713982      0.671124
  C      -6.963887      2.503483      0.075664
  C      -7.726180      1.402787      0.434475
  C      -7.235216      0.500742      1.375389
  F      -7.993974     -0.559129      1.666799
  C      -5.998316      0.686777      2.015616
  C      -5.422687     -0.297881      2.981383
  O      -5.795444     -1.457180      3.053525
  N      -4.453670      0.180928      3.792678
  C      -3.791606     -0.655803      4.578573
  C      -5.270397      1.808870      1.639568
  C      -7.262597      9.920579     -1.359695
  C      -7.031480      8.619307     -0.629618
  O      -7.532089      7.577135     -1.036908
  C      -6.171358      8.627699      0.586398
  C      -5.424516      9.746401      0.980062
  C      -4.611529      9.684840      2.103437
  C      -4.535722      8.502323      2.830149
  F      -3.752584      8.510532      3.923286
  C      -5.269293      7.361810      2.475993
  C      -5.250891      6.032368      3.166429
  O      -6.212532      5.266365      3.043227
  N      -4.114346      5.766418      3.914973
  C      -3.924757      4.500010      4.193778
  C      -6.091883      7.468215      1.354878
  C     -13.029119     -1.127310      2.238117
  C     -11.949872     -1.204691      3.294632
  O     -11.880642     -2.161178      4.031195
  C     -10.978806     -0.077313      3.406696
  C     -11.023882      1.031577      2.562331
  C     -10.090903      2.050794      2.687384
  C      -9.106058      1.958647      3.650858
  F      -8.237617      3.001482      3.701538
  C      -9.031654      0.879055      4.534557
  C      -8.028743      0.767084      5.658001
  O      -8.281940      0.086964      6.626682
  N      -6.809363      1.356639      5.404231
  C      -6.115562      1.777504      6.438009
  C      -9.989925     -0.128268      4.391744
  H      -6.146199      5.188706     -0.765096
  H      -4.401133      5.450920     -1.038216
  H      -5.246204      4.065377     -1.793316
  H      -7.347676      3.200851     -0.669038
  H      -8.704053      1.219784     -0.008593
  H      -3.938486     -1.731973      4.605478
  H      -4.282569      1.971285      2.069230
  H      -7.661281     10.689195     -0.688699
  H      -6.315654     10.307705     -1.764599
  H      -7.964252      9.750977     -2.180806
  H      -5.470072     10.670532      0.409101
  H      -4.029917     10.540963      2.434271
  H      -4.648289      3.722913      3.767220
  H      -6.684523      6.604188      1.075941
  H     -13.679351     -1.999988      2.323897
  H     -12.591762     -1.102472      1.233753
  H     -13.616485     -0.216155      2.351894
  H     -11.791134      1.103368      1.801211
  H     -10.102732      2.925407      2.049414
  H      -6.608095      1.888947      7.424753
  H      -9.964753     -0.972341      5.069065
  N      -2.025539      1.793227      3.384122
  N      -1.168661      1.646673      2.667037
88
Coordinates from ORCA-job orca E -6723.624363840131
  N      -2.948667      0.013401      5.332696
  Mo     -3.457662      1.947667      4.786453
  N      -4.828246      2.124018      6.369716
  C      -4.238314      2.779376      7.533028
  C      -2.842065      2.218297      7.781213
  N      -2.027854      2.118919      6.513117
  C      -1.163001      0.889136      6.574218
  C      -2.024729     -0.360468      6.367542
  C      -1.150126      3.323436      6.283697
  C      -1.985168      4.513346      5.812205
  N      -3.003142      3.930582      4.967886
  H      -1.386637     -1.212246      6.078888
  H      -2.567731     -0.647917      7.286548
  H      -0.438886      0.970552      5.753356
  H      -0.611870      0.857923      7.529590
  H      -2.448320      5.060836      6.648476
  H      -1.362746      5.234418      5.257880
  H      -0.577158      3.550465      7.197922
  H      -0.447077      3.040354      5.491293
  H      -4.847256      2.623870      8.439536
  H      -4.192626      3.867734      7.359307
  H      -2.946597      1.198680      8.174901
  H      -2.282704      2.814010      8.519156
  C      -5.022234      4.794486     -0.873744
  C      -4.696513      3.940278      0.308920
  O      -3.702713      4.157591      0.967825
  C      -5.616170      2.801420      0.642825
  C      -6.847359      2.613196      0.014309
  C      -7.649101      1.512136      0.338163
  C      -7.216629      0.589446      1.278179
  F      -8.013366     -0.469539      1.539389
  C      -5.999507      0.749381      1.951204
  C      -5.488171     -0.272646      2.915179
  O      -5.921454     -1.450355      2.942834
  N      -4.467108      0.196923      3.769076
  C      -3.787538     -0.665497      4.564350
  C      -5.222585      1.870347      1.608272
  C      -7.364064      9.778886     -1.401601
  C      -7.116534      8.492618     -0.637245
  O      -7.621389      7.423559     -1.008800
  C      -6.235063      8.548481      0.574640
  C      -5.483956      9.693311      0.933580
  C      -4.653751      9.668477      2.057191
  C      -4.562119      8.497861      2.818876
  F      -3.759877      8.542235      3.910572
  C      -5.298082      7.332138      2.498399
  C      -5.267329      6.012500      3.218929
  O      -6.225861      5.234616      3.101703
  N      -4.121310      5.759881      3.957844
  C      -3.924779      4.490858      4.225521
  C      -6.139547      7.402382      1.377404
  C     -13.082076     -1.065695      2.281763
  C     -12.000356     -1.146983      3.350856
  O     -11.930471     -2.138650      4.132050
  C     -11.011609     -0.039486      3.440240
  C     -11.043720      1.043024      2.569158
  C     -10.087773      2.025166      2.680845
  C      -9.091544      1.919000      3.663980
  F      -8.184351      2.896071      3.723846
  C      -9.036561      0.880670      4.563073
  C      -8.034477      0.776462      5.687191
  O      -8.314349      0.116255      6.713670
  N      -6.808456      1.341836      5.424758
  C      -6.109780      1.759451      6.453985
  C     -10.016850     -0.090996      4.433901
  H      -5.991926      5.294629     -0.770782
  H      -4.253730      5.558268     -0.996360
  H      -5.072623      4.164511     -1.760702
  H      -7.193657      3.328772     -0.728010
  H      -8.613276      1.349475     -0.130326
  H      -3.938096     -1.760743      4.575933
  H      -4.246621      2.013457      2.065270
  H      -7.758750     10.567512     -0.735089
  H      -6.423700     10.164073     -1.832111
  H      -8.077016      9.579168     -2.214565
  H      -5.540826     10.607774      0.336760
  H      -4.069425     10.545090      2.361760
  H      -4.640769      3.718703      3.796059
  H      -6.737971      6.519022      1.127459
  H     -13.743009     -1.928511      2.389439
  H     -12.640246     -1.072160      1.271867
  H     -13.664790     -0.131635      2.371714
  H     -11.817309      1.120538      1.796806
  H     -10.083035      2.873011      2.024528
  H      -6.598971      1.869110      7.442086
  H     -10.004549     -0.912276      5.129763
  N      -2.008043      1.800920      3.392913
  N      -1.146929      1.663624      2.673284
88
Coordinates from ORCA-job orca E -6723.623564083642
  N      -2.950402      0.015911      5.342899
  Mo     -3.454397      1.942730      4.789565
  N      -4.830817      2.125793      6.363559
  C      -4.251222      2.783677      7.529078
  C      -2.861665      2.220798      7.787122
  N      -2.040174      2.115052      6.524466
  C      -1.178508      0.886792      6.593936
  C      -2.038686     -0.353672      6.383666
  C      -1.162081      3.309761      6.300642
  C      -1.986973      4.496128      5.822042
  N      -2.997017      3.919243      4.970611
  H      -1.405051     -1.209595      6.102868
  H      -2.588493     -0.631170      7.298658
  H      -0.448607      0.962062      5.779446
  H      -0.638731      0.858234      7.549419
  H      -2.454817      5.047361      6.652759
  H      -1.357842      5.210059      5.271964
  H      -0.599233      3.535394      7.217283
  H      -0.454065      3.021526      5.516130
  H      -4.865639      2.631579      8.431540
  H      -4.203682      3.870051      7.353276
  H      -2.970301      1.204683      8.181849
  H      -2.306551      2.816360      8.526217
  C      -5.024074      4.787934     -0.923903
  C      -4.684489      3.943107      0.288035
  O      -3.634486      4.161566      0.972061
  C      -5.609056      2.805703      0.616699
  C      -6.854755      2.616172     -0.028220
  C      -7.656133      1.514993      0.284041
  C      -7.214276      0.592345      1.230927
  F      -8.017355     -0.468610      1.481646
  C      -5.990579      0.753743      1.921063
  C      -5.490910     -0.268034      2.891673
  O      -5.909565     -1.446777      2.902806
  N      -4.457537      0.202154      3.767838
  C      -3.783721     -0.667324      4.570801
  C      -5.210065      1.877589      1.587697
  C      -7.336386      9.845197     -1.396404
  C      -7.077628      8.547711     -0.653140
  O      -7.559251      7.488329     -1.053656
  C      -6.216471      8.580464      0.570941
  C      -5.489882      9.720203      0.961084
  C      -4.677489      9.677327      2.094419
  C      -4.580105      8.493577      2.835542
  F      -3.796838      8.519554      3.938667
  C      -5.290471      7.332861      2.485239
  C      -5.249786      6.003458      3.189560
  O      -6.193477      5.222923      3.046621
  N      -4.110632      5.751725      3.942650
  C      -3.913446      4.484850      4.218911
  C      -6.114831      7.420281      1.354246
  C     -13.095102     -1.135022      2.389734
  C     -12.009180     -1.190266      3.432839
  O     -11.959378     -2.102789      4.203531
  C     -11.014221     -0.080770      3.484771
  C     -11.048902      1.020987      2.574175
  C     -10.092237      2.030031      2.643853
  C      -9.094307      1.932655      3.621435
  F      -8.179222      2.911912      3.660453
  C      -9.033815      0.865940      4.561109
  C      -8.026661      0.773297      5.665764
  O      -8.311798      0.139040      6.691238
  N      -6.801398      1.334479      5.406196
  C      -6.113738      1.762499      6.438251
  C     -10.019181     -0.119159      4.465849
  H      -6.010669      5.283124     -0.820198
  H      -4.241648      5.553614     -1.049770
  H      -5.078408      4.152493     -1.834337
  H      -7.206495      3.330812     -0.775187
  H      -8.628161      1.352074     -0.196004
  H      -3.935662     -1.767378      4.582968
  H      -4.228404      2.023967      2.056918
  H      -7.752364     10.613917     -0.724566
  H      -6.399898     10.246773     -1.802178
  H      -8.033261      9.658096     -2.222935
  H      -5.551377     10.644983      0.380880
  H      -4.111691     10.549517      2.422819
  H      -4.628202      3.712675      3.783319
  H      -6.696315      6.539642      1.081443
  H     -13.766957     -1.985851      2.517355
  H     -12.647937     -1.162882      1.395019
  H     -13.676294     -0.206897      2.460091
  H     -11.824257      1.093037      1.806358
  H     -10.090092      2.896591      1.955809
  H      -6.607065      1.874321      7.420585
  H     -10.005216     -0.952897      5.188518
  N      -1.991431      1.791812      3.410841
  N      -1.120736      1.653662      2.695645
88
Coordinates from ORCA-job orca E -6723.625335683000
  N      -2.960671      0.031593      5.323786
  Mo     -3.461955      1.953388      4.768622
  N      -4.837112      2.139450      6.343749
  C      -4.258809      2.805747      7.507192
  C      -2.867571      2.248576      7.764154
  N      -2.046497      2.139080      6.498592
  C      -1.181911      0.911669      6.570025
  C      -2.043453     -0.331159      6.366163
  C      -1.171206      3.336806      6.266840
  C      -2.000754      4.518574      5.783863
  N      -3.010677      3.932749      4.936878
  H      -1.409868     -1.188027      6.086421
  H      -2.590619     -0.605739      7.284992
  H      -0.453780      0.983283      5.752327
  H      -0.638524      0.888494      7.526125
  H      -2.470047      5.073915      6.613318
  H      -1.373572      5.233261      5.227467
  H      -0.605782      3.569334      7.182410
  H      -0.462785      3.046856      5.480470
  H      -4.871058      2.654972      8.412336
  H      -4.215685      3.892789      7.326906
  H      -2.973314      1.233520      8.164068
  H      -2.312301      2.850224      8.500906
  C      -5.126167      4.710603     -0.882512
  C      -4.791177      3.855118      0.325427
  O      -3.788819      4.056467      1.005886
  C      -5.680232      2.721262      0.667835
  C      -6.921905      2.514189      0.048642
  C      -7.681337      1.415541      0.384224
  C      -7.198459      0.509561      1.327769
  F      -7.965809     -0.548510      1.600806
  C      -5.974205      0.691077      1.991150
  C      -5.432725     -0.295356      2.957035
  O      -5.766343     -1.439528      3.011948
  N      -4.447517      0.188820      3.780991
  C      -3.785757     -0.647782      4.566816
  C      -5.244131      1.812464      1.635304
  C      -7.234141      9.959696     -1.366590
  C      -7.003435      8.651932     -0.647174
  O      -7.492945      7.615800     -1.067915
  C      -6.159552      8.647754      0.577207
  C      -5.424252      9.763167      0.987588
  C      -4.627358      9.690461      2.116434
  C      -4.555994      8.500447      2.831815
  F      -3.787178      8.495866      3.930215
  C      -5.276121      7.363787      2.463444
  C      -5.256317      6.029969      3.151786
  O      -6.206910      5.262024      3.000493
  N      -4.120250      5.764839      3.905747
  C      -3.928628      4.496986      4.184036
  C      -6.084461      7.479827      1.336214
  C     -13.084551     -1.170921      2.338482
  C     -11.993415     -1.242072      3.383566
  O     -11.920804     -2.217528      4.152045
  C     -11.008889     -0.111037      3.454232
  C     -11.053917      1.007232      2.567446
  C     -10.108913      2.041735      2.650755
  C      -9.115227      1.959717      3.610082
  F      -8.220626      2.982870      3.646709
  C      -9.036893      0.861170      4.538492
  C      -8.022813      0.755765      5.644814
  O      -8.291902      0.099619      6.658114
  N      -6.806005      1.342062      5.386070
  C      -6.120310      1.769981      6.419717
  C     -10.012180     -0.150429      4.429888
  H      -6.100996      5.196737     -0.772742
  H      -4.355154      5.474005     -1.008016
  H      -5.180459      4.094550     -1.793436
  H      -7.302452      3.216646     -0.694353
  H      -8.656267      1.237603     -0.071588
  H      -3.932633     -1.724415      4.586876
  H      -4.264149      1.973658      2.083172
  H      -7.644728     10.719872     -0.691340
  H      -6.283866     10.352034     -1.756857
  H      -7.923415      9.797922     -2.196577
  H      -5.465936     10.694229      0.425125
  H      -4.053099     10.544660      2.460649
  H      -4.644778      3.724171      3.750146
  H      -6.674459      6.616856      1.047390
  H     -13.745769     -2.046795      2.455382
  H     -12.644453     -1.170747      1.317387
  H     -13.673848     -0.238033      2.443161
  H     -11.828210      1.073076      1.808731
  H     -10.120350      2.919420      1.978479
  H      -6.613367      1.875909      7.403367
  H      -9.985691     -0.998401      5.137111
  N      -2.005144      1.800405      3.385961
  N      -1.144584      1.662455      2.668759
88
Coordinates from ORCA-job orca E -6723.626504220047
  N      -2.948288      0.025762      5.322723
  Mo     -3.457293      1.951375      4.770795
  N      -4.832433      2.130875      6.348974
  C      -4.249630      2.795252      7.513481
  C      -2.854501      2.239864      7.766384
  N      -2.038137      2.135959      6.497984
  C      -1.169386      0.909686      6.564588
  C      -2.027836     -0.341474      6.362650
  C      -1.165645      3.342783      6.268120
  C      -2.004473      4.526410      5.790584
  N      -3.015826      3.936289      4.943298
  H      -1.389688     -1.193900      6.079178
  H      -2.569948     -0.623393      7.281922
  H      -0.444960      0.988363      5.743812
  H      -0.619882      0.885108      7.523094
  H      -2.474602      5.076325      6.623651
  H      -1.382074      5.248559      5.235346
  H      -0.597462      3.575636      7.185363
  H      -0.457312      3.060918      5.478048
  H      -4.860395      2.641137      8.419705
  H      -4.208389      3.884173      7.335414
  H      -2.957282      1.221716      8.165285
  H      -2.298431      2.842062      8.503468
  C      -5.061201      4.749417     -0.868330
  C      -4.725411      3.888838      0.317317
  O      -3.732026      4.097086      0.977089
  C      -5.635192      2.745768      0.657154
  C      -6.887265      2.541919      0.043473
  C      -7.672455      1.437392      0.380733
  C      -7.200667      0.526590      1.320837
  F      -7.984238     -0.533020      1.598278
  C      -5.965114      0.704530      1.980794
  C      -5.435068     -0.292425      2.952791
  O      -5.817774     -1.455687      3.004342
  N      -4.445721      0.195710      3.777226
  C      -3.777932     -0.649989      4.562298
  C      -5.209079      1.827032      1.621144
  C      -7.305963      9.852745     -1.369722
  C      -7.073882      8.560054     -0.627932
  O      -7.583980      7.506228     -1.016820
  C      -6.203053      8.591060      0.584286
  C      -5.448659      9.720385      0.962314
  C      -4.629570      9.674828      2.083097
  C      -4.553413      8.499672      2.821456
  F      -3.759900      8.523070      3.909743
  C      -5.292166      7.349383      2.483084
  C      -5.273624      6.025934      3.190125
  O      -6.232064      5.250108      3.055421
  N      -4.128708      5.768080      3.929972
  C      -3.938267      4.497538      4.196971
  C      -6.122512      7.439717      1.364515
  C     -13.100357     -1.085927      2.276195
  C     -12.013619     -1.159663      3.330067
  O     -11.953486     -2.123793      4.085328
  C     -11.020737     -0.052721      3.430259
  C     -11.049980      1.020448      2.591904
  C     -10.093981      2.014414      2.706375
  C      -9.097575      1.920133      3.665407
  F      -8.195022      2.923670      3.721284
  C      -9.037706      0.873966      4.543604
  C      -8.025031      0.754502      5.656855
  O      -8.306098      0.085142      6.690580
  N      -6.804784      1.342726      5.395973
  C      -6.114229      1.763581      6.429234
  C     -10.021501     -0.104899      4.408957
  H      -6.043327      5.245864     -0.748890
  H      -4.284172      5.517907     -0.990528
  H      -5.121262      4.123660     -1.776367
  H      -7.261318      3.250148     -0.696040
  H      -8.655188      1.262187     -0.071163
  H      -3.923276     -1.732056      4.574747
  H      -4.219599      1.985331      2.065892
  H      -7.698266     10.630100     -0.696579
  H      -6.355886     10.235570     -1.787736
  H      -8.013605      9.671323     -2.186101
  H      -5.494549     10.639359      0.381812
  H      -4.041358     10.539551      2.402803
  H      -4.652031      3.728416      3.763159
  H      -6.727154      6.568493      1.101226
  H     -13.763815     -1.946582      2.371943
  H     -12.662321     -1.080814      1.280078
  H     -13.680044     -0.174245      2.373333
  H     -11.826063      1.097798      1.832533
  H     -10.096099      2.866570      2.062307
  H      -6.605404      1.864282      7.416723
  H     -10.004135     -0.932113      5.089448
  N      -1.999860      1.804678      3.383204
  N      -1.138714      1.671364      2.666081
88
Coordinates from ORCA-job orca E -6723.623287842005
  N      -2.939404      0.010585      5.354404
  Mo     -3.458608      1.931793      4.786731
  N      -4.827722      2.117673      6.366054
  C      -4.243004      2.787009      7.525132
  C      -2.845293      2.235440      7.779259
  N      -2.033626      2.126550      6.510917
  C      -1.161100      0.904799      6.584335
  C      -2.015862     -0.347669      6.393732
  C      -1.164329      3.331212      6.272275
  C      -2.004770      4.510284      5.789880
  N      -3.017228      3.916920      4.947468
  H      -1.377899     -1.200253      6.116089
  H      -2.554074     -0.623001      7.316035
  H      -0.439280      0.980998      5.762425
  H      -0.610257      0.888064      7.540986
  H      -2.472137      5.063659      6.619568
  H      -1.384961      5.228174      5.230276
  H      -0.594947      3.569726      7.186233
  H      -0.458501      3.046271      5.483846
  H      -4.851625      2.636667      8.432236
  H      -4.203911      3.874072      7.340951
  H      -2.943963      1.220024      8.183907
  H      -2.289099      2.841576      8.510210
  C      -5.071225      4.757816     -0.884581
  C      -4.720541      3.908249      0.301220
  O      -3.694995      4.128857      0.945655
  C      -5.633949      2.768445      0.648526
  C      -6.874952      2.578533      0.028027
  C      -7.672858      1.475649      0.357518
  C      -7.224015      0.555253      1.296749
  F      -8.015507     -0.503637      1.567370
  C      -5.998061      0.717794      1.963983
  C      -5.489981     -0.303235      2.937638
  O      -5.932213     -1.500490      2.955389
  N      -4.460790      0.179779      3.790747
  C      -3.778918     -0.678496      4.592639
  C      -5.225049      1.840181      1.613037
  C      -7.335012      9.847197     -1.385473
  C      -7.091969      8.551935     -0.638144
  O      -7.600825      7.489418     -1.024064
  C      -6.213589      8.588914      0.576957
  C      -5.461214      9.726605      0.953255
  C      -4.634038      9.684385      2.079763
  C      -4.547378      8.504276      2.827088
  F      -3.745935      8.532653      3.921685
  C      -5.284821      7.344945      2.489218
  C      -5.261364      6.017570      3.197281
  O      -6.219124      5.240837      3.061743
  N      -4.118702      5.752721      3.937119
  C      -3.939203      4.480199      4.203517
  C      -6.122510      7.433306      1.364972
  C     -13.061695     -1.092510      2.287116
  C     -11.975892     -1.179279      3.350881
  O     -11.902295     -2.155414      4.118429
  C     -10.998628     -0.057002      3.438155
  C     -11.046014      1.060041      2.560183
  C     -10.102546      2.058548      2.669257
  C      -9.104797      1.943115      3.653794
  F      -8.216203      2.944083      3.713039
  C      -9.032798      0.870382      4.556023
  C      -8.026662      0.755217      5.668206
  O      -8.304837      0.125905      6.644066
  N      -6.802299      1.328636      5.418114
  C      -6.108599      1.751517      6.448502
  C     -10.001063     -0.117471      4.431875
  H      -6.046447      5.254394     -0.765287
  H      -4.303000      5.523298     -1.021923
  H      -5.137197      4.127648     -1.777906
  H      -7.232407      3.292531     -0.712548
  H      -8.642027      1.313273     -0.101122
  H      -3.925584     -1.776530      4.611274
  H      -4.242751      1.987732      2.063981
  H      -7.729118     10.625682     -0.711311
  H      -6.393257     10.233715     -1.805960
  H      -8.046352      9.661982     -2.202732
  H      -5.514484     10.647690      0.368448
  H      -4.048936     10.554018      2.397353
  H      -4.655145      3.714764      3.771693
  H      -6.723658      6.557666      1.102629
  H     -13.715967     -1.963626      2.390765
  H     -12.614290     -1.083619      1.268741
  H     -13.657996     -0.158224      2.388240
  H     -11.819738      1.144846      1.788498
  H     -10.108821      2.928566      2.008963
  H      -6.597453      1.857049      7.435082
  H      -9.976407     -0.960348      5.128301
  N      -2.002694      1.779715      3.395275
  N      -1.141937      1.641596      2.669555
88
Coordinates from ORCA-job orca E -6723.625323958355
  N      -2.924364      0.019269      5.350155
  Mo     -3.448878      1.931168      4.778230
  N      -4.830815      2.112096      6.345866
  C      -4.260952      2.786100      7.508597
  C      -2.863708      2.245365      7.772126
  N      -2.039053      2.139642      6.509910
  C      -1.159310      0.923705      6.590659
  C      -2.005765     -0.329254      6.395868
  C      -1.177172      3.346106      6.274652
  C      -2.018769      4.516255      5.783412
  N      -3.020466      3.916971      4.936094
  H      -1.360894     -1.180150      6.121723
  H      -2.549643     -0.605868      7.315567
  H      -0.431626      0.999662      5.773289
  H      -0.616726      0.912448      7.546493
  H      -2.496240      5.070222      6.607615
  H      -1.398358      5.234840      5.226521
  H      -0.617085      3.589592      7.189874
  H      -0.463850      3.061627      5.492509
  H      -4.874874      2.632301      8.411228
  H      -4.228203      3.872277      7.324985
  H      -2.959102      1.231115      8.176243
  H      -2.317946      2.856356      8.506673
  C      -5.170521      4.701026     -0.895093
  C      -4.794223      3.854911      0.309326
  O      -3.745832      4.075599      0.965942
  C      -5.679913      2.717883      0.668364
  C      -6.919291      2.518603      0.060849
  C      -7.679382      1.418184      0.396722
  C      -7.196434      0.504389      1.330342
  F      -7.961274     -0.556102      1.606115
  C      -5.972497      0.677214      1.984238
  C      -5.428022     -0.322391      2.948832
  O      -5.794726     -1.498069      2.985040
  N      -4.425309      0.166955      3.789729
  C      -3.749669     -0.673389      4.590538
  C      -5.239600      1.800666      1.626948
  C      -7.245846      9.964930     -1.385178
  C      -7.014524      8.654824     -0.660976
  O      -7.503492      7.616729     -1.082722
  C      -6.170308      8.650017      0.569543
  C      -5.435882      9.767565      0.981757
  C      -4.635948      9.693714      2.117019
  C      -4.560428      8.498695      2.838163
  F      -3.786410      8.493837      3.941648
  C      -5.280727      7.359185      2.467957
  C      -5.258238      6.022999      3.155624
  O      -6.205134      5.254209      3.000330
  N      -4.123400      5.751497      3.909459
  C      -3.940172      4.480329      4.182662
  C      -6.092470      7.477571      1.334483
  C     -13.078972     -1.134748      2.324899
  C     -11.991017     -1.209269      3.369354
  O     -11.922652     -2.146812      4.116656
  C     -11.008976     -0.088963      3.447806
  C     -11.061818      1.055047      2.552318
  C     -10.116655      2.076872      2.648216
  C      -9.118869      1.974966      3.615040
  F      -8.228057      2.981228      3.668715
  C      -9.035740      0.861617      4.539130
  C      -8.015804      0.732712      5.643892
  O      -8.281623      0.038688      6.677016
  N      -6.800176      1.323657      5.382336
  C      -6.112987      1.739190      6.419895
  C     -10.008152     -0.140574      4.423329
  H      -6.141901      5.183092     -0.767686
  H      -4.410481      5.464681     -1.043479
  H      -5.244711      4.082590     -1.797589
  H      -7.300019      3.225639     -0.676600
  H      -8.650607      1.247769     -0.050517
  H      -3.888057     -1.759650      4.614582
  H      -4.258522      1.954674      2.065372
  H      -7.659545     10.725556     -0.710197
  H      -6.298082     10.357009     -1.770895
  H      -7.933859      9.804024     -2.219968
  H      -5.478850     10.701096      0.417056
  H      -4.063156     10.548704      2.461819
  H      -4.650780      3.711024      3.743921
  H      -6.681588      6.615085      1.045039
  H     -13.741297     -1.998895      2.426879
  H     -12.640612     -1.129976      1.316319
  H     -13.664005     -0.207315      2.428855
  H     -11.837152      1.128052      1.794889
  H     -10.125501      2.955610      1.984724
  H      -6.605315      1.838020      7.404803
  H      -9.978725     -0.989534      5.121188
  N      -1.987586      1.784334      3.395679
  N      -1.125011      1.651188      2.670680
88
Coordinates from ORCA-job orca E -6723.625919835165
  N      -2.922032      0.029919      5.321215
  Mo     -3.450433      1.944857      4.760637
  N      -4.838196      2.113057      6.326788
  C      -4.274383      2.786435      7.493924
  C      -2.874930      2.250672      7.758012
  N      -2.047484      2.153494      6.494876
  C      -1.162081      0.939849      6.570833
  C      -2.003702     -0.321206      6.366983
  C      -1.190779      3.369257      6.268141
  C      -2.040652      4.537970      5.781170
  N      -3.037096      3.934004      4.927591
  H      -1.353467     -1.168640      6.089396
  H      -2.549593     -0.606561      7.284756
  H      -0.432986      1.024541      5.754194
  H      -0.620271      0.926821      7.529926
  H      -2.524733      5.085097      6.608327
  H      -1.422784      5.265635      5.228856
  H      -0.633903      3.612076      7.187315
  H      -0.472343      3.094244      5.484753
  H      -4.890810      2.626455      8.395159
  H      -4.246211      3.874565      7.313788
  H      -2.966872      1.233307      8.158991
  H      -2.332276      2.862544      8.496664
  C      -5.101235      4.719982     -0.862725
  C      -4.751382      3.850144      0.326509
  O      -3.735224      4.056321      1.000564
  C      -5.654244      2.697373      0.662099
  C      -6.918851      2.477741      0.052595
  C      -7.689756      1.365104      0.392812
  C      -7.194796      0.458682      1.331159
  F      -7.972345     -0.608483      1.613678
  C      -5.947535      0.652866      1.984570
  C      -5.387280     -0.323435      2.954203
  O      -5.702741     -1.467169      3.018715
  N      -4.413003      0.178907      3.772780
  C      -3.739734     -0.655966      4.561025
  C      -5.207377      1.784143      1.621425
  C      -7.225812      9.963602     -1.364618
  C      -7.016003      8.655211     -0.637658
  O      -7.526869      7.620713     -1.046511
  C      -6.165488      8.650519      0.582819
  C      -5.410747      9.761183      0.983949
  C      -4.610272      9.686031      2.109178
  C      -4.554015      8.498105      2.829302
  F      -3.777032      8.491457      3.922151
  C      -5.292971      7.366110      2.469601
  C      -5.288304      6.034485      3.162871
  O      -6.243995      5.269589      3.007915
  N      -4.149717      5.764356      3.910486
  C      -3.959578      4.492901      4.175136
  C      -6.104973      7.484927      1.346400
  C     -13.136499     -1.112455      2.337397
  C     -12.040819     -1.193474      3.377682
  O     -11.976827     -2.176874      4.143723
  C     -11.040456     -0.079181      3.451533
  C     -11.071812      1.009360      2.594041
  C     -10.106182      2.015407      2.684281
  C      -9.101641      1.919166      3.632667
  F      -8.188695      2.922678      3.674605
  C      -9.040675      0.858836      4.524016
  C      -8.016446      0.737341      5.613954
  O      -8.287697      0.083444      6.638429
  N      -6.805041      1.317577      5.360208
  C      -6.120170      1.736142      6.397958
  C     -10.035072     -0.126955      4.410490
  H      -6.093176      5.209440     -0.733149
  H      -4.321164      5.495641     -0.977945
  H      -5.160886      4.102938     -1.790227
  H      -7.309268      3.182739     -0.683723
  H      -8.683584      1.178789     -0.052322
  H      -3.872426     -1.739452      4.573610
  H      -4.211026      1.955088      2.060882
  H      -7.621296     10.737018     -0.688315
  H      -6.267838     10.339776     -1.762174
  H      -7.920746      9.804996     -2.191603
  H      -5.440600     10.690728      0.417366
  H      -4.020689     10.536484      2.447097
  H      -4.665387      3.722809      3.730957
  H      -6.711603      6.626789      1.065287
  H     -13.806440     -1.978063      2.449796
  H     -12.702510     -1.114220      1.327327
  H     -13.715117     -0.184184      2.442294
  H     -11.856290      1.089864      1.841958
  H     -10.112340      2.884221      2.021022
  H      -6.614842      1.831091      7.382839
  H     -10.011994     -0.967780      5.105418
  N      -1.983143      1.811593      3.382779
  N      -1.120635      1.688709      2.666554
88
Coordinates from ORCA-job orca E -6723.622322117090
  N      -2.942430      0.013427      5.345887
  Mo     -3.467759      1.931411      4.772880
  N      -4.828689      2.121524      6.356628
  C      -4.240565      2.796976      7.511097
  C      -2.839769      2.252249      7.759637
  N      -2.035868      2.140427      6.486003
  C      -1.159172      0.923252      6.560187
  C      -2.010431     -0.334671      6.382223
  C      -1.173195      3.348311      6.236336
  C      -2.021166      4.521136      5.751560
  N      -3.035521      3.918985      4.916986
  H      -1.372337     -1.186176      6.106344
  H      -2.540774     -0.606220      7.310141
  H      -0.443736      0.997992      5.732976
  H      -0.602747      0.913619      7.514794
  H      -2.486478      5.077210      6.580574
  H      -1.407296      5.239324      5.184609
  H      -0.599761      3.594018      7.146621
  H      -0.469916      3.063547      5.444620
  H      -4.844127      2.647316      8.422323
  H      -4.207030      3.883527      7.322370
  H      -2.932610      1.238678      8.170682
  H      -2.281588      2.864475      8.484757
  C      -5.054760      4.729566     -0.819165
  C      -4.741696      3.860948      0.348083
  O      -3.792133      4.052749      0.991353
  C      -5.647023      2.727920      0.682766
  C      -6.886330      2.536381      0.063434
  C      -7.678787      1.437219      0.399249
  C      -7.229557      0.520434      1.340042
  F      -8.016296     -0.531902      1.617447
  C      -6.003491      0.684313      2.001816
  C      -5.488517     -0.326272      2.973311
  O      -5.902830     -1.504267      3.007221
  N      -4.468036      0.162546      3.801778
  C      -3.782685     -0.680291      4.599162
  C      -5.237908      1.801965      1.647012
  C      -7.316033      9.881616     -1.375007
  C      -7.088064      8.584204     -0.630579
  O      -7.612301      7.527136     -1.012984
  C      -6.204928      8.613769      0.580616
  C      -5.438039      9.743163      0.956970
  C      -4.608536      9.691260      2.077202
  C      -4.533548      8.512037      2.816948
  F      -3.727996      8.531128      3.904834
  C      -5.285904      7.361232      2.479242
  C      -5.275451      6.032163      3.181860
  O      -6.248113      5.263100      3.049394
  N      -4.130882      5.758939      3.915698
  C      -3.962255      4.483606      4.178840
  C      -6.125292      7.458942      1.361662
  C     -13.050012     -1.089600      2.235499
  C     -11.973800     -1.175335      3.301264
  O     -11.914249     -2.150625      4.054111
  C     -10.994788     -0.053180      3.413015
  C     -11.031663      1.047170      2.577067
  C     -10.090693      2.056431      2.702778
  C      -9.101312      1.943823      3.682001
  F      -8.212217      2.953607      3.763650
  C      -9.032871      0.870404      4.553606
  C      -8.030860      0.742464      5.664709
  O      -8.317472      0.069304      6.662608
  N      -6.805022      1.337510      5.412707
  C      -6.108410      1.754310      6.442879
  C     -10.003276     -0.121591      4.406854
  H      -6.021513      5.231808     -0.716021
  H      -4.288299      5.492795     -0.932970
  H      -5.103766      4.111515     -1.711719
  H      -7.246551      3.249603     -0.675463
  H      -8.650789      1.276176     -0.052716
  H      -3.925900     -1.775119      4.625281
  H      -4.257119      1.950649      2.095903
  H      -7.698828     10.663459     -0.697382
  H      -6.367438     10.258352     -1.798638
  H      -8.031755      9.704457     -2.190342
  H      -5.482869     10.664902      0.375759
  H      -4.011306     10.554863      2.395641
  H      -4.680893      3.723579      3.749737
  H      -6.737726      6.589054      1.097789
  H     -13.703945     -1.961006      2.321219
  H     -12.599333     -1.067972      1.234805
  H     -13.641674     -0.175755      2.339940
  H     -11.800860      1.138179      1.804109
  H     -10.095589      2.932660      2.055973
  H      -6.593658      1.849844      7.433100
  H      -9.980760     -0.976209      5.088743
  N      -2.022446      1.775950      3.368552
  N      -1.180310      1.639397      2.636941
88
Coordinates from ORCA-job orca E -6723.624729782279
  N      -2.913234      0.008544      5.376244
  Mo     -3.444662      1.914942      4.787062
  N      -4.821064      2.109189      6.356329
  C      -4.247669      2.792718      7.513236
  C      -2.847720      2.256296      7.777241
  N      -2.029869      2.141551      6.512860
  C      -1.146206      0.928719      6.600989
  C      -1.990159     -0.329236      6.421293
  C      -1.172127      3.349607      6.264770
  C      -2.019185      4.514468      5.765614
  N      -3.022757      3.905741      4.924074
  H      -1.346615     -1.179811      6.153371
  H      -2.527540     -0.597636      7.344014
  H      -0.423410      0.999779      5.780296
  H      -0.598498      0.927731      7.557595
  H      -2.495074      5.074307      6.586650
  H      -1.402677      5.230210      5.201272
  H      -0.609361      3.602893      7.177987
  H      -0.460586      3.061184      5.482831
  H      -4.858459      2.644918      8.418926
  H      -4.217588      3.878113      7.320507
  H      -2.938729      1.245103      8.191214
  H      -2.300195      2.875002      8.503817
  C      -5.199477      4.683630     -0.894480
  C      -4.794423      3.844266      0.302385
  O      -3.708846      4.071924      0.929489
  C      -5.679739      2.707508      0.677895
  C      -6.925899      2.511780      0.079506
  C      -7.690072      1.411048      0.421049
  C      -7.206829      0.498073      1.354116
  F      -7.973054     -0.560417      1.640809
  C      -5.979067      0.666417      2.002054
  C      -5.448520     -0.345913      2.973621
  O      -5.870192     -1.554538      2.988079
  N      -4.424306      0.145812      3.819372
  C      -3.743559     -0.692345      4.625846
  C      -5.235573      1.788009      1.636643
  C      -7.304845      9.930146     -1.364694
  C      -7.066587      8.624344     -0.640410
  O      -7.573907      7.575571     -1.050481
  C      -6.195917      8.632771      0.578462
  C      -5.448196      9.758035      0.978729
  C      -4.625964      9.692740      2.106781
  C      -4.540420      8.501505      2.831437
  F      -3.744120      8.507537      3.927836
  C      -5.274147      7.353726      2.470590
  C      -5.250295      6.017218      3.157507
  O      -6.205837      5.244442      3.011616
  N      -4.113350      5.742736      3.903413
  C      -3.943631      4.469520      4.174076
  C      -6.106714      7.465435      1.345019
  C     -13.049200     -1.062697      2.231869
  C     -11.966789     -1.157210      3.292298
  O     -11.889713     -2.134530      4.034354
  C     -10.991125     -0.041041      3.406183
  C     -11.039806      1.088112      2.550598
  C     -10.103817      2.091943      2.678333
  C      -9.111073      1.978933      3.651775
  F      -8.231716      2.983102      3.734592
  C      -9.027437      0.874548      4.540646
  C      -8.011546      0.733075      5.646251
  O      -8.278525      0.057221      6.629003
  N      -6.791477      1.327080      5.396923
  C      -6.100982      1.740899      6.433614
  C      -9.991880     -0.112821      4.395939
  H      -6.172428      5.166686     -0.745446
  H      -4.439110      5.448833     -1.063672
  H      -5.295191      4.058849     -1.794263
  H      -7.308660      3.218911     -0.657260
  H      -8.664264      1.244324     -0.019174
  H      -3.880752     -1.780836      4.658917
  H      -4.249894      1.939964      2.069382
  H      -7.702775     10.693350     -0.683416
  H      -6.361386     10.320435     -1.770026
  H      -8.011148      9.763878     -2.187937
  H      -5.499986     10.687629      0.411925
  H      -4.044467     10.552363      2.442034
  H      -4.657395      3.705442      3.738448
  H      -6.705506      6.599341      1.065107
  H     -13.701207     -1.936652      2.312145
  H     -12.603865     -1.031561      1.219226
  H     -13.643554     -0.138776      2.350947
  H     -11.809376      1.171570      1.788062
  H     -10.109747      2.958038      2.044479
  H      -6.590687      1.839238      7.419484
  H      -9.964451     -0.956722      5.066728
  N      -1.986064      1.756975      3.399264
  N      -1.126459      1.616609      2.667645
88
Coordinates from ORCA-job orca E -6723.627064631345
  N      -2.908007      0.027073      5.320124
  Mo     -3.449270      1.937446      4.754275
  N      -4.841688      2.097680      6.317620
  C      -4.283332      2.773873      7.485170
  C      -2.880353      2.249658      7.750899
  N      -2.050454      2.158180      6.488743
  C      -1.155445      0.952505      6.568012
  C      -1.987028     -0.315576      6.368019
  C      -1.203102      3.381420      6.261886
  C      -2.061963      4.542148      5.772494
  N      -3.051718      3.929641      4.917754
  H      -1.327556     -1.158897      6.092765
  H      -2.531769     -0.604967      7.287903
  H      -0.426334      1.042477      5.750532
  H      -0.614734      0.944722      7.527005
  H      -2.552440      5.085470      6.597959
  H      -1.449161      5.275462      5.220688
  H      -0.650002      3.629799      7.181235
  H      -0.480496      3.113521      5.479578
  H      -4.900366      2.608575      8.385341
  H      -4.262851      3.862059      7.305030
  H      -2.965053      1.232077      8.153815
  H      -2.343946      2.867081      8.489556
  C      -5.099153      4.729504     -0.851775
  C      -4.744270      3.855149      0.325943
  O      -3.701753      4.083988      0.996478
  C      -5.639875      2.689509      0.664940
  C      -6.891867      2.469593      0.059716
  C      -7.665155      1.351347      0.398124
  C      -7.180789      0.440179      1.331116
  F      -7.959833     -0.631363      1.612869
  C      -5.941286      0.632966      1.980383
  C      -5.383429     -0.347516      2.945359
  O      -5.704272     -1.505012      3.005605
  N      -4.405473      0.160968      3.766885
  C      -3.725343     -0.668508      4.558917
  C      -5.201677      1.769551      1.618971
  C      -7.192656      9.996755     -1.370222
  C      -6.997558      8.684655     -0.643929
  O      -7.514464      7.656359     -1.055725
  C      -6.153635      8.670458      0.580533
  C      -5.394202      9.775239      0.985911
  C      -4.598755      9.692085      2.114584
  C      -4.552810      8.500049      2.834481
  F      -3.779452      8.485896      3.930197
  C      -5.297095      7.373414      2.471010
  C      -5.301657      6.040787      3.162936
  O      -6.255786      5.282136      3.002187
  N      -4.165101      5.762509      3.910242
  C      -3.976476      4.488499      4.166871
  C      -6.103708      7.500261      1.343832
  C     -13.153559     -1.148854      2.379754
  C     -12.054824     -1.214696      3.414619
  O     -11.991201     -2.145232      4.176358
  C     -11.058959     -0.095942      3.466791
  C     -11.101669      1.013534      2.573462
  C     -10.138024      2.025936      2.650687
  C      -9.125315      1.924989      3.611753
  F      -8.220083      2.941236      3.637229
  C      -9.055181      0.851451      4.528837
  C      -8.024265      0.725329      5.626316
  O      -8.287661      0.078582      6.662135
  N      -6.814780      1.303110      5.356669
  C      -6.124532      1.717631      6.391637
  C     -10.045560     -0.142935      4.432241
  H      -6.079177      5.213151     -0.724839
  H      -4.336638      5.510789     -0.969600
  H      -5.152550      4.117547     -1.762747
  H      -7.275758      3.178917     -0.672210
  H      -8.652064      1.166324     -0.043283
  H      -3.852382     -1.753603      4.572053
  H      -4.213471      1.939469      2.055956
  H      -7.585817     10.772818     -0.694083
  H      -6.229766     10.365519     -1.761620
  H      -7.883384      9.845119     -2.201350
  H      -5.415063     10.707544      0.420668
  H      -4.005245     10.538323      2.455575
  H      -4.678613      3.721102      3.716716
  H      -6.713026      6.646636      1.058538
  H     -13.821084     -2.009479      2.505869
  H     -12.724629     -1.164807      1.367358
  H     -13.733071     -0.216792      2.475811
  H     -11.892378      1.096357      1.813614
  H     -10.151098      2.904358      1.966776
  H      -6.615910      1.807169      7.379895
  H     -10.013665     -0.989166      5.143941
  N      -1.980850      1.812880      3.375724
  N      -1.114478      1.694625      2.649339
88
Coordinates from ORCA-job orca E -6723.626043555773
  N      -2.923271      0.012555      5.357951
  Mo     -3.460802      1.920164      4.770561
  N      -4.827849      2.115578      6.342347
  C      -4.253581      2.799530      7.497105
  C      -2.851527      2.266822      7.757310
  N      -2.040452      2.151887      6.488170
  C      -1.153536      0.943056      6.574944
  C      -1.993816     -0.319053      6.399515
  C      -1.187788      3.361026      6.234332
  C      -2.039813      4.521453      5.735091
  N      -3.044363      3.908644      4.899060
  H      -1.352001     -1.170515      6.133250
  H      -2.526739     -0.583997      7.326638
  H      -0.434390      1.015588      5.751664
  H      -0.604099      0.946079      7.529609
  H      -2.512822      5.082453      6.555914
  H      -1.427487      5.236848      5.166025
  H      -0.622939      3.617700      7.144535
  H      -0.478637      3.073315      5.450374
  H      -4.861641      2.651481      8.404497
  H      -4.226926      3.883747      7.302805
  H      -2.938201      1.256589      8.173946
  H      -2.301732      2.887226      8.480353
  C      -5.117771      4.652154     -0.824499
  C      -4.783880      3.780790      0.361659
  O      -3.799074      3.949062      1.036218
  C      -5.685752      2.664045      0.692133
  C      -6.942065      2.469245      0.072914
  C      -7.710073      1.379045      0.413339
  C      -7.228245      0.469601      1.359433
  F      -7.998561     -0.576079      1.640557
  C      -5.990282      0.639422      2.018972
  C      -5.443172     -0.349574      2.995469
  O      -5.799057     -1.500540      3.053332
  N      -4.440849      0.143189      3.813395
  C      -3.753773     -0.690557      4.619555
  C      -5.247269      1.751220      1.657676
  C      -7.276822      9.994276     -1.365031
  C      -7.050320      8.679524     -0.644213
  O      -7.558347      7.644805     -1.056657
  C      -6.186562      8.670842      0.578932
  C      -5.434708      9.783917      0.988657
  C      -4.621605      9.700909      2.115248
  C      -4.549045      8.504196      2.829669
  F      -3.760080      8.492361      3.925637
  C      -5.285818      7.368944      2.460516
  C      -5.271854      6.027555      3.139657
  O      -6.235591      5.264037      2.988331
  N      -4.133708      5.748687      3.884463
  C      -3.969558      4.473993      4.154499
  C      -6.110120      7.496420      1.336768
  C     -13.044960     -1.074744      2.250592
  C     -11.965654     -1.176009      3.306294
  O     -11.899480     -2.182788      4.056302
  C     -10.985325     -0.055903      3.414593
  C     -11.025263      1.055941      2.583358
  C     -10.081082      2.071116      2.704958
  C      -9.096112      1.966644      3.661891
  F      -8.203077      2.961647      3.752071
  C      -9.024524      0.881550      4.521564
  C      -8.016437      0.742571      5.613367
  O      -8.293589      0.033615      6.609764
  N      -6.795582      1.339980      5.374023
  C      -6.108555      1.746503      6.414653
  C      -9.997722     -0.113865      4.378198
  H      -6.105094      5.163260     -0.708863
  H      -4.331705      5.402799     -0.929927
  H      -5.182383      4.037321     -1.754733
  H      -7.324360      3.175451     -0.667953
  H      -8.691621      1.217184     -0.035226
  H      -3.888543     -1.785483      4.656344
  H      -4.254991      1.904529      2.101795
  H      -7.674582     10.758260     -0.678325
  H      -6.328061     10.380396     -1.761060
  H      -7.977593      9.839516     -2.196336
  H      -5.476974     10.720235      0.427254
  H      -4.034888     10.552347      2.460033
  H      -4.685808      3.715045      3.720920
  H      -6.712051      6.637181      1.046610
  H     -13.701560     -1.942540      2.331423
  H     -12.599645     -1.043536      1.252924
  H     -13.633421     -0.163085      2.366146
  H     -11.789161      1.134388      1.832772
  H     -10.083536      2.944365      2.067799
  H      -6.600522      1.836186      7.400785
  H      -9.973147     -0.966549      5.047881
  N      -2.010943      1.760886      3.371650
  N      -1.174003      1.625738      2.643264
88
Coordinates from ORCA-job orca E -6723.627808975249
  N      -2.884142      0.005414      5.375459
  Mo     -3.434827      1.905867      4.776174
  N      -4.817715      2.092849      6.342780
  C      -4.251328      2.787661      7.498968
  C      -2.844403      2.268145      7.764893
  N      -2.024282      2.157673      6.500578
  C      -1.125961      0.954051      6.593055
  C      -1.956537     -0.318437      6.421037
  C      -1.180086      3.378274      6.248031
  C      -2.042129      4.532265      5.743857
  N      -3.039338      3.907687      4.901983
  H      -1.300941     -1.161648      6.154140
  H      -2.490374     -0.592233      7.345084
  H      -0.405538      1.030372      5.770203
  H      -0.575429      0.964096      7.550543
  H      -2.526669      5.090064      6.562961
  H      -1.433067      5.255002      5.178191
  H      -0.620067      3.642569      7.161453
  H      -0.463822      3.095499      5.466557
  H      -4.861335      2.634853      8.405155
  H      -4.234017      3.874214      7.303442
  H      -2.924060      1.256927      8.183367
  H      -2.303605      2.897630      8.489102
  C      -5.189241      4.689844     -0.855575
  C      -4.791326      3.838560      0.322524
  O      -3.768098      4.066693      0.926174
  C      -5.670296      2.681602      0.702160
  C      -6.922214      2.467775      0.115666
  C      -7.691454      1.351086      0.467745
  C      -7.200285      0.441921      1.394585
  F      -7.975070     -0.626302      1.696342
  C      -5.960283      0.627028      2.027892
  C      -5.415929     -0.376940      2.993309
  O      -5.819186     -1.581564      3.005916
  N      -4.396925      0.125771      3.827949
  C      -3.709014     -0.702881      4.629302
  C      -5.218301      1.761366      1.655499
  C      -7.284655      9.937965     -1.352423
  C      -7.061242      8.635124     -0.630638
  O      -7.580104      7.589658     -1.037207
  C      -6.190405      8.640744      0.583484
  C      -5.435366      9.759405      0.983913
  C      -4.615741      9.689545      2.107777
  C      -4.538996      8.502293      2.826706
  F      -3.744022      8.504197      3.918329
  C      -5.280625      7.361464      2.465470
  C      -5.267536      6.025906      3.146239
  O      -6.228658      5.257330      2.990626
  N      -4.131110      5.743664      3.889147
  C      -3.964433      4.467035      4.152702
  C      -6.110405      7.477784      1.344536
  C     -13.091087     -1.027946      2.196111
  C     -12.007488     -1.127461      3.259239
  O     -11.939443     -2.119332      4.001765
  C     -11.018717     -0.019802      3.387249
  C     -11.061527      1.101510      2.550249
  C     -10.115421      2.096450      2.686788
  C      -9.117495      1.971661      3.660422
  F      -8.228975      2.975699      3.750743
  C      -9.034852      0.865704      4.536798
  C      -8.007784      0.705951      5.641272
  O      -8.270687      0.030998      6.627175
  N      -6.790329      1.302076      5.387656
  C      -6.096493      1.716623      6.421298
  C     -10.011266     -0.109875      4.380876
  H      -6.157200      5.148936     -0.697191
  H      -4.440075      5.478767     -1.028955
  H      -5.277128      4.073367     -1.752847
  H      -7.311739      3.173833     -0.615509
  H      -8.677316      1.172090      0.042467
  H      -3.834978     -1.790722      4.662178
  H      -4.225529      1.927165      2.078938
  H      -7.673088     10.701233     -0.673225
  H      -6.337533     10.320647     -1.758350
  H      -7.992344      9.776779     -2.171195
  H      -5.480707     10.686273      0.420568
  H      -4.029235     10.543456      2.443804
  H      -4.673135      3.702936      3.713134
  H      -6.716874      6.617205      1.065131
  H     -13.747109     -1.911840      2.271104
  H     -12.644068     -0.992123      1.178268
  H     -13.683906     -0.099705      2.324169
  H     -11.837846      1.201474      1.782255
  H     -10.120334      2.968713      2.053880
  H      -6.583773      1.811653      7.408008
  H      -9.986349     -0.957497      5.045991
  N      -1.975370      1.757106      3.388138
  N      -1.122538      1.622948      2.655866
88
Coordinates from ORCA-job orca E -6723.626846284639
  N      -2.905652      0.020016      5.342660
  Mo     -3.456661      1.921546      4.764874
  N      -4.848360      2.087335      6.325510
  C      -4.292992      2.766518      7.491156
  C      -2.887684      2.248664      7.758135
  N      -2.058750      2.154809      6.497110
  C      -1.157231      0.955619      6.581864
  C      -1.983082     -0.312963      6.390289
  C      -1.217225      3.377376      6.263718
  C      -2.078338      4.531220      5.768060
  N      -3.065862      3.913941      4.914905
  H      -1.324310     -1.155736      6.119320
  H      -2.524320     -0.595669      7.311513
  H      -0.429384      1.042991      5.764020
  H      -0.616629      0.956262      7.538885
  H      -2.570033      5.078217      6.589072
  H      -1.467034      5.261182      5.213221
  H      -0.666370      3.632715      7.181482
  H      -0.493349      3.106862      5.484989
  H      -4.909328      2.601032      8.390850
  H      -4.277165      3.853529      7.309004
  H      -2.967340      1.233118      8.165250
  H      -2.353610      2.870677      8.492766
  C      -5.182733      4.723891     -0.835717
  C      -4.782243      3.858921      0.336763
  O      -3.715286      4.087147      0.978415
  C      -5.666606      2.702928      0.685761
  C      -6.907988      2.499045      0.084922
  C      -7.665914      1.385667      0.414528
  C      -7.180369      0.466921      1.338073
  F      -7.942541     -0.601886      1.612553
  C      -5.956488      0.642580      1.986075
  C      -5.407966     -0.360221      2.946310
  O      -5.757183     -1.551264      2.977247
  N      -4.412360      0.144470      3.783265
  C      -3.727211     -0.685040      4.587753
  C      -5.223322      1.774931      1.632016
  C      -7.201955     10.019396     -1.385904
  C      -7.036200      8.701070     -0.635602
  O      -7.619725      7.660383     -1.009752
  C      -6.147588      8.689228      0.568225
  C      -5.333580      9.795748      0.935992
  C      -4.503951      9.713226      2.053261
  C      -4.475524      8.521008      2.797520
  F      -3.664806      8.509743      3.880192
  C      -5.269176      7.390873      2.466008
  C      -5.293128      6.054628      3.171727
  O      -6.272222      5.308063      3.032288
  N      -4.158034      5.756847      3.913793
  C      -3.988008      4.479543      4.166556
  C      -6.110270      7.520167      1.352512
  C     -13.103550     -1.171116      2.344169
  C     -12.008274     -1.250945      3.376525
  O     -11.934032     -2.199564      4.117365
  C     -11.027206     -0.118089      3.451894
  C     -11.070861      1.012683      2.586400
  C     -10.123017      2.033722      2.688009
  C      -9.123294      1.926537      3.645562
  F      -8.238015      2.958507      3.695954
  C      -9.052860      0.837929      4.529534
  C      -8.029324      0.707077      5.608030
  O      -8.296340      0.037724      6.611029
  N      -6.816967      1.302845      5.355673
  C      -6.129266      1.711439      6.396038
  C     -10.025437     -0.171348      4.415037
  H      -6.167739      5.208540     -0.680609
  H      -4.426128      5.495904     -0.970309
  H      -5.262513      4.115450     -1.748941
  H      -7.294146      3.212828     -0.641800
  H      -8.639826      1.213197     -0.025799
  H      -3.852630     -1.772831      4.611290
  H      -4.242320      1.931445      2.065060
  H      -7.547858     10.835459     -0.704353
  H      -6.230820     10.348886     -1.824586
  H      -7.929140      9.871585     -2.194318
  H      -5.341521     10.726213      0.352832
  H      -3.870664     10.559823      2.365290
  H      -4.692532      3.719988      3.712398
  H      -6.757667      6.667575      1.095083
  H     -13.762791     -2.032844      2.446667
  H     -12.667190     -1.158291      1.340672
  H     -13.695121     -0.250606      2.456296
  H     -11.851520      1.101255      1.829456
  H     -10.135585      2.928629      2.028209
  H      -6.621085      1.792121      7.385282
  H      -9.989011     -1.045480      5.109078
  N      -1.987914      1.793839      3.384999
  N      -1.123079      1.672460      2.652886
88
Coordinates from ORCA-job orca E -6723.626515418323
  N      -2.881280      0.012952      5.346461
  Mo     -3.437395      1.913338      4.754617
  N      -4.825557      2.090505      6.313128
  C      -4.270916      2.780122      7.474480
  C      -2.864572      2.268025      7.747109
  N      -2.038206      2.165899      6.484953
  C      -1.133127      0.968783      6.579519
  C      -1.955132     -0.307363      6.397334
  C      -1.200911      3.391012      6.240561
  C      -2.067234      4.538730      5.734363
  N      -3.053556      3.910800      4.886533
  H      -1.295692     -1.150852      6.135513
  H      -2.494955     -0.583002      7.321756
  H      -0.406775      1.052603      5.760893
  H      -0.591163      0.979981      7.538776
  H      -2.559043      5.091708      6.550828
  H      -1.459120      5.266548      5.172378
  H      -0.649390      3.656275      7.156663
  H      -0.477784      3.116373      5.463076
  H      -4.886608      2.621134      8.375876
  H      -4.257402      3.865721      7.282783
  H      -2.940924      1.255797      8.163529
  H      -2.330747      2.897680      8.475777
  C      -5.095747      4.646215     -0.826930
  C      -4.744155      3.771173      0.352162
  O      -3.712369      3.969518      1.026430
  C      -5.646733      2.629223      0.690260
  C      -6.908082      2.418209      0.085849
  C      -7.671830      1.313010      0.430296
  C      -7.177459      0.404176      1.368183
  F      -7.944017     -0.655126      1.654642
  C      -5.934401      0.589305      2.014960
  C      -5.368177     -0.387191      2.985056
  O      -5.676521     -1.535240      3.052351
  N      -4.388146      0.123195      3.797439
  C      -3.699967     -0.697843      4.601002
  C      -5.199393      1.714862      1.647610
  C      -7.248880     10.028898     -1.351075
  C      -7.020813      8.713063     -0.648678
  O      -7.497974      7.700494     -1.090371
  C      -6.187525      8.682538      0.586393
  C      -5.462277      9.783020      1.024486
  C      -4.671148      9.685078      2.157983
  C      -4.596755      8.483072      2.851836
  F      -3.830533      8.455121      3.954996
  C      -5.309268      7.359992      2.457419
  C      -5.288515      6.017333      3.121197
  O      -6.229628      5.251127      2.943657
  N      -4.155245      5.743537      3.873136
  C      -3.979337      4.469420      4.135236
  C      -6.111372      7.501235      1.325533
  C     -13.138489     -1.033746      2.315108
  C     -12.039519     -1.132435      3.355743
  O     -11.969764     -2.087112      4.109958
  C     -11.047043     -0.030750      3.426481
  C     -11.093948      1.079038      2.557069
  C     -10.132587      2.074642      2.653878
  C      -9.118887      1.951325      3.621590
  F      -8.213974      2.937978      3.680688
  C      -9.042886      0.874779      4.511156
  C      -8.011682      0.728064      5.601282
  O      -8.271350      0.042212      6.620153
  N      -6.797282      1.310853      5.341450
  C      -6.108203      1.714838      6.380723
  C     -10.031543     -0.101901      4.394082
  H      -6.082948      5.147764     -0.703737
  H      -4.324618      5.406849     -0.931677
  H      -5.155333      4.037537     -1.749049
  H      -7.299857      3.124818     -0.648730
  H      -8.660399      1.138285     -0.007093
  H      -3.821841     -1.789470      4.631459
  H      -4.204736      1.878444      2.080696
  H      -7.669842     10.770078     -0.667827
  H      -6.301811     10.428002     -1.713515
  H      -7.924643      9.884393     -2.199306
  H      -5.504091     10.724280      0.479075
  H      -4.102557     10.528124      2.523587
  H      -4.681869      3.706470      3.687582
  H      -6.695415      6.650420      1.015371
  H     -13.800723     -1.885127      2.424719
  H     -12.714638     -1.030988      1.304171
  H     -13.714693     -0.107234      2.422608
  H     -11.880377      1.168834      1.801772
  H     -10.140257      2.942280      1.992148
  H      -6.601267      1.800076      7.368377
  H      -9.999906     -0.947699      5.085559
  N      -1.971290      1.775150      3.372078
  N      -1.116306      1.650565      2.643840
88
Coordinates from ORCA-job orca E -6723.626767835181
  N      -2.886809      0.014326      5.360990
  Mo     -3.437488      1.912926      4.762630
  N      -4.830721      2.097564      6.319654
  C      -4.273258      2.790862      7.481016
  C      -2.868566      2.274426      7.753803
  N      -2.041440      2.166696      6.492954
  C      -1.141584      0.967265      6.588143
  C      -1.965558     -0.306585      6.410843
  C      -1.200661      3.388645      6.246701
  C      -2.061541      4.538987      5.739037
  N      -3.050309      3.913772      4.890044
  H      -1.307528     -1.147820      6.146265
  H      -2.503057     -0.580994      7.332464
  H      -0.417860      1.045838      5.769058
  H      -0.597973      0.979377      7.548133
  H      -2.552911      5.094499      6.555652
  H      -1.451041      5.263502      5.177886
  H      -0.648844      3.653602      7.163683
  H      -0.477996      3.108849      5.469640
  H      -4.888258      2.634663      8.383544
  H      -4.257557      3.877085      7.288266
  H      -2.948313      1.263680      8.171483
  H      -2.333401      2.904797      8.481384
  C      -5.200904      4.698608     -0.828308
  C      -4.821032      3.825970      0.338252
  O      -3.824989      4.034979      0.959130
  C      -5.688287      2.663548      0.694906
  C      -6.948045      2.435055      0.100044
  C      -7.706322      1.310301      0.447344
  C      -7.201851      0.405872      1.376672
  F      -7.968068     -0.668702      1.674709
  C      -5.951097      0.606613      2.013981
  C      -5.388241     -0.381747      2.978595
  O      -5.753712     -1.563126      3.001030
  N      -4.389026      0.128503      3.808836
  C      -3.705758     -0.697232      4.615353
  C      -5.221874      1.748246      1.645640
  C      -7.212366     10.008252     -1.340379
  C      -7.022516      8.698867     -0.619513
  O      -7.568306      7.672279     -1.020611
  C      -6.150984      8.682964      0.588616
  C      -5.375308      9.785289      0.986654
  C      -4.557860      9.699535      2.103454
  C      -4.504163      8.510840      2.817063
  F      -3.709415      8.496502      3.901969
  C      -5.263617      7.385822      2.458630
  C      -5.265394      6.049129      3.137308
  O      -6.231447      5.290705      2.979385
  N      -4.132426      5.760541      3.882656
  C      -3.971703      4.480047      4.137991
  C      -6.092220      7.516752      1.344656
  C     -13.102447     -1.114136      2.261235
  C     -12.020033     -1.194496      3.312843
  O     -11.955523     -2.201915      4.068792
  C     -11.029426     -0.065614      3.418743
  C     -11.065509      1.044319      2.579515
  C     -10.121738      2.067978      2.686912
  C      -9.133142      1.976793      3.637114
  F      -8.245767      2.995769      3.707622
  C      -9.052379      0.871311      4.521054
  C      -8.020173      0.716616      5.615283
  O      -8.281955      0.032226      6.617039
  N      -6.803305      1.313512      5.355424
  C      -6.111428      1.723532      6.389984
  C     -10.031820     -0.122335      4.385413
  H      -6.172489      5.156505     -0.679107
  H      -4.446437      5.493535     -0.975091
  H      -5.273252      4.093492     -1.740133
  H      -7.348706      3.138934     -0.629046
  H      -8.696940      1.121344      0.019083
  H      -3.830643     -1.790883      4.650195
  H      -4.223622      1.926584      2.073189
  H      -7.581399     10.782778     -0.657408
  H      -6.254729     10.368788     -1.753620
  H      -7.925858      9.860315     -2.155272
  H      -5.402026     10.715002      0.426380
  H      -3.953856     10.542667      2.438147
  H      -4.679167      3.722447      3.687878
  H      -6.713633      6.665854      1.065407
  H     -13.766002     -2.004791      2.345760
  H     -12.648460     -1.086027      1.250414
  H     -13.693196     -0.195087      2.380887
  H     -11.833016      1.116980      1.831190
  H     -10.123577      2.929449      2.049864
  H      -6.600941      1.813213      7.375575
  H     -10.012262     -0.952275      5.044858
  N      -1.971467      1.767821      3.380730
  N      -1.124397      1.639240      2.655241
88
Coordinates from ORCA-job orca E -6723.627884335756
  N      -2.863232      0.007388      5.378636
  Mo     -3.436514      1.899102      4.777736
  N      -4.820188      2.073916      6.342530
  C      -4.261141      2.771293      7.498691
  C      -2.847104      2.269145      7.763484
  N      -2.027143      2.168061      6.498772
  C      -1.112329      0.977085      6.592944
  C      -1.928876     -0.304514      6.423763
  C      -1.198022      3.397897      6.244216
  C      -2.074037      4.539730      5.737865
  N      -3.063772      3.903331      4.896049
  H      -1.264700     -1.143423      6.159201
  H      -2.459688     -0.581314      7.350566
  H      -0.392442      1.061291      5.769418
  H      -0.562030      0.995270      7.548194
  H      -2.564831      5.093515      6.554591
  H      -1.472507      5.268401      5.170991
  H      -0.642195      3.670485      7.156742
  H      -0.477245      3.124033      5.464723
  H      -4.869594      2.609970      8.403991
  H      -4.257232      3.857724      7.304136
  H      -2.913717      1.257351      8.183859
  H      -2.313468      2.905338      8.486187
  C      -5.253212      4.650220     -0.818984
  C      -4.830542      3.793310      0.351399
  O      -3.785858      4.010531      0.960375
  C      -5.696139      2.645066      0.720733
  C      -6.946524      2.436416      0.136191
  C      -7.695045      1.324607      0.482966
  C      -7.190914      0.414855      1.406856
  F      -7.944312     -0.651722      1.702976
  C      -5.956182      0.595537      2.037975
  C      -5.397222     -0.406594      3.001434
  O      -5.765291     -1.615306      3.020278
  N      -4.385228      0.105610      3.832337
  C      -3.685442     -0.709857      4.641349
  C      -5.230679      1.725438      1.667867
  C      -7.261044     10.001436     -1.369189
  C      -7.067377      8.687538     -0.632931
  O      -7.630602      7.641259     -1.020840
  C      -6.179312      8.679795      0.575220
  C      -5.385457      9.791073      0.959499
  C      -4.554403      9.708245      2.080045
  C      -4.503537      8.514697      2.811836
  F      -3.694161      8.504853      3.899379
  C      -5.280627      7.379723      2.464124
  C      -5.292318      6.038689      3.154862
  O      -6.271180      5.283645      3.005553
  N      -4.156419      5.739816      3.894649
  C      -3.992098      4.462185      4.150810
  C      -6.121649      7.510411      1.347445
  C     -13.089620     -1.008728      2.182661
  C     -11.997892     -1.132618      3.242488
  O     -11.925277     -2.118266      3.974978
  C     -11.011519     -0.028984      3.372721
  C     -11.056898      1.104735      2.541976
  C     -10.106720      2.088208      2.693826
  C      -9.102138      1.941111      3.672625
  F      -8.211902      2.936867      3.776922
  C      -9.027711      0.847208      4.525643
  C      -8.002607      0.683840      5.616784
  O      -8.266169     -0.002513      6.596416
  N      -6.787478      1.285439      5.376025
  C      -6.098276      1.693240      6.417237
  C     -10.002641     -0.129891      4.363054
  H      -6.234208      5.124345     -0.645897
  H      -4.499448      5.427776     -0.977952
  H      -5.351775      4.038977     -1.732133
  H      -7.347260      3.143332     -0.589959
  H      -8.676650      1.149134      0.058110
  H      -3.800651     -1.793763      4.680600
  H      -4.239812      1.887402      2.086537
  H      -7.622920     10.791022     -0.686415
  H      -6.303656     10.354117     -1.793172
  H      -7.982628      9.852179     -2.182572
  H      -5.410820     10.721945      0.386993
  H      -3.939042     10.555955      2.403948
  H      -4.696421      3.702716      3.704992
  H      -6.754040      6.656407      1.078890
  H     -13.744949     -1.873833      2.252563
  H     -12.656972     -0.968700      1.170629
  H     -13.677423     -0.082518      2.316181
  H     -11.841767      1.229624      1.765541
  H     -10.120067      2.990802      2.055981
  H      -6.588421      1.774328      7.405561
  H      -9.963777     -1.020537      5.038070
  N      -1.977327      1.765008      3.387743
  N      -1.128668      1.641899      2.650338
88
Coordinates from ORCA-job orca E -6723.626152455814
  N      -2.889643      0.010147      5.351392
  Mo     -3.446739      1.903529      4.748388
  N      -4.842421      2.085213      6.299735
  C      -4.295110      2.777536      7.461442
  C      -2.890695      2.269364      7.741111
  N      -2.058515      2.164644      6.483343
  C      -1.151882      0.972455      6.586770
  C      -1.968300     -0.303145      6.407240
  C      -1.224602      3.388782      6.238144
  C      -2.089767      4.530507      5.724784
  N      -3.070166      3.900282      4.873822
  H      -1.305552     -1.144190      6.149632
  H      -2.510196     -0.576604      7.330214
  H      -0.423293      1.053986      5.769886
  H      -0.615141      0.989682      7.546591
  H      -2.586409      5.084037      6.537068
  H      -1.481109      5.257259      5.163963
  H      -0.679190      3.658292      7.155318
  H      -0.497582      3.112948      5.465004
  H      -4.914030      2.618812      8.360433
  H      -4.283340      3.861832      7.267986
  H      -2.966281      1.259292      8.160289
  H      -2.362052      2.902738      8.469745
  C      -5.123497      4.666343     -0.831824
  C      -4.739144      3.798563      0.341312
  O      -3.663667      4.026750      0.994581
  C      -5.640275      2.641273      0.692885
  C      -6.891707      2.434069      0.100569
  C      -7.660586      1.323256      0.442968
  C      -7.175102      0.407120      1.370567
  F      -7.948474     -0.656490      1.658633
  C      -5.941395      0.585175      2.007458
  C      -5.385678     -0.404260      2.970332
  O      -5.710938     -1.580932      3.026102
  N      -4.396353      0.112919      3.793518
  C      -3.708593     -0.709576      4.603461
  C      -5.200137      1.715703      1.641112
  C      -7.209381     10.090072     -1.362343
  C      -7.002545      8.766492     -0.656001
  O      -7.511989      7.749110     -1.091346
  C      -6.157069      8.724621      0.573979
  C      -5.407246      9.820141      1.006535
  C      -4.607494      9.711357      2.138336
  C      -4.548357      8.503022      2.836771
  F      -3.772888      8.466529      3.938024
  C      -5.286739      7.383986      2.446922
  C      -5.286018      6.035965      3.110249
  O      -6.240623      5.281974      2.930951
  N      -4.156059      5.741975      3.862702
  C      -3.990876      4.465180      4.120155
  C      -6.095373      7.537926      1.316604
  C     -13.123954     -1.124400      2.363489
  C     -12.032707     -1.203326      3.388026
  O     -11.963990     -2.140745      4.120576
  C     -11.044658     -0.082665      3.455870
  C     -11.084528      1.044267      2.591162
  C     -10.129938      2.064755      2.683522
  C      -9.128772      1.955002      3.634735
  F      -8.229405      2.964961      3.692969
  C      -9.054980      0.854979      4.518139
  C      -8.024161      0.709297      5.585703
  O      -8.284028      0.025486      6.588868
  N      -6.813061      1.305558      5.325426
  C      -6.124304      1.711060      6.365680
  C     -10.038014     -0.141933      4.408059
  H      -6.111266      5.156364     -0.690165
  H      -4.367323      5.436347     -0.957159
  H      -5.193960      4.053228     -1.743474
  H      -7.277877      3.147033     -0.627925
  H      -8.645530      1.150889      0.012553
  H      -3.830607     -1.804432      4.635704
  H      -4.210958      1.874037      2.065793
  H      -7.611008     10.847085     -0.676025
  H      -6.254782     10.469260     -1.736205
  H      -7.897301      9.956535     -2.203514
  H      -5.437367     10.764058      0.459300
  H      -4.021418     10.549172      2.499109
  H      -4.694791      3.707553      3.665012
  H      -6.697312      6.693104      1.011029
  H     -13.786887     -1.994026      2.470623
  H     -12.680563     -1.109012      1.353346
  H     -13.714431     -0.197487      2.481574
  H     -11.860597      1.120864      1.850261
  H     -10.129197      2.939661      2.032725
  H      -6.616770      1.794525      7.353814
  H     -10.011367     -0.998619      5.093707
  N      -1.975145      1.762816      3.372926
  N      -1.107154      1.632908      2.638683
88
Coordinates from ORCA-job orca E -6723.627217961311
  N      -2.858961      0.013715      5.351358
  Mo     -3.432453      1.908589      4.751896
  N      -4.832061      2.077269      6.304308
  C      -4.284313      2.775238      7.466953
  C      -2.872299      2.277305      7.742472
  N      -2.040626      2.180990      6.483081
  C      -1.123423      0.993019      6.580358
  C      -1.930847     -0.295614      6.402618
  C      -1.214996      3.415937      6.238400
  C      -2.091559      4.554633      5.727266
  N      -3.070811      3.915571      4.876285
  H      -1.258769     -1.129508      6.139149
  H      -2.466957     -0.579360      7.325992
  H      -0.398873      1.082243      5.761121
  H      -0.579978      1.012308      7.540597
  H      -2.592458      5.104540      6.541996
  H      -1.488761      5.288885      5.167227
  H      -0.668245      3.689194      7.156114
  H      -0.486179      3.146820      5.462710
  H      -4.899422      2.608903      8.368138
  H      -4.283412      3.862131      7.275465
  H      -2.940245      1.264823      8.161005
  H      -2.347208      2.915126      8.471501
  C      -5.201141      4.682709     -0.773827
  C      -4.817939      3.790619      0.382866
  O      -3.790070      3.988279      1.023992
  C      -5.688344      2.626406      0.726891
  C      -6.948875      2.394186      0.133433
  C      -7.689626      1.270408      0.476427
  C      -7.170744      0.367438      1.402191
  F      -7.919474     -0.705623      1.696714
  C      -5.920786      0.573218      2.036620
  C      -5.332909     -0.399331      2.995956
  O      -5.637244     -1.550387      3.037415
  N      -4.359313      0.111847      3.808448
  C      -3.670240     -0.701420      4.609629
  C      -5.210134      1.713786      1.670587
  C      -7.202374     10.040289     -1.331710
  C      -7.039638      8.726220     -0.606131
  O      -7.617308      7.710658     -0.991380
  C      -6.151627      8.698928      0.590056
  C      -5.345714      9.791287      0.973448
  C      -4.518784      9.695944      2.080382
  C      -4.484776      8.505593      2.798299
  F      -3.677303      8.482658      3.872964
  C      -5.270855      7.389784      2.452967
  C      -5.289073      6.053834      3.135636
  O      -6.259582      5.305914      2.984257
  N      -4.157836      5.759382      3.877775
  C      -3.996152      4.478072      4.125587
  C      -6.109618      7.529646      1.349219
  C     -13.144830     -1.081949      2.257173
  C     -12.051579     -1.172118      3.310510
  O     -11.981857     -2.160100      4.067654
  C     -11.058033     -0.063606      3.407099
  C     -11.112018      1.048789      2.553724
  C     -10.162552      2.064206      2.656461
  C      -9.154605      1.962379      3.612734
  F      -8.269716      2.986465      3.669915
  C      -9.057570      0.854791      4.505176
  C      -8.014666      0.695144      5.602372
  O      -8.260602      0.002384      6.614202
  N      -6.804943      1.285522      5.337735
  C      -6.113390      1.694838      6.372202
  C     -10.040764     -0.131582      4.375738
  H      -6.180459      5.141823     -0.616827
  H      -4.444643      5.472354     -0.902327
  H      -5.273233      4.094488     -1.700641
  H      -7.359099      3.096909     -0.591659
  H      -8.677808      1.079678      0.049156
  H      -3.781578     -1.790259      4.642917
  H      -4.212748      1.894872      2.094767
  H      -7.543345     10.834682     -0.641176
  H      -6.234621     10.377193     -1.762627
  H      -7.930435      9.901519     -2.138074
  H      -5.357978     10.723354      0.409099
  H      -3.889799     10.533662      2.405723
  H      -4.696604      3.720748      3.669899
  H      -6.754814      6.684809      1.079368
  H     -13.806073     -1.936914      2.344289
  H     -12.730011     -1.072204      1.258755
  H     -13.707839     -0.173894      2.367571
  H     -11.898697      1.135086      1.797685
  H     -10.179465      2.927671      2.007365
  H      -6.605259      1.778740      7.358580
  H     -10.008354     -0.954573      5.040441
  N      -1.964015      1.779972      3.369509
  N      -1.115992      1.661834      2.640220
88
Coordinates from ORCA-job orca E -6723.626072272978
  N      -2.854690      0.006645      5.385188
  Mo     -3.430442      1.892621      4.769779
  N      -4.821943      2.076821      6.325184
  C      -4.271029      2.781171      7.482333
  C      -2.858942      2.283220      7.756573
  N      -2.033066      2.176350      6.495355
  C      -1.116097      0.988872      6.599930
  C      -1.926236     -0.295253      6.434736
  C      -1.207345      3.406512      6.237392
  C      -2.082571      4.542432      5.720575
  N      -3.066183      3.900598      4.875814
  H      -1.259895     -1.132933      6.176756
  H      -2.459120     -0.567390      7.359972
  H      -0.394136      1.069635      5.779084
  H      -0.570598      1.015897      7.557530
  H      -2.579145      5.100181      6.532183
  H      -1.480008      5.268859      5.153223
  H      -0.657655      3.685764      7.151246
  H      -0.482067      3.128870      5.462901
  H      -4.883883      2.623247      8.385488
  H      -4.268014      3.866449      7.283140
  H      -2.924769      1.274408      8.182327
  H      -2.329876      2.925119      8.477762
  C      -5.260366      4.640813     -0.824117
  C      -4.845281      3.779421      0.339216
  O      -3.840911      3.990394      0.936359
  C      -5.703337      2.624460      0.710656
  C      -6.966647      2.401291      0.130018
  C      -7.715366      1.280147      0.485063
  C      -7.199766      0.375994      1.409808
  F      -7.953715     -0.697517      1.715325
  C      -5.950630      0.570714      2.035260
  C      -5.384722     -0.425957      2.998997
  O      -5.755089     -1.632551      3.012615
  N      -4.372411      0.094766      3.833701
  C      -3.672172     -0.719168      4.650620
  C      -5.226495      1.709234      1.658848
  C      -7.214222     10.048895     -1.351381
  C      -7.019069      8.732374     -0.637425
  O      -7.549900      7.707537     -1.057195
  C      -6.159141      8.703400      0.582349
  C      -5.393159      9.803394      0.999192
  C      -4.583204      9.704516      2.125506
  C      -4.527287      8.506733      2.830497
  F      -3.740027      8.480244      3.925022
  C      -5.278408      7.383496      2.453284
  C      -5.280381      6.038257      3.121710
  O      -6.247283      5.278839      2.950870
  N      -4.149646      5.742961      3.869501
  C      -3.991022      4.462930      4.124956
  C      -6.098856      7.528415      1.330230
  C     -13.091855     -1.026301      2.219018
  C     -11.998501     -1.148770      3.270041
  O     -11.926886     -2.169011      4.014262
  C     -11.011584     -0.029994      3.388340
  C     -11.053032      1.097401      2.563200
  C     -10.104421      2.090162      2.699015
  C      -9.106421      1.955909      3.660809
  F      -8.219923      2.955549      3.754972
  C      -9.033600      0.865463      4.508257
  C      -8.003731      0.695853      5.589331
  O      -8.269390     -0.004947      6.576267
  N      -6.785450      1.295526      5.349150
  C      -6.100635      1.698638      6.392024
  C     -10.008973     -0.117228      4.357804
  H      -6.238014      5.103111     -0.655901
  H      -4.512495      5.429621     -0.978996
  H      -5.349497      4.032788     -1.736581
  H      -7.376000      3.104734     -0.595663
  H      -8.706412      1.095288      0.067493
  H      -3.785462     -1.810560      4.696480
  H      -4.227103      1.883003      2.073912
  H      -7.599193     10.813425     -0.669874
  H      -6.257018     10.416655     -1.743444
  H      -7.913463      9.911054     -2.180365
  H      -5.421093     10.739291      0.445863
  H      -3.987378     10.543890      2.473747
  H      -4.695306      3.707207      3.673955
  H      -6.711578      6.680965      1.037087
  H     -13.749319     -1.906018      2.295123
  H     -12.644949     -0.979966      1.199182
  H     -13.693486     -0.094008      2.358409
  H     -11.831347      1.209531      1.801062
  H     -10.113707      2.984630      2.062620
  H      -6.594218      1.781413      7.377112
  H      -9.972455     -1.002847      5.028524
  N      -1.966073      1.750848      3.386545
  N      -1.124137      1.625383      2.656693
88
Coordinates from ORCA-job orca E -6723.625387429059
  N      -2.846391      0.009419      5.377610
  Mo     -3.427204      1.895602      4.765644
  N      -4.825660      2.068096      6.318517
  C      -4.278929      2.767964      7.476533
  C      -2.866602      2.276148      7.752651
  N      -2.035408      2.178453      6.494789
  C      -1.113515      0.997571      6.600663
  C      -1.915162     -0.291161      6.430302
  C      -1.215800      3.413770      6.243837
  C      -2.096466      4.544762      5.728077
  N      -3.073535      3.900992      4.879860
  H      -1.237188     -1.121517      6.169690
  H      -2.449371     -0.575340      7.355983
  H      -0.388844      1.085391      5.780048
  H      -0.570758      1.023700      7.557933
  H      -2.598369      5.094010      6.539748
  H      -1.496994      5.278915      5.165640
  H      -0.670314      3.692972      7.158967
  H      -0.486908      3.145653      5.469832
  H      -4.892775      2.602487      8.377692
  H      -4.280980      3.852896      7.281604
  H      -2.930540      1.265639      8.174833
  H      -2.344521      2.917771      8.479001
  C      -5.280732      4.647871     -0.794118
  C      -4.839621      3.779436      0.359068
  O      -3.767237      4.010625      0.979095
  C      -5.703411      2.614908      0.716174
  C      -6.956045      2.396725      0.137276
  C      -7.699199      1.274305      0.482195
  C      -7.186067      0.362718      1.402760
  F      -7.938351     -0.712677      1.700289
  C      -5.948405      0.550844      2.026672
  C      -5.368207     -0.444030      2.987851
  O      -5.701918     -1.667917      3.023752
  N      -4.368174      0.089597      3.819532
  C      -3.663264     -0.720686      4.635775
  C      -5.229227      1.690643      1.655191
  C      -7.214326     10.086855     -1.372992
  C      -7.044689      8.763196     -0.637638
  O      -7.620745      7.735301     -1.034932
  C      -6.159143      8.726412      0.572601
  C      -5.356435      9.820374      0.966321
  C      -4.525141      9.714816      2.086171
  C      -4.486293      8.511238      2.809905
  F      -3.677174      8.479054      3.897687
  C      -5.276049      7.392903      2.456665
  C      -5.295180      6.047680      3.141689
  O      -6.266439      5.297861      2.974789
  N      -4.161053      5.742375      3.884199
  C      -3.997622      4.463550      4.130257
  C      -6.114692      7.545876      1.338502
  C     -13.106585     -1.059287      2.219602
  C     -12.031850     -1.158789      3.278630
  O     -11.975001     -2.104442      3.999817
  C     -11.034111     -0.055397      3.397629
  C     -11.066092      1.083014      2.553345
  C     -10.111738      2.096187      2.687575
  C      -9.113244      1.959102      3.664361
  F      -8.204665      2.951020      3.769108
  C      -9.038766      0.836732      4.532594
  C      -8.011779      0.671419      5.617497
  O      -8.265751     -0.009678      6.588361
  N      -6.800403      1.276714      5.358036
  C      -6.104155      1.687865      6.394004
  C     -10.025649     -0.144544      4.379534
  H      -6.282627      5.113042     -0.619440
  H      -4.546816      5.430115     -0.928658
  H      -5.364033      4.045084     -1.713641
  H      -7.366058      3.106350     -0.584334
  H      -8.686649      1.090369      0.060996
  H      -3.773681     -1.811663      4.672419
  H      -4.234709      1.857897      2.065884
  H      -7.562017     10.884599     -0.685507
  H      -6.252219     10.421920     -1.793876
  H      -7.937181      9.953112     -2.190078
  H      -5.369885     10.758935      0.401153
  H      -3.900363     10.550002      2.415815
  H      -4.698514      3.710304      3.673254
  H      -6.753900      6.705207      1.063260
  H     -13.780007     -1.924521      2.284253
  H     -12.667237     -1.032200      1.207378
  H     -13.673217     -0.125119      2.347630
  H     -11.834472      1.171716      1.797576
  H     -10.099191      2.976848      2.053372
  H      -6.591535      1.770227      7.385294
  H     -10.013101     -1.002244      5.050353
  N      -1.959329      1.764655      3.385864
  N      -1.096727      1.641220      2.646178
88
Coordinates from ORCA-job orca E -6723.628506437876
  N      -2.876006      0.003384      5.355592
  Mo     -3.439394      1.894493      4.741690
  N      -4.843874      2.080867      6.283677
  C      -4.302370      2.781075      7.447419
  C      -2.895900      2.279736      7.733768
  N      -2.059060      2.172652      6.478397
  C      -1.146875      0.983914      6.587947
  C      -1.955578     -0.299845      6.413573
  C      -1.230476      3.401939      6.230451
  C      -2.099760      4.538312      5.707735
  N      -3.074809      3.898989      4.854351
  H      -1.289446     -1.137789      6.161034
  H      -2.496139     -0.571158      7.335016
  H      -0.418568      1.064726      5.772409
  H      -0.610529      1.009261      7.551057
  H      -2.603083      5.094490      6.516279
  H      -1.492460      5.266458      5.146817
  H      -0.689467      3.679370      7.149637
  H      -0.498671      3.125432      5.460659
  H      -4.923443      2.621746      8.345404
  H      -4.295660      3.866041      7.251374
  H      -2.968547      1.271031      8.158108
  H      -2.372483      2.920107      8.461153
  C      -5.164533      4.670248     -0.790769
  C      -4.768371      3.791155      0.366997
  O      -3.688409      4.006560      0.984080
  C      -5.649850      2.623359      0.734270
  C      -6.893101      2.400071      0.152103
  C      -7.638423      1.281657      0.498574
  C      -7.139787      0.374149      1.419320
  F      -7.888160     -0.693680      1.714182
  C      -5.909331      0.567709      2.045199
  C      -5.343379     -0.413850      2.997135
  O      -5.665096     -1.572888      3.042576
  N      -4.368962      0.097067      3.810363
  C      -3.687562     -0.717654      4.615800
  C      -5.191553      1.704101      1.676460
  C      -7.229279     10.071419     -1.312466
  C      -7.044212      8.754350     -0.609559
  O      -7.601940      7.743453     -1.016927
  C      -6.161773      8.714893      0.591481
  C      -5.375866      9.803818      0.998249
  C      -4.551275      9.697006      2.106659
  C      -4.501291      8.498531      2.804373
  F      -3.698966      8.465935      3.882262
  C      -5.270716      7.385957      2.436625
  C      -5.279136      6.042481      3.097337
  O      -6.248384      5.293473      2.935955
  N      -4.150793      5.746840      3.847726
  C      -3.995201      4.465681      4.099052
  C      -6.104917      7.537567      1.330799
  C     -13.127251     -1.088387      2.323712
  C     -12.027403     -1.167984      3.345955
  O     -11.941533     -2.139304      4.090169
  C     -11.050200     -0.051278      3.418192
  C     -11.108269      1.054161      2.572752
  C     -10.160804      2.057504      2.668679
  C      -9.155461      1.960344      3.605538
  F      -8.279583      2.983908      3.654024
  C      -9.059840      0.874544      4.475624
  C      -8.019899      0.722151      5.547219
  O      -8.276951      0.022951      6.562366
  N      -6.808042      1.306996      5.295240
  C      -6.126095      1.708834      6.339081
  C     -10.033977     -0.115911      4.364902
  H      -6.136174      5.133082     -0.624139
  H      -4.407937      5.462288     -0.945912
  H      -5.252702      4.063879     -1.703555
  H      -7.286619      3.107024     -0.572560
  H      -8.612131      1.098773      0.076280
  H      -3.803631     -1.809037      4.653640
  H      -4.205798      1.875694      2.094663
  H      -7.587157     10.839595     -0.615872
  H      -6.270314     10.429798     -1.723518
  H      -7.949151      9.940094     -2.126412
  H      -5.400916     10.741680      0.450539
  H      -3.937540     10.531193      2.449510
  H      -4.698076      3.711693      3.640523
  H      -6.734688      6.695746      1.043100
  H     -13.775162     -1.966092      2.435383
  H     -12.690686     -1.065715      1.309907
  H     -13.731497     -0.170901      2.445655
  H     -11.901271      1.149407      1.823166
  H     -10.184304      2.932458      2.014653
  H      -6.625965      1.794344      7.321120
  H      -9.988364     -0.968184      5.045260
  N      -1.964968      1.749963      3.366478
  N      -1.107108      1.619870      2.636666
88
Coordinates from ORCA-job orca E -6723.628600515211
  N      -2.825286      0.010394      5.379444
  Mo     -3.424629      1.888491      4.756507
  N      -4.825425      2.060454      6.304429
  C      -4.287783      2.771710      7.462491
  C      -2.869599      2.293130      7.743322
  N      -2.036967      2.195536      6.486172
  C      -1.102112      1.022002      6.598235
  C      -1.893743     -0.275157      6.432859
  C      -1.227596      3.435748      6.228868
  C      -2.115916      4.557274      5.705073
  N      -3.087425      3.901949      4.856427
  H      -1.213288     -1.104119      6.178086
  H      -2.426673     -0.554235      7.357905
  H      -0.377775      1.110757      5.779569
  H      -0.560586      1.060334      7.556577
  H      -2.623325      5.110484      6.512358
  H      -1.519920      5.290613      5.139552
  H      -0.685854      3.724844      7.143768
  H      -0.495180      3.165856      5.458818
  H      -4.901791      2.605158      8.363222
  H      -4.300025      3.856811      7.262733
  H      -2.923334      1.284123      8.170632
  H      -2.351933      2.943017      8.465282
  C      -5.261605      4.630163     -0.779283
  C      -4.846869      3.743258      0.378862
  O      -3.839460      3.944189      1.015900
  C      -5.703507      2.583031      0.724859
  C      -6.988564      2.353509      0.140880
  C      -7.737048      1.228186      0.491521
  C      -7.200747      0.323356      1.414989
  F      -7.961688     -0.752309      1.721117
  C      -5.927908      0.526655      2.039131
  C      -5.333251     -0.451740      3.001954
  O      -5.643611     -1.631468      3.027982
  N      -4.339797      0.075852      3.829961
  C      -3.633027     -0.725485      4.647260
  C      -5.209012      1.669735      1.665892
  C      -7.148853     10.135395     -1.357832
  C      -6.979164      8.806885     -0.649606
  O      -7.519142      7.798861     -1.074800
  C      -6.130346      8.752116      0.573679
  C      -5.356827      9.838437      1.000255
  C      -4.557886      9.718829      2.127940
  C      -4.520665      8.511355      2.826092
  F      -3.742274      8.465981      3.922928
  C      -5.279215      7.400830      2.440258
  C      -5.295008      6.049773      3.101416
  O      -6.256168      5.300769      2.916981
  N      -4.171789      5.743495      3.853060
  C      -4.013212      4.462093      4.103137
  C      -6.088866      7.565667      1.314985
  C     -13.151130     -1.057491      2.252451
  C     -12.051085     -1.178565      3.293450
  O     -11.985745     -2.192725      4.034431
  C     -11.048869     -0.061749      3.401899
  C     -11.092728      1.092594      2.561093
  C     -10.130295      2.095096      2.687682
  C      -9.120622      1.952935      3.646744
  F      -8.220167      2.960497      3.734458
  C      -9.043675      0.830508      4.507154
  C      -8.000192      0.649157      5.580344
  O      -8.248767     -0.066961      6.571216
  N      -6.790228      1.263037      5.328564
  C      -6.104658      1.671953      6.368879
  C     -10.033564     -0.156338      4.363774
  H      -6.250865      5.078922     -0.616555
  H      -4.519667      5.422435     -0.904326
  H      -5.332485      4.048601     -1.711147
  H      -7.416313      3.057439     -0.578545
  H      -8.749933      1.040454      0.076643
  H      -3.732365     -1.815454      4.694727
  H      -4.195826      1.849712      2.079617
  H      -7.529143     10.904805     -0.673642
  H      -6.183598     10.489958     -1.739077
  H      -7.842253     10.015599     -2.192688
  H      -5.369768     10.782110      0.452302
  H      -3.955008     10.548761      2.484812
  H      -4.710157      3.705415      3.644154
  H      -6.707382      6.726794      1.011626
  H     -13.817644     -1.910606      2.328871
  H     -12.729477     -1.026200      1.256398
  H     -13.722167     -0.143763      2.383424
  H     -11.875931      1.201818      1.808056
  H     -10.135273      2.984914      2.053652
  H      -6.597886      1.748622      7.354956
  H     -10.001770     -1.029528      5.026475
  N      -1.954402      1.760887      3.378740
  N      -1.107617      1.643585      2.646976
88
Coordinates from ORCA-job orca E -6723.628840264586
  N      -2.828653      0.008163      5.382707
  Mo     -3.420783      1.889425      4.763350
  N      -4.820731      2.059637      6.315115
  C      -4.277513      2.766782      7.472811
  C      -2.860314      2.284670      7.748994
  N      -2.030674      2.187388      6.489766
  C      -1.100084      1.011526      6.597499
  C      -1.895675     -0.284230      6.434531
  C      -1.218170      3.428791      6.233013
  C      -2.106726      4.554319      5.714894
  N      -3.081559      3.901790      4.867026
  H      -1.215853     -1.113968      6.176605
  H      -2.426864     -0.565132      7.362237
  H      -0.377944      1.101202      5.775414
  H      -0.555178      1.045507      7.555287
  H      -2.612164      5.104448      6.525232
  H      -1.510855      5.290342      5.149930
  H      -0.673314      3.714864      7.147699
  H      -0.487521      3.162219      5.459201
  H      -4.890461      2.599626      8.374602
  H      -4.286715      3.852274      7.275398
  H      -2.916436      1.275000      8.176135
  H      -2.340170      2.933188      8.471358
  C      -5.288691      4.634655     -0.767666
  C      -4.865814      3.760596      0.373477
  O      -3.840209      3.968450      0.970369
  C      -5.719232      2.594615      0.731071
  C      -6.966513      2.361315      0.145799
  C      -7.692701      1.230734      0.491110
  C      -7.173774      0.326942      1.413372
  F      -7.904371     -0.755762      1.708791
  C      -5.941345      0.531605      2.042444
  C      -5.357172     -0.457938      3.002439
  O      -5.681098     -1.665555      3.029486
  N      -4.356532      0.080236      3.829694
  C      -3.643962     -0.725056      4.647127
  C      -5.239261      1.677612      1.673652
  C      -7.212895     10.086927     -1.351367
  C      -7.044884      8.766383     -0.620863
  O      -7.626429      7.742123     -1.012486
  C      -6.153963      8.731988      0.583563
  C      -5.345591      9.824999      0.975339
  C      -4.512903      9.719078      2.090514
  C      -4.476190      8.519610      2.809777
  F      -3.663963      8.487748      3.892710
  C      -5.269177      7.402536      2.456715
  C      -5.294352      6.056597      3.135898
  O      -6.274000      5.310266      2.968287
  N      -4.163608      5.745916      3.877639
  C      -4.007910      4.463165      4.119316
  C      -6.110196      7.555385      1.344361
  C     -13.126787     -1.021658      2.203448
  C     -12.036759     -1.140972      3.264131
  O     -11.976460     -2.111783      4.004612
  C     -11.039499     -0.036749      3.377814
  C     -11.071800      1.080832      2.542615
  C     -10.118072      2.083070      2.671869
  C      -9.114504      1.942753      3.649490
  F      -8.213410      2.933204      3.747596
  C      -9.041636      0.842628      4.511518
  C      -8.010450      0.673025      5.599819
  O      -8.272471     -0.006625      6.583712
  N      -6.792759      1.269806      5.348813
  C      -6.099985      1.676901      6.386369
  C     -10.031413     -0.125849      4.356527
  H      -6.283528      5.103614     -0.584160
  H      -4.544016      5.422614     -0.901742
  H      -5.377485      4.030384     -1.691655
  H      -7.375446      3.065090     -0.578490
  H      -8.668251      1.036049      0.067571
  H      -3.748914     -1.817343      4.688253
  H      -4.250864      1.858774      2.088995
  H      -7.556792     10.880674     -0.662320
  H      -6.249874     10.422816     -1.775203
  H      -7.938191      9.954930     -2.165201
  H      -5.359042     10.761691      0.412191
  H      -3.884557     10.553242      2.420040
  H      -4.707394      3.712537      3.660609
  H      -6.754622      6.714642      1.070275
  H     -13.787465     -1.909750      2.289252
  H     -12.677435     -0.984200      1.162811
  H     -13.722537     -0.072360      2.341815
  H     -11.842121      1.174162      1.786746
  H     -10.114216      2.956067      2.035321
  H      -6.590540      1.757394      7.375529
  H     -10.016524     -0.962947      5.012798
  N      -1.953496      1.763254      3.381397
  N      -1.109918      1.646900      2.646896
88
Coordinates from ORCA-job orca E -6723.627681099751
  N      -2.855367     -0.000476      5.374186
  Mo     -3.432526      1.881304      4.747893
  N      -4.840328      2.067984      6.287234
  C      -4.304464      2.773370      7.449118
  C      -2.895907      2.282857      7.738213
  N      -2.056733      2.176812      6.484908
  C      -1.135172      0.996928      6.602650
  C      -1.933565     -0.292080      6.434286
  C      -1.237309      3.410528      6.232333
  C      -2.113156      4.537294      5.703071
  N      -3.082403      3.889501      4.849308
  H      -1.259916     -1.125614      6.186131
  H      -2.473107     -0.563805      7.356778
  H      -0.405860      1.079333      5.787385
  H      -0.600569      1.031384      7.565208
  H      -2.621672      5.093360      6.507680
  H      -1.509376      5.267115      5.140679
  H      -0.700434      3.696097      7.150881
  H      -0.501919      3.136212      5.465550
  H      -4.925495      2.612022      8.346638
  H      -4.304640      3.857407      7.250426
  H      -2.961870      1.275753      8.166606
  H      -2.378103      2.929676      8.463497
  C      -5.250297      4.651313     -0.796666
  C      -4.799042      3.783757      0.352587
  O      -3.703061      4.030375      0.942929
  C      -5.663714      2.605043      0.735141
  C      -6.911414      2.380434      0.171537
  C      -7.651042      1.255741      0.522615
  C      -7.140099      0.346962      1.434836
  F      -7.884597     -0.727993      1.738397
  C      -5.909161      0.539703      2.046702
  C      -5.340625     -0.451993      2.999229
  O      -5.681237     -1.656969      3.032987
  N      -4.355769      0.074632      3.823683
  C      -3.666576     -0.733783      4.637388
  C      -5.192225      1.681580      1.670168
  C      -7.217599     10.104145     -1.325033
  C      -7.036217      8.783772     -0.618604
  O      -7.603163      7.767918     -1.029656
  C      -6.151069      8.737577      0.585069
  C      -5.361953      9.823949      0.997376
  C      -4.535586      9.709121      2.110998
  C      -4.487217      8.505771      2.808503
  F      -3.684124      8.466083      3.891178
  C      -5.260538      7.395050      2.434219
  C      -5.275212      6.046983      3.092006
  O      -6.248098      5.300789      2.919658
  N      -4.150396      5.739759      3.845808
  C      -4.000854      4.457935      4.093130
  C      -6.094698      7.556319      1.323191
  C     -13.110251     -1.067811      2.288832
  C     -12.017548     -1.158303      3.319676
  O     -11.934155     -2.122948      4.046726
  C     -11.038490     -0.048518      3.411449
  C     -11.095697      1.071520      2.573978
  C     -10.155461      2.078964      2.681806
  C      -9.154475      1.973655      3.618938
  F      -8.280123      2.988833      3.684604
  C      -9.055071      0.870553      4.480761
  C      -8.014315      0.705784      5.547761
  O      -8.262494      0.009538      6.530701
  N      -6.804430      1.296229      5.299473
  C      -6.120606      1.696689      6.344689
  C     -10.023545     -0.123183      4.361191
  H      -6.231373      5.093485     -0.608707
  H      -4.524601      5.452764     -0.962195
  H      -5.343290      4.049057     -1.703434
  H      -7.319447      3.088966     -0.545736
  H      -8.632876      1.070467      0.112881
  H      -3.776862     -1.826270      4.680593
  H      -4.201440      1.852868      2.073859
  H      -7.572504     10.876341     -0.630511
  H      -6.258870     10.456028     -1.735108
  H      -7.937753      9.977790     -2.141174
  H      -5.385731     10.763835      0.452019
  H      -3.921368     10.539412      2.456723
  H      -4.702560      3.708395      3.629328
  H      -6.723524      6.718926      1.031355
  H     -13.770900     -1.920625      2.368735
  H     -12.683641     -1.043525      1.297012
  H     -13.685821     -0.165332      2.407193
  H     -11.883662      1.169336      1.826064
  H     -10.176127      2.967629      2.034938
  H      -6.618603      1.779910      7.328729
  H      -9.973919     -1.004726      5.046141
  N      -1.954788      1.739199      3.377253
  N      -1.088540      1.607952      2.642849
88
Coordinates from ORCA-job orca E -6723.627144090772
  N      -2.833232      0.010371      5.369847
  Mo     -3.427518      1.889530      4.745245
  N      -4.833093      2.066066      6.287454
  C      -4.296921      2.778564      7.446669
  C      -2.880975      2.299102      7.731540
  N      -2.046061      2.198953      6.475859
  C      -1.112522      1.025721      6.590124
  C      -1.901952     -0.272931      6.425201
  C      -1.237532      3.439017      6.219492
  C      -2.125370      4.559144      5.692727
  N      -3.093601      3.903687      4.841669
  H      -1.220746     -1.100050      6.172440
  H      -2.434211     -0.551670      7.349483
  H      -0.388394      1.113728      5.772117
  H      -0.571973      1.065130      7.549712
  H      -2.635147      5.111552      6.498722
  H      -1.529453      5.293576      5.129040
  H      -0.698015      3.728785      7.135601
  H      -0.503567      3.169793      5.450685
  H      -4.912271      2.612415      8.346846
  H      -4.309006      3.863338      7.246130
  H      -2.936553      1.291490      8.161425
  H      -2.365104      2.950386      8.453713
  C      -5.276245      4.629290     -0.762295
  C      -4.845599      3.730779      0.392792
  O      -3.789744      3.937795      1.039403
  C      -5.698959      2.563188      0.741632
  C      -6.977556      2.330415      0.161522
  C      -7.716491      1.207499      0.512184
  C      -7.178044      0.305963      1.435779
  F      -7.931773     -0.765787      1.745154
  C      -5.909527      0.512809      2.056559
  C      -5.310618     -0.452500      3.019554
  O      -5.595521     -1.609158      3.058507
  N      -4.337704      0.072794      3.831327
  C      -3.639113     -0.723209      4.640836
  C      -5.199922      1.653330      1.680495
  C      -7.137604     10.155542     -1.336816
  C      -6.984948      8.826126     -0.635390
  O      -7.545291      7.827622     -1.056421
  C      -6.125076      8.762763      0.578597
  C      -5.336288      9.841456      1.001637
  C      -4.531202      9.716154      2.120537
  C      -4.503050      8.509172      2.812981
  F      -3.717278      8.459219      3.901261
  C      -5.274896      7.405669      2.430262
  C      -5.297679      6.055817      3.088518
  O      -6.259580      5.309538      2.906024
  N      -4.174700      5.749990      3.839496
  C      -4.018380      4.467888      4.087020
  C      -6.090873      7.575429      1.313308
  C     -13.153279     -1.077573      2.252535
  C     -12.055725     -1.186196      3.290815
  O     -11.993407     -2.168813      4.014683
  C     -11.058920     -0.064130      3.399523
  C     -11.103497      1.076780      2.570728
  C     -10.138906      2.078134      2.702649
  C      -9.130433      1.950512      3.650206
  F      -8.231899      2.965746      3.738852
  C      -9.050148      0.837670      4.498800
  C      -8.003976      0.657146      5.570614
  O      -8.252207     -0.067232      6.576208
  N      -6.797297      1.272248      5.309342
  C      -6.113346      1.681750      6.349077
  C     -10.041026     -0.152604      4.355462
  H      -6.260316      5.068981     -0.587849
  H      -4.534870      5.427477     -0.896135
  H      -5.357995      4.055573     -1.698473
  H      -7.408318      3.032326     -0.557942
  H      -8.724898      1.018807      0.098428
  H      -3.739620     -1.810496      4.688773
  H      -4.188412      1.835724      2.091770
  H      -7.499898     10.930093     -0.644313
  H      -6.165093     10.498385     -1.728355
  H      -7.842006     10.042618     -2.164742
  H      -5.342990     10.785873      0.457600
  H      -3.915032     10.542441      2.475944
  H      -4.715454      3.713742      3.625081
  H      -6.722141      6.740202      1.011156
  H     -13.807222     -1.974510      2.340988
  H     -12.720682     -1.030766      1.220651
  H     -13.747173     -0.144806      2.405617
  H     -11.893161      1.186466      1.814518
  H     -10.147411      2.962893      2.072082
  H      -6.608174      1.758591      7.334083
  H     -10.003577     -1.032401      5.022204
  N      -1.954474      1.758182      3.369306
  N      -1.100467      1.639692      2.633344
88
Coordinates from ORCA-job orca E -6723.627774615125
  N      -2.811187      0.008359      5.386547
  Mo     -3.422014      1.879503      4.754100
  N      -4.822888      2.048361      6.302671
  C      -4.287856      2.764953      7.458382
  C      -2.866187      2.297384      7.737661
  N      -2.035133      2.200967      6.478853
  C      -1.092677      1.035350      6.595005
  C      -1.876263     -0.267989      6.440179
  C      -1.234027      3.447763      6.213944
  C      -2.131466      4.561369      5.688590
  N      -3.100613      3.896948      4.842785
  H      -1.189800     -1.093805      6.187241
  H      -2.405599     -0.546738      7.369849
  H      -0.370815      1.126376      5.772951
  H      -0.549352      1.082095      7.552650
  H      -2.641945      5.112918      6.494779
  H      -1.540985      5.298378      5.119478
  H      -0.692678      3.744503      7.127098
  H      -0.500313      3.181855      5.442754
  H      -4.900306      2.596072      8.360130
  H      -4.306788      3.849480      7.256476
  H      -2.912295      1.289622      8.170085
  H      -2.351418      2.954337      8.456268
  C      -5.280606      4.609146     -0.748022
  C      -4.860608      3.730007      0.386699
  O      -3.848977      3.930909      0.977937
  C      -5.716783      2.561914      0.746225
  C      -6.973869      2.323803      0.166862
  C      -7.705170      1.188609      0.518684
  C      -7.180891      0.284415      1.437226
  F      -7.916098     -0.801125      1.737627
  C      -5.935403      0.495103      2.057651
  C      -5.338746     -0.487266      3.011259
  O      -5.643253     -1.676714      3.043122
  N      -4.343533      0.058711      3.834211
  C      -3.621991     -0.737820      4.658182
  C      -5.232884      1.645267      1.684950
  C      -7.168168     10.155042     -1.347836
  C      -7.003030      8.827444     -0.633635
  O      -7.563437      7.820552     -1.047406
  C      -6.134385      8.771131      0.580863
  C      -5.341031      9.854189      0.996690
  C      -4.525965      9.730174      2.117576
  C      -4.492528      8.522965      2.820118
  F      -3.697451      8.473991      3.910123
  C      -5.271976      7.415510      2.444682
  C      -5.300457      6.063376      3.107182
  O      -6.275674      5.323600      2.922033
  N      -4.176640      5.743950      3.854289
  C      -4.027538      4.458587      4.093795
  C      -6.095365      7.585449      1.326137
  C     -13.151636     -1.033328      2.230101
  C     -12.057194     -1.150872      3.272962
  O     -11.996747     -2.167413      4.025398
  C     -11.050952     -0.044590      3.380919
  C     -11.084997      1.099089      2.538389
  C     -10.123326      2.099646      2.663997
  C      -9.112390      1.938932      3.642196
  F      -8.206694      2.935163      3.737850
  C      -9.043032      0.822562      4.503045
  C      -8.007944      0.644910      5.576741
  O      -8.268334     -0.057426      6.562503
  N      -6.790531      1.251524      5.329752
  C      -6.102631      1.658013      6.368958
  C     -10.038397     -0.146688      4.351878
  H      -6.274356      5.077351     -0.558354
  H      -4.532086      5.401745     -0.878312
  H      -5.370409      4.005883     -1.678038
  H      -7.385342      3.027601     -0.553843
  H      -8.686239      0.992368      0.102961
  H      -3.717617     -1.833331      4.708384
  H      -4.239286      1.829272      2.093935
  H      -7.529376     10.932646     -0.659162
  H      -6.204336     10.498849     -1.744764
  H      -7.875246     10.037721     -2.175531
  H      -5.351325     10.797715      0.445663
  H      -3.908008     10.556451      2.465557
  H      -4.725581      3.710014      3.631351
  H      -6.728581      6.751053      1.032824
  H     -13.818231     -1.886327      2.311417
  H     -12.715802     -1.006013      1.232797
  H     -13.734018     -0.111907      2.354518
  H     -11.859330      1.205705      1.785202
  H     -10.120538      2.985938      2.026104
  H      -6.595645      1.734345      7.356740
  H     -10.022891     -0.985729      4.998574
  N      -1.955832      1.756822      3.372437
  N      -1.120384      1.643145      2.638583
88
Coordinates from ORCA-job orca E -6723.628892565366
  N      -2.826043     -0.002350      5.383135
  Mo     -3.417593      1.875335      4.753104
  N      -4.836423      2.053813      6.286206
  C      -4.307371      2.761817      7.449938
  C      -2.895046      2.281655      7.743336
  N      -2.051114      2.182351      6.494331
  C      -1.118164      1.010413      6.614316
  C      -1.904218     -0.287603      6.443101
  C      -1.241638      3.423785      6.245554
  C      -2.125362      4.544319      5.712748
  N      -3.086567      3.889082      4.852479
  H      -1.220330     -1.115629      6.194544
  H      -2.443200     -0.567108      7.363821
  H      -0.387156      1.099204      5.801162
  H      -0.585897      1.049168      7.577024
  H      -2.642944      5.096233      6.515419
  H      -1.524224      5.279815      5.155121
  H      -0.710533      3.714198      7.165757
  H      -0.500797      3.155991      5.481890
  H      -4.929871      2.594917      8.344863
  H      -4.316094      3.846182      7.252311
  H      -2.955221      1.274077      8.171909
  H      -2.385484      2.932761      8.470142
  C      -5.300379      4.646215     -0.766778
  C      -4.836043      3.762583      0.364723
  O      -3.782690      3.987790      0.957274
  C      -5.676025      2.588171      0.724473
  C      -6.943998      2.359993      0.158024
  C      -7.674697      1.231406      0.503344
  C      -7.138258      0.325285      1.413480
  F      -7.880054     -0.752712      1.718691
  C      -5.888738      0.523496      2.027568
  C      -5.306946     -0.466662      2.987988
  O      -5.649563     -1.689224      3.005279
  N      -4.324270      0.066109      3.825764
  C      -3.628778     -0.738249      4.647559
  C      -5.178274      1.667336      1.653808
  C      -7.202838     10.111328     -1.334490
  C      -7.039185      8.789465     -0.615462
  O      -7.631391      7.767800     -1.010809
  C      -6.142091      8.746060      0.583579
  C      -5.335872      9.834260      0.986711
  C      -4.502609      9.719526      2.100169
  C      -4.462598      8.515418      2.805776
  F      -3.650701      8.476207      3.887510
  C      -5.250876      7.402314      2.438322
  C      -5.272714      6.052137      3.099227
  O      -6.249634      5.305094      2.924561
  N      -4.151709      5.739798      3.854521
  C      -4.004152      4.456145      4.095133
  C      -6.092318      7.564339      1.328339
  C     -13.118261     -1.045703      2.276199
  C     -12.015556     -1.153942      3.316891
  O     -11.922152     -2.113680      4.050643
  C     -11.045053     -0.042495      3.404501
  C     -11.114023      1.068787      2.569240
  C     -10.183558      2.077976      2.672502
  C      -9.177763      1.981024      3.606406
  F      -8.311205      2.995503      3.671154
  C      -9.062898      0.875762      4.472057
  C      -8.012110      0.704681      5.543684
  O      -8.250751      0.016482      6.527485
  N      -6.803249      1.282189      5.297960
  C      -6.115988      1.682535      6.343049
  C     -10.024347     -0.115425      4.352968
  H      -6.290136      5.066000     -0.579700
  H      -4.596753      5.451428     -0.907075
  H      -5.377243      4.073792     -1.683820
  H      -7.376493      3.067088     -0.551071
  H      -8.675434      1.042853      0.096730
  H      -3.729806     -1.827881      4.692347
  H      -4.174455      1.844391      2.056303
  H      -7.539436     10.900510     -0.640225
  H      -6.239505     10.446139     -1.759494
  H      -7.933227      9.985337     -2.143992
  H      -5.353051     10.774211      0.436042
  H      -3.876784     10.550156      2.438798
  H      -4.699906      3.710538      3.625694
  H      -6.731947      6.726354      1.042508
  H     -13.766133     -1.921541      2.363347
  H     -12.689701     -1.007296      1.246559
  H     -13.713319     -0.117572      2.413162
  H     -11.901594      1.156625      1.829946
  H     -10.211588      2.952871      2.031850
  H      -6.613874      1.767788      7.326003
  H      -9.963016     -0.992665      5.033303
  N      -1.931344      1.742826      3.388746
  N      -1.069981      1.620315      2.662236
88
Coordinates from ORCA-job orca E -6723.628955581336
  N      -2.832320      0.006269      5.394930
  Mo     -3.435956      1.876412      4.749497
  N      -4.825997      2.070814      6.301086
  C      -4.282549      2.794053      7.449916
  C      -2.864762      2.320057      7.728589
  N      -2.040010      2.207351      6.466665
  C      -1.103787      1.039134      6.590594
  C      -1.891458     -0.261370      6.448796
  C      -1.235086      3.445787      6.188140
  C      -2.127513      4.557228      5.654719
  N      -3.101932      3.892642      4.818267
  H      -1.212039     -1.088742      6.203126
  H      -2.416071     -0.528269      7.381409
  H      -0.386063      1.119391      5.765706
  H      -0.556629      1.092342      7.547946
  H      -2.630095      5.117968      6.457790
  H      -1.537415      5.286081      5.076784
  H      -0.689034      3.747204      7.097717
  H      -0.507021      3.168827      5.416253
  H      -4.890468      2.634921      8.356959
  H      -4.297414      3.876836      7.239107
  H      -2.914352      1.317359      8.170532
  H      -2.343538      2.980077      8.439644
  C      -5.366048      4.590384     -0.763163
  C      -4.897656      3.715526      0.387243
  O      -3.800861      3.956353      0.982185
  C      -5.741940      2.532626      0.776115
  C      -6.991999      2.290681      0.217703
  C      -7.711153      1.159679      0.580335
  C      -7.177856      0.261541      1.498682
  F      -7.904825     -0.819296      1.814966
  C      -5.940433      0.474068      2.102971
  C      -5.347131     -0.496882      3.060925
  O      -5.648621     -1.685043      3.105427
  N      -4.357173      0.044082      3.866808
  C      -3.649814     -0.744480      4.679480
  C      -5.245718      1.621611      1.714166
  C      -7.146978     10.197546     -1.321188
  C      -6.992736      8.865149     -0.628199
  O      -7.562462      7.868747     -1.055474
  C      -6.125436      8.788552      0.581785
  C      -5.331876      9.859227      1.011039
  C      -4.521118      9.721151      2.127113
  C      -4.492717      8.509923      2.810672
  F      -3.702958      8.448248      3.896501
  C      -5.270051      7.413827      2.421029
  C      -5.298176      6.059776      3.069262
  O      -6.270836      5.321078      2.884018
  N      -4.173997      5.741926      3.818232
  C      -4.029004      4.459098      4.068381
  C      -6.089745      7.597335      1.306826
  C     -13.112109     -1.042475      2.154576
  C     -12.038676     -1.158510      3.207456
  O     -11.997258     -2.146840      3.910612
  C     -11.029825     -0.047548      3.358409
  C     -11.048422      1.104766      2.552924
  C     -10.076734      2.100913      2.722634
  C      -9.081284      1.941980      3.693341
  F      -8.174019      2.946008      3.823701
  C      -9.027658      0.825382      4.512509
  C      -7.999681      0.634776      5.586159
  O      -8.257397     -0.095767      6.554075
  N      -6.789570      1.270279      5.334213
  C      -6.105132      1.686912      6.370894
  C     -10.026687     -0.156521      4.331699
  H      -6.352272      5.030679     -0.551687
  H      -4.624078      5.400035     -0.940148
  H      -5.479785      3.985256     -1.690347
  H      -7.416885      2.990010     -0.502983
  H      -8.693263      0.961848      0.176330
  H      -3.750360     -1.835832      4.739204
  H      -4.251232      1.808289      2.110976
  H      -7.504071     10.967042     -0.625946
  H      -6.177232     10.538162     -1.711801
  H      -7.855518     10.094271     -2.146885
  H      -5.339076     10.806002      0.474911
  H      -3.902152     10.539908      2.486314
  H      -4.735387      3.708660      3.612763
  H      -6.721992      6.769663      0.999689
  H     -13.784870     -1.923773      2.204233
  H     -12.668157     -0.989003      1.153661
  H     -13.680951     -0.130269      2.301868
  H     -11.827967      1.238454      1.780616
  H     -10.066071      3.010259      2.103596
  H      -6.596347      1.765209      7.358783
  H     -10.013504     -1.042165      4.978483
  N      -1.977173      1.730487      3.362703
  N      -1.126707      1.598468      2.613876
88
Coordinates from ORCA-job orca E -6723.629225470092
  N      -2.794661      0.006334      5.362951
  Mo     -3.420079      1.874537      4.735727
  N      -4.843528      2.021966      6.265274
  C      -4.328964      2.736236      7.431924
  C      -2.904730      2.282432      7.724751
  N      -2.056624      2.203243      6.475258
  C      -1.098920      1.047247      6.592201
  C      -1.864636     -0.267063      6.422006
  C      -1.268130      3.461495      6.227625
  C      -2.174799      4.567171      5.699628
  N      -3.125141      3.896152      4.837411
  H      -1.164095     -1.084713      6.167978
  H      -2.399986     -0.560026      7.345450
  H      -0.368797      1.152156      5.778276
  H      -0.564574      1.095294      7.553486
  H      -2.703952      5.107956      6.502489
  H      -1.585778      5.315833      5.143953
  H      -0.740862      3.759530      7.147547
  H      -0.521190      3.209365      5.464499
  H      -4.950682      2.554039      8.324702
  H      -4.358508      3.822246      7.238311
  H      -2.944975      1.270717      8.150485
  H      -2.406659      2.941046      8.453336
  C      -5.206407      4.641200     -0.730805
  C      -4.784430      3.743414      0.397984
  O      -3.745333      3.946491      1.019101
  C      -5.650029      2.567565      0.737562
  C      -6.916648      2.335302      0.156576
  C      -7.661580      1.202216      0.499332
  C      -7.136464      0.291867      1.411448
  F      -7.888037     -0.788756      1.708380
  C      -5.878654      0.496515      2.030768
  C      -5.273728     -0.481516      2.977009
  O      -5.541426     -1.643652      3.004830
  N      -4.307204      0.055521      3.804281
  C      -3.590577     -0.737402      4.626665
  C      -5.167445      1.644823      1.667006
  C      -7.113594     10.186933     -1.357586
  C      -6.974666      8.854262     -0.645341
  O      -7.541188      7.859982     -1.063873
  C      -6.119399      8.784198      0.574646
  C      -5.322979      9.859131      0.999080
  C      -4.520929      9.725253      2.123188
  C      -4.503033      8.514793      2.820067
  F      -3.717865      8.456785      3.912809
  C      -5.284234      7.414611      2.436214
  C      -5.320780      6.060634      3.092957
  O      -6.288230      5.323721      2.894578
  N      -4.204375      5.741742      3.849500
  C      -4.049022      4.456188      4.080265
  C      -6.096377      7.593661      1.314836
  C     -13.216517     -1.065591      2.373800
  C     -12.088245     -1.179596      3.380735
  O     -11.997328     -2.166568      4.137774
  C     -11.097381     -0.071594      3.433324
  C     -11.162365      1.057575      2.572511
  C     -10.210293      2.064463      2.649436
  C      -9.183530      1.934638      3.588413
  F      -8.292355      2.940009      3.632474
  C      -9.078710      0.822974      4.469800
  C      -8.018441      0.644951      5.527275
  O      -8.265838     -0.056846      6.544459
  N      -6.805714      1.233355      5.268698
  C      -6.124625      1.629730      6.315229
  C     -10.065475     -0.153655      4.368486
  H      -6.201163      5.093375     -0.548727
  H      -4.466476      5.442585     -0.844595
  H      -5.280521      4.056988     -1.667903
  H      -7.331958      3.044828     -0.556582
  H      -8.655951      1.013937      0.084677
  H      -3.675011     -1.830422      4.670979
  H      -4.165060      1.823112      2.077131
  H      -7.472408     10.969103     -0.668635
  H      -6.139217     10.518958     -1.746343
  H      -7.813253     10.079992     -2.191922
  H      -5.320545     10.806128      0.451461
  H      -3.899042     10.547072      2.478769
  H      -4.733679      3.706665      3.602450
  H      -6.734326      6.763113      1.014153
  H     -13.864992     -1.913441      2.498948
  H     -12.808110     -1.053559      1.362800
  H     -13.817676     -0.138686      2.499347
  H     -11.949681      1.141040      1.845900
  H     -10.231133      2.931065      1.999428
  H      -6.626995      1.700572      7.299030
  H     -10.019568     -0.995038      5.037235
  N      -1.933163      1.774279      3.371005
  N      -1.078679      1.675628      2.641665
88
Coordinates from ORCA-job orca E -6723.629101630988
  N      -2.821847      0.003065      5.400969
  Mo     -3.412237      1.874618      4.753842
  N      -4.821390      2.070897      6.294037
  C      -4.284191      2.788302      7.448627
  C      -2.871608      2.309133      7.736726
  N      -2.037777      2.195941      6.483428
  C      -1.108697      1.025850      6.612118
  C      -1.897702     -0.269944      6.459662
  C      -1.228699      3.432653      6.216306
  C      -2.111493      4.549000      5.677722
  N      -3.079592      3.889785      4.828161
  H      -1.218906     -1.099380      6.217007
  H      -2.430321     -0.536316      7.384775
  H      -0.383958      1.103445      5.794105
  H      -0.573223      1.074551      7.572462
  H      -2.621816      5.108827      6.478398
  H      -1.512740      5.277061      5.109595
  H      -0.691930      3.730996      7.130864
  H      -0.493697      3.156090      5.450136
  H      -4.900341      2.629711      8.349286
  H      -4.293005      3.870331      7.241369
  H      -2.930075      1.307530      8.176358
  H      -2.355415      2.966363      8.453187
  C      -5.358079      4.595210     -0.724231
  C      -4.901750      3.696789      0.390175
  O      -3.879646      3.891549      0.973809
  C      -5.730888      2.527627      0.745724
  C      -7.002919      2.284337      0.178644
  C      -7.712612      1.148222      0.530080
  C      -7.163040      0.251114      1.446207
  F      -7.885673     -0.834425      1.755907
  C      -5.912304      0.468713      2.061435
  C      -5.317846     -0.503790      3.030113
  O      -5.646247     -1.713365      3.063283
  N      -4.334315      0.048202      3.851921
  C      -3.630816     -0.744153      4.679935
  C      -5.218489      1.617340      1.679127
  C      -7.222456     10.153862     -1.298503
  C      -7.043889      8.831112     -0.597539
  O      -7.633459      7.819913     -0.998409
  C      -6.134057      8.778876      0.592567
  C      -5.327087      9.863211      1.000373
  C      -4.482374      9.740550      2.104998
  C      -4.433863      8.533909      2.799395
  F      -3.612934      8.488174      3.875561
  C      -5.225142      7.424496      2.429224
  C      -5.249194      6.071299      3.083301
  O      -6.227488      5.328769      2.903622
  N      -4.130079      5.749500      3.833690
  C      -3.997801      4.461782      4.074693
  C      -6.074564      7.593689      1.325664
  C     -13.102702     -1.045346      2.170261
  C     -12.032268     -1.131651      3.232592
  O     -11.970379     -2.129873      3.974910
  C     -11.039014     -0.018143      3.358924
  C     -11.082901      1.107184      2.529728
  C     -10.135338      2.108123      2.667486
  C      -9.137167      1.989968      3.629946
  F      -8.252059      2.998323      3.729323
  C      -9.047526      0.874463      4.488541
  C      -8.008195      0.700904      5.569189
  O      -8.257477      0.005478      6.547641
  N      -6.794324      1.292738      5.323629
  C      -6.101790      1.702047      6.360006
  C     -10.025018     -0.112037      4.336152
  H      -6.347865      5.024414     -0.529206
  H      -4.651973      5.393558     -0.843733
  H      -5.437007      4.035802     -1.651272
  H      -7.442530      2.983895     -0.534149
  H      -8.707587      0.946945      0.123939
  H      -3.734713     -1.837185      4.738211
  H      -4.215857      1.808290      2.079438
  H      -7.554917     10.927880     -0.593412
  H      -6.267848     10.499535     -1.724455
  H      -7.959798     10.033237     -2.104206
  H      -5.352285     10.806175      0.458980
  H      -3.855082     10.567839      2.446877
  H      -4.702063      3.723013      3.610870
  H      -6.715304      6.758154      1.036348
  H     -13.765253     -1.939771      2.229017
  H     -12.643130     -0.999198      1.158748
  H     -13.687961     -0.128645      2.300406
  H     -11.864832      1.214640      1.767617
  H     -10.144302      2.989490      2.034451
  H      -6.593066      1.792393      7.345112
  H      -9.984874     -0.987734      5.000846
  N      -1.938264      1.726670      3.379773
  N      -1.097989      1.597222      2.650995
88
Coordinates from ORCA-job orca E -6723.629728157764
  N      -2.799602      0.002667      5.393663
  Mo     -3.426085      1.866460      4.745916
  N      -4.836723      2.041593      6.282163
  C      -4.313449      2.765852      7.439346
  C      -2.890835      2.310210      7.730266
  N      -2.051197      2.213291      6.477108
  C      -1.096143      1.057651      6.606243
  C      -1.863557     -0.256044      6.452721
  C      -1.261687      3.465126      6.210666
  C      -2.165520      4.565900      5.670816
  N      -3.122257      3.890019      4.819781
  H      -1.168503     -1.075323      6.209761
  H      -2.394002     -0.534688      7.379961
  H      -0.370168      1.151083      5.788851
  H      -0.558205      1.117205      7.567572
  H      -2.686234      5.118278      6.469932
  H      -1.578254      5.305569      5.102740
  H      -0.729778      3.772674      7.126274
  H      -0.520568      3.200364      5.446697
  H      -4.928914      2.594185      8.338727
  H      -4.341092      3.849762      7.234014
  H      -2.930901      1.304775      8.168413
  H      -2.386306      2.975425      8.448197
  C      -5.378049      4.609881     -0.756295
  C      -4.897395      3.733957      0.381210
  O      -3.819336      3.980498      0.959918
  C      -5.731999      2.543180      0.766656
  C      -6.990865      2.298798      0.211252
  C      -7.706469      1.160196      0.565884
  C      -7.157139      0.259410      1.473286
  F      -7.879783     -0.829257      1.784143
  C      -5.908863      0.472941      2.074323
  C      -5.303326     -0.509611      3.025809
  O      -5.621204     -1.730834      3.045246
  N      -4.314981      0.033365      3.854674
  C      -3.602153     -0.753178      4.673192
  C      -5.220383      1.627852      1.694837
  C      -7.088484     10.222807     -1.346609
  C      -6.964270      8.886769     -0.638903
  O      -7.557365      7.884762     -1.057808
  C      -6.101273      8.805794      0.574533
  C      -5.296572      9.873330      1.004984
  C      -4.493295      9.728465      2.128051
  C      -4.480622      8.514047      2.815462
  F      -3.695031      8.445937      3.905939
  C      -5.266719      7.420427      2.421154
  C      -5.305547      6.062378      3.064516
  O      -6.283370      5.325877      2.871840
  N      -4.190979      5.737369      3.824318
  C      -4.045540      4.453534      4.064277
  C      -6.080828      7.612238      1.302551
  C     -13.141183     -1.025926      2.237497
  C     -12.026079     -1.195432      3.278837
  O     -11.947304     -2.164337      3.982807
  C     -11.035871     -0.094064      3.397284
  C     -11.090220      1.054392      2.586092
  C     -10.141655      2.060903      2.720940
  C      -9.134149      1.923046      3.659559
  F      -8.256443      2.948368      3.753631
  C      -9.043732      0.804103      4.485094
  C      -8.000845      0.620288      5.538283
  O      -8.241864     -0.110621      6.498581
  N      -6.794275      1.245692      5.293604
  C      -6.114449      1.654620      6.339054
  C     -10.020848     -0.185429      4.337562
  H      -6.365456      5.034657     -0.533144
  H      -4.645529      5.430055     -0.936971
  H      -5.490684      4.008007     -1.683367
  H      -7.427223      3.001156     -0.499950
  H      -8.699246      0.959038      0.166072
  H      -3.687558     -1.842324      4.729238
  H      -4.217987      1.817877      2.087443
  H      -7.434400     11.011125     -0.658800
  H      -6.109086     10.541940     -1.740451
  H      -7.795498     10.124671     -2.172629
  H      -5.290655     10.821035      0.466592
  H      -3.868264     10.543012      2.488015
  H      -4.739707      3.704884      3.593985
  H      -6.717740      6.788556      0.992913
  H     -13.799809     -1.880384      2.304916
  H     -12.742818     -0.971232      1.204335
  H     -13.711327     -0.088923      2.405245
  H     -11.883619      1.181125      1.835415
  H     -10.162917      2.977647      2.092921
  H      -6.612853      1.726913      7.323736
  H      -9.985434     -1.053149      4.978172
  N      -1.950053      1.742311      3.373948
  N      -1.091731      1.623249      2.634703
88
Coordinates from ORCA-job orca E -6723.629937498682
  N      -2.801217      0.002239      5.380470
  Mo     -3.428137      1.865881      4.738128
  N      -4.838426      2.031947      6.275811
  C      -4.314555      2.754645      7.433575
  C      -2.890472      2.301039      7.720983
  N      -2.052119      2.208357      6.465957
  C      -1.096201      1.053858      6.590439
  C      -1.863769     -0.259745      6.438717
  C      -1.263616      3.461921      6.200470
  C      -2.170634      4.562874      5.667532
  N      -3.127959      3.888108      4.817281
  H      -1.167176     -1.078457      6.190690
  H      -2.392437     -0.541283      7.368637
  H      -0.372144      1.149755      5.770626
  H      -0.556350      1.111426      7.549991
  H      -2.691400      5.111155      6.468801
  H      -1.585103      5.305424      5.100525
  H      -0.729726      3.767291      7.115004
  H      -0.523292      3.201530      5.434060
  H      -4.929245      2.579865      8.333026
  H      -4.344333      3.838961      7.230940
  H      -2.928734      1.294198      8.157527
  H      -2.385875      2.965510      8.439902
  C      -5.313586      4.612201     -0.722447
  C      -4.840323      3.718873      0.404156
  O      -3.754080      3.945591      1.004325
  C      -5.685821      2.530700      0.766221
  C      -6.936560      2.290965      0.199701
  C      -7.665552      1.154768      0.551081
  C      -7.138099      0.249937      1.463113
  F      -7.877511     -0.832972      1.771206
  C      -5.896531      0.460438      2.071500
  C      -5.296554     -0.512633      3.021799
  O      -5.566155     -1.690493      3.057245
  N      -4.323602      0.032681      3.838638
  C      -3.605904     -0.751939      4.657618
  C      -5.196901      1.611496      1.696115
  C      -7.112952     10.226960     -1.336686
  C      -6.978470      8.890802     -0.634722
  O      -7.560118      7.900195     -1.056722
  C      -6.111880      8.808019      0.577536
  C      -5.305657      9.875518      1.004470
  C      -4.496436      9.731101      2.122830
  C      -4.481955      8.517099      2.811737
  F      -3.691044      8.449967      3.899524
  C      -5.272020      7.423620      2.424441
  C      -5.315453      6.066681      3.074273
  O      -6.289351      5.335169      2.873405
  N      -4.198807      5.738783      3.829487
  C      -4.053290      4.452887      4.064086
  C      -6.089822      7.613513      1.308180
  C     -13.167101     -1.090407      2.285378
  C     -12.077986     -1.154514      3.295131
  O     -12.006447     -2.138546      4.027560
  C     -11.087968     -0.024230      3.380146
  C     -11.132221      1.107992      2.546818
  C     -10.170211      2.106794      2.665130
  C      -9.150792      1.954564      3.624010
  F      -8.241963      2.933541      3.717498
  C      -9.067012      0.845929      4.475083
  C      -8.011212      0.644091      5.546956
  O      -8.252503     -0.066231      6.542310
  N      -6.802471      1.240203      5.291258
  C      -6.119000      1.642750      6.334393
  C     -10.063325     -0.123949      4.335996
  H      -6.307639      5.038659     -0.512779
  H      -4.590886      5.428024     -0.864282
  H      -5.406134      4.033123     -1.657797
  H      -7.357173      2.996603     -0.514447
  H      -8.650577      0.960038      0.143868
  H      -3.692446     -1.844354      4.712108
  H      -4.203765      1.795343      2.097841
  H      -7.460804     11.007632     -0.641610
  H      -6.137950     10.553867     -1.729617
  H      -7.820880     10.129202     -2.165607
  H      -5.301294     10.824940      0.463862
  H      -3.867089     10.547314      2.480143
  H      -4.747413      3.706461      3.592302
  H      -6.732997      6.788178      1.003773
  H     -13.822334     -1.977626      2.383934
  H     -12.715548     -1.056028      1.297038
  H     -13.775495     -0.192436      2.410233
  H     -11.908439      1.196102      1.811243
  H     -10.170665      2.971154      2.038991
  H      -6.616878      1.718382      7.319946
  H     -10.022338     -1.008153      5.008860
  N      -1.953941      1.749828      3.363016
  N      -1.100075      1.639148      2.619542
88
Coordinates from ORCA-job orca E -6723.629676347943
  N      -2.796474      0.006065      5.395151
  Mo     -3.411049      1.868628      4.741865
  N      -4.824810      2.053129      6.276873
  C      -4.298551      2.777685      7.432340
  C      -2.880228      2.315889      7.723167
  N      -2.042075      2.211199      6.471097
  C      -1.096438      1.053581      6.603762
  C      -1.868287     -0.253433      6.454873
  C      -1.248082      3.457563      6.202348
  C      -2.144425      4.560972      5.660840
  N      -3.102943      3.889558      4.809556
  H      -1.177764     -1.074912      6.213231
  H      -2.398431     -0.525392      7.381020
  H      -0.370932      1.139224      5.786685
  H      -0.562202      1.112431      7.563843
  H      -2.663978      5.116325      6.458671
  H      -1.553024      5.295664      5.093272
  H      -0.716651      3.764384      7.116894
  H      -0.507426      3.188407      5.439003
  H      -4.914786      2.611351      8.331784
  H      -4.320707      3.859853      7.225240
  H      -2.926872      1.313669      8.164020
  H      -2.372713      2.980283      8.439444
  C      -5.308745      4.579857     -0.699278
  C      -4.860650      3.672961      0.408418
  O      -3.823108      3.863658      0.999682
  C      -5.703248      2.500520      0.762828
  C      -6.981702      2.254543      0.201357
  C      -7.696366      1.115161      0.556693
  C      -7.145703      0.215939      1.468804
  F      -7.871559     -0.870810      1.780330
  C      -5.888703      0.437818      2.076788
  C      -5.280330     -0.523767      3.036961
  O      -5.565225     -1.696775      3.081467
  N      -4.314005      0.032479      3.848704
  C      -3.600104     -0.751000      4.677596
  C      -5.193111      1.589059      1.692316
  C      -7.200850     10.195665     -1.306114
  C      -7.029330      8.869183     -0.612981
  O      -7.605604      7.877177     -1.027512
  C      -6.134592      8.801525      0.585029
  C      -5.337381      9.878398      1.007480
  C      -4.504163      9.745389      2.115436
  C      -4.458075      8.535457      2.799767
  F      -3.647467      8.480779      3.880135
  C      -5.240056      7.432878      2.416970
  C      -5.265307      6.076542      3.061505
  O      -6.236786      5.339852      2.866548
  N      -4.152690      5.751104      3.818277
  C      -4.022334      4.461250      4.053674
  C      -6.078368      7.611282      1.309397
  C     -13.181055     -0.970163      2.179979
  C     -12.077344     -1.136385      3.244508
  O     -12.025373     -2.153790      3.982287
  C     -11.059258     -0.053727      3.377581
  C     -11.093600      1.080665      2.557070
  C     -10.132777      2.084814      2.690037
  C      -9.131943      1.954679      3.641270
  F      -8.240401      2.976313      3.732913
  C      -9.047866      0.820502      4.494062
  C      -8.006337      0.643071      5.554571
  O      -8.261756     -0.079312      6.542931
  N      -6.791710      1.259328      5.301585
  C      -6.105846      1.672877      6.337178
  C     -10.038868     -0.165076      4.344596
  H      -6.298496      5.022966     -0.500510
  H      -4.593016      5.374230     -0.807492
  H      -5.389758      4.020537     -1.631746
  H      -7.421504      2.955022     -0.509245
  H      -8.693583      0.914096      0.155486
  H      -3.692121     -1.847653      4.739611
  H      -4.186218      1.779879      2.087414
  H      -7.543477     10.961014     -0.600162
  H      -6.243170     10.543272     -1.716005
  H      -7.927125     10.084589     -2.123414
  H      -5.360039     10.825505      0.472588
  H      -3.881993     10.568674      2.468679
  H      -4.721128      3.723130      3.582467
  H      -6.713735      6.778484      1.008807
  H     -13.853963     -1.826900      2.239562
  H     -12.773876     -0.930630      1.155072
  H     -13.732644     -0.031590      2.328911
  H     -11.879638      1.202591      1.800989
  H     -10.141141      2.984802      2.056634
  H      -6.600638      1.753759      7.322617
  H     -10.011033     -1.029639      4.991938
  N      -1.933235      1.735607      3.370510
  N      -1.090258      1.616033      2.640896
88
Coordinates from ORCA-job orca E -6723.629692131840
  N      -2.788790     -0.001175      5.395084
  Mo     -3.420871      1.858918      4.743995
  N      -4.839409      2.031443      6.274452
  C      -4.322150      2.757026      7.433138
  C      -2.898469      2.307439      7.727542
  N      -2.054756      2.212888      6.477349
  C      -1.095171      1.061887      6.609105
  C      -1.855574     -0.255497      6.454030
  C      -1.270649      3.468096      6.212024
  C      -2.176986      4.565023      5.668932
  N      -3.128405      3.885307      4.813568
  H      -1.156404     -1.073009      6.211885
  H      -2.386712     -0.536137      7.379927
  H      -0.367498      1.157425      5.793789
  H      -0.560928      1.124997      7.570215
  H      -2.703531      5.115879      6.466468
  H      -1.590361      5.307121      5.103459
  H      -0.743214      3.778945      7.128291
  H      -0.525824      3.206013      5.450383
  H      -4.939694      2.582904      8.330253
  H      -4.353700      3.840379      7.228284
  H      -2.936135      1.302936      8.166763
  H      -2.399197      2.975617      8.446022
  C      -5.393252      4.595620     -0.729199
  C      -4.920715      3.708029      0.393934
  O      -3.880658      3.929111      0.968187
  C      -5.751531      2.527252      0.768911
  C      -7.023440      2.283245      0.212188
  C      -7.730957      1.146378      0.563689
  C      -7.166742      0.247673      1.468408
  F      -7.882427     -0.840111      1.778104
  C      -5.907425      0.462380      2.070028
  C      -5.291516     -0.519524      3.021705
  O      -5.607094     -1.742560      3.032497
  N      -4.303267      0.025573      3.855435
  C      -3.585663     -0.757272      4.678239
  C      -5.226059      1.614883      1.693365
  C      -7.065321     10.246893     -1.339536
  C      -6.953601      8.909942     -0.629425
  O      -7.563420      7.910194     -1.040953
  C      -6.083217      8.825113      0.579781
  C      -5.267000      9.890153      1.008693
  C      -4.459685      9.740037      2.130227
  C      -4.452990      8.523653      2.816856
  F      -3.662100      8.450318      3.905578
  C      -5.249548      7.432121      2.422532
  C      -5.295409      6.071217      3.061302
  O      -6.276411      5.337533      2.862730
  N      -4.186701      5.738465      3.823541
  C      -4.048308      4.451645      4.056459
  C      -6.068085      7.629657      1.306565
  C     -13.106176     -1.109025      2.278637
  C     -12.007957     -1.192752      3.292025
  O     -11.905274     -2.172871      4.012028
  C     -11.042816     -0.065305      3.387385
  C     -11.125271      1.095551      2.558788
  C     -10.189229      2.094444      2.684787
  C      -9.170870      1.959790      3.620180
  F      -8.302271      2.974606      3.708556
  C      -9.058258      0.841110      4.456212
  C      -8.001695      0.649726      5.513224
  O      -8.228356     -0.073991      6.475357
  N      -6.797125      1.249263      5.277121
  C      -6.117309      1.648708      6.326728
  C     -10.021938     -0.146398      4.319944
  H      -6.380227      5.026152     -0.498040
  H      -4.655465      5.408018     -0.896668
  H      -5.510900      4.004138     -1.665071
  H      -7.469405      2.984631     -0.494433
  H      -8.730776      0.944593      0.165953
  H      -3.666529     -1.843675      4.736152
  H      -4.214895      1.806387      2.082840
  H      -7.398451     11.041426     -0.649810
  H      -6.083588     10.555870     -1.741583
  H      -7.778765     10.152623     -2.161287
  H      -5.256287     10.839045      0.471413
  H      -3.826905     10.551871      2.488897
  H      -4.740764      3.709826      3.581006
  H      -6.713486      6.808355      0.998598
  H     -13.745177     -2.001164      2.362252
  H     -12.656954     -1.043596      1.262988
  H     -13.729172     -0.205630      2.430056
  H     -11.929166      1.223351      1.807666
  H     -10.227937      3.002811      2.053139
  H      -6.618309      1.724861      7.308537
  H      -9.966689     -1.007758      4.961213
  N      -1.939821      1.738676      3.375726
  N      -1.089146      1.624108      2.644118
88
Coordinates from ORCA-job orca E -6723.630840884473
  N      -2.787830      0.003624      5.397874
  Mo     -3.424303      1.861269      4.742737
  N      -4.833174      2.033922      6.280673
  C      -4.310191      2.765274      7.434539
  C      -2.884484      2.318646      7.722854
  N      -2.047724      2.221190      6.467462
  C      -1.086419      1.072036      6.599763
  C      -1.847717     -0.246153      6.457361
  C      -1.265408      3.476984      6.193206
  C      -2.177720      4.570692      5.654036
  N      -3.133658      3.888208      4.806701
  H      -1.147876     -1.061614      6.214894
  H      -2.373227     -0.524020      7.388739
  H      -0.364098      1.165766      5.778674
  H      -0.545479      1.139123      7.560113
  H      -2.699495      5.120934      6.453095
  H      -1.596581      5.313279      5.082607
  H      -0.731811      3.790164      7.106451
  H      -0.525131      3.215156      5.427253
  H      -4.922174      2.592021      8.336306
  H      -4.345101      3.848873      7.226248
  H      -2.917609      1.314594      8.166276
  H      -2.381408      2.989836      8.436968
  C      -5.402520      4.602611     -0.711706
  C      -4.893615      3.708731      0.401444
  O      -3.803405      3.945377      0.972817
  C      -5.712043      2.508967      0.773750
  C      -6.958624      2.257169      0.215475
  C      -7.674469      1.110869      0.571552
  C      -7.136667      0.210982      1.482685
  F      -7.864968     -0.881742      1.798416
  C      -5.897532      0.432455      2.084936
  C      -5.296382     -0.542539      3.039746
  O      -5.584639     -1.755153      3.066181
  N      -4.314544      0.016012      3.861743
  C      -3.592806     -0.761610      4.682371
  C      -5.208323      1.592321      1.702731
  C      -7.099843     10.250812     -1.333631
  C      -6.972288      8.912703     -0.636060
  O      -7.568121      7.918636     -1.059445
  C      -6.101567      8.823596      0.573378
  C      -5.289284      9.887696      1.004152
  C      -4.478911      9.737008      2.122105
  C      -4.469334      8.520647      2.806232
  F      -3.677857      8.447709      3.893615
  C      -5.265107      7.430081      2.413902
  C      -5.314132      6.070308      3.059122
  O      -6.291679      5.337423      2.852582
  N      -4.199967      5.739078      3.817820
  C      -4.058583      4.453207      4.052943
  C      -6.083110      7.627089      1.297978
  C     -13.174781     -1.010437      2.211415
  C     -12.064509     -1.162331      3.251355
  O     -11.997950     -2.137959      3.962448
  C     -11.064061     -0.053228      3.367858
  C     -11.095603      1.078788      2.563328
  C     -10.132545      2.082027      2.704701
  C      -9.123400      1.927616      3.660732
  F      -8.219990      2.927516      3.772956
  C      -9.048822      0.809976      4.487061
  C      -8.002939      0.608064      5.553396
  O      -8.249480     -0.108799      6.522685
  N      -6.793995      1.228939      5.300891
  C      -6.111798      1.641908      6.342325
  C     -10.044407     -0.165837      4.326896
  H      -6.393938      5.002772     -0.482962
  H      -4.701417      5.434099     -0.868212
  H      -5.501944      4.032226     -1.643418
  H      -7.388598      2.959700     -0.497531
  H      -8.657791      0.904488      0.169467
  H      -3.675219     -1.854671      4.743540
  H      -4.217763      1.787268      2.098994
  H      -7.440660     11.032150     -0.637587
  H      -6.123386     10.572538     -1.727593
  H      -7.810961     10.158771     -2.159076
  H      -5.281641     10.837970      0.468036
  H      -3.846153     10.549264      2.481926
  H      -4.753902      3.708432      3.581090
  H      -6.728818      6.805398      0.989667
  H     -13.837607     -1.861035      2.284793
  H     -12.768961     -0.965912      1.194272
  H     -13.746334     -0.079606      2.368277
  H     -11.865604      1.173556      1.827413
  H     -10.124554      2.955304      2.096622
  H      -6.608292      1.716904      7.328461
  H     -10.010151     -1.066498      4.986242
  N      -1.952779      1.741821      3.366738
  N      -1.100640      1.628391      2.620562
88
Coordinates from ORCA-job orca E -6723.629259628658
  N      -2.785931      0.000541      5.388915
  Mo     -3.413727      1.857774      4.734031
  N      -4.834430      2.034447      6.262032
  C      -4.316562      2.760414      7.419911
  C      -2.895670      2.308602      7.715486
  N      -2.052092      2.210380      6.466242
  C      -1.095705      1.060454      6.600815
  C      -1.856204     -0.253094      6.450776
  C      -1.267041      3.462198      6.200064
  C      -2.171033      4.558102      5.657173
  N      -3.121002      3.880778      4.801769
  H      -1.158164     -1.070334      6.209581
  H      -2.386777     -0.529633      7.377102
  H      -0.367708      1.152396      5.785704
  H      -0.564042      1.124068      7.561126
  H      -2.698387      5.108854      6.452563
  H      -1.582894      5.297940      5.093001
  H      -0.740620      3.772950      7.115422
  H      -0.521481      3.199249      5.439961
  H      -4.935028      2.588450      8.316623
  H      -4.346264      3.842646      7.214612
  H      -2.936393      1.305505      8.156301
  H      -2.395763      2.976569      8.433375
  C      -5.294085      4.576591     -0.705173
  C      -4.826083      3.672566      0.406522
  O      -3.740714      3.884165      1.004646
  C      -5.678565      2.494722      0.768873
  C      -6.955869      2.257066      0.217950
  C      -7.676340      1.122486      0.573281
  C      -7.127114      0.218308      1.478421
  F      -7.855821     -0.863984      1.790531
  C      -5.872178      0.430344      2.076941
  C      -5.258837     -0.533543      3.028639
  O      -5.523047     -1.700457      3.073175
  N      -4.302541      0.019427      3.841696
  C      -3.587081     -0.760016      4.670959
  C      -5.172808      1.578109      1.692669
  C      -7.162206     10.241709     -1.315719
  C      -7.005621      8.907626     -0.626992
  O      -7.581413      7.924387     -1.053263
  C      -6.124452      8.822908      0.580024
  C      -5.330589      9.891668      1.017554
  C      -4.508519      9.744762      2.131156
  C      -4.470303      8.527462      2.806518
  F      -3.669395      8.459492      3.892244
  C      -5.249223      7.432246      2.409351
  C      -5.278830      6.070939      3.044261
  O      -6.246483      5.337884      2.834395
  N      -4.171175      5.741960      3.809361
  C      -4.039238      4.452511      4.042109
  C      -6.077464      7.624390      1.296595
  C     -13.187021     -1.033783      2.247961
  C     -12.099221     -1.125871      3.279853
  O     -12.040106     -2.130067      4.011956
  C     -11.087037     -0.035787      3.391714
  C     -11.131258      1.095462      2.565923
  C     -10.171138      2.100634      2.681418
  C      -9.156023      1.956136      3.628744
  F      -8.263662      2.964860      3.708181
  C      -9.063009      0.829441      4.481650
  C      -8.010561      0.646409      5.530711
  O      -8.260151     -0.077293      6.533391
  N      -6.799193      1.248538      5.275775
  C      -6.116334      1.655513      6.315882
  C     -10.058476     -0.144777      4.345728
  H      -6.283368      5.022432     -0.493326
  H      -4.574899      5.372164     -0.825483
  H      -5.388832      4.012208     -1.638827
  H      -7.396004      2.961165     -0.488460
  H      -8.675499      0.929872      0.177229
  H      -3.673079     -1.856581      4.734028
  H      -4.163818      1.759737      2.080893
  H      -7.509881     11.006364     -0.609056
  H      -6.197964     10.583744     -1.712085
  H      -7.878851     10.142439     -2.143031
  H      -5.346092     10.844649      0.489358
  H      -3.888171     10.562582      2.496268
  H      -4.733072      3.714886      3.564572
  H      -6.711456      6.796892      0.984497
  H     -13.854827     -1.925142      2.325824
  H     -12.737355     -0.993464      1.251070
  H     -13.774119     -0.125973      2.380112
  H     -11.925195      1.218959      1.817803
  H     -10.193120      3.015918      2.034226
  H      -6.615205      1.735174      7.299999
  H     -10.027665     -1.000727      4.995963
  N      -1.928547      1.735364      3.367457
  N      -1.071210      1.622756      2.632205
88
Coordinates from ORCA-job orca E -6723.630567035874
  N      -2.774834      0.003019      5.397587
  Mo     -3.417373      1.856330      4.734914
  N      -4.832847      2.031620      6.268353
  C      -4.315415      2.764128      7.422809
  C      -2.889102      2.323517      7.714104
  N      -2.049325      2.227203      6.461540
  C      -1.084628      1.083564      6.599332
  C      -1.837829     -0.239053      6.455692
  C      -1.272839      3.485923      6.185811
  C      -2.185373      4.574693      5.639086
  N      -3.136159      3.886996      4.788669
  H      -1.134362     -1.051860      6.215508
  H      -2.363704     -0.517964      7.385067
  H      -0.360294      1.177964      5.781166
  H      -0.549076      1.156271      7.559599
  H      -2.712382      5.126637      6.435182
  H      -1.603857      5.317243      5.068575
  H      -0.744179      3.804982      7.099004
  H      -0.528829      3.223619      5.422527
  H      -4.929145      2.589728      8.322984
  H      -4.353247      3.846326      7.213990
  H      -2.920371      1.321541      8.158775
  H      -2.390255      2.997928      8.427775
  C      -5.384001      4.565237     -0.681224
  C      -4.918949      3.660584      0.421770
  O      -3.888427      3.863067      0.992209
  C      -5.753313      2.476847      0.792954
  C      -7.026073      2.218938      0.239279
  C      -7.723407      1.072757      0.596112
  C      -7.156448      0.179351      1.502284
  F      -7.863209     -0.914655      1.816457
  C      -5.899325      0.411372      2.100975
  C      -5.274981     -0.549327      3.054401
  O      -5.558588     -1.738381      3.087583
  N      -4.300783      0.010094      3.867245
  C      -3.573753     -0.762707      4.689528
  C      -5.225709      1.569716      1.717344
  C      -7.090511     10.267043     -1.313863
  C      -6.976897      8.932709     -0.610389
  O      -7.590912      7.948137     -1.017342
  C      -6.093376      8.842536      0.587949
  C      -5.273192      9.903139      1.014313
  C      -4.455277      9.749509      2.125579
  C      -4.442779      8.534668      2.805458
  F      -3.641649      8.459428      3.885956
  C      -5.243834      7.447387      2.414810
  C      -5.290725      6.086849      3.047702
  O      -6.269122      5.358836      2.842475
  N      -4.184437      5.747889      3.806517
  C      -4.056747      4.456610      4.033326
  C      -6.071108      7.647424      1.307753
  C     -13.144453     -1.037138      2.199274
  C     -12.039289     -1.188068      3.247598
  O     -11.966818     -2.193922      3.970765
  C     -11.052192     -0.061969      3.368720
  C     -11.119391      1.112582      2.545075
  C     -10.167556      2.105737      2.690411
  C      -9.161497      1.976812      3.628159
  F      -8.270921      2.971960      3.738802
  C      -9.060774      0.842473      4.463198
  C      -8.002386      0.635158      5.528450
  O      -8.226014     -0.106801      6.494282
  N      -6.796991      1.242598      5.284731
  C      -6.111881      1.645512      6.325984
  C     -10.033232     -0.157548      4.315304
  H      -6.372687      5.008406     -0.433381
  H      -4.637587      5.372011     -0.829999
  H      -5.509279      3.984540     -1.629023
  H      -7.473934      2.915666     -0.467979
  H      -8.717631      0.861097      0.200910
  H      -3.650873     -1.853163      4.753365
  H      -4.217093      1.770717      2.103501
  H      -7.411982     11.057143     -0.616568
  H      -6.112918     10.576115     -1.725030
  H      -7.813970     10.175232     -2.129598
  H      -5.267886     10.852625      0.481958
  H      -3.818012     10.559081      2.482763
  H      -4.751901      3.720024      3.556730
  H      -6.720004      6.827838      1.001328
  H     -13.801948     -1.906452      2.256805
  H     -12.734415     -0.977797      1.170800
  H     -13.714516     -0.112878      2.362332
  H     -11.914399      1.239453      1.791597
  H     -10.181595      2.984556      2.081680
  H      -6.608157      1.722711      7.310287
  H      -9.980240     -1.046167      4.960125
  N      -1.941785      1.735433      3.361846
  N      -1.101163      1.620828      2.629019
88
Coordinates from ORCA-job orca E -6723.630973963024
  N      -2.777031      0.001016      5.401813
  Mo     -3.421260      1.854583      4.741513
  N      -4.836748      2.026489      6.273015
  C      -4.320898      2.760435      7.428339
  C      -2.894080      2.320363      7.721737
  N      -2.053146      2.224427      6.469557
  C      -1.085622      1.080275      6.606571
  C      -1.839516     -0.241729      6.462629
  C      -1.277204      3.483126      6.195879
  C      -2.192851      4.571645      5.651785
  N      -3.142689      3.884549      4.799850
  H      -1.135870     -1.055650      6.223825
  H      -2.366438     -0.519712      7.391984
  H      -0.360774      1.175618      5.788525
  H      -0.548889      1.152576      7.567540
  H      -2.720641      5.120822      6.448498
  H      -1.612863      5.316274      5.082561
  H      -0.748685      3.800525      7.110061
  H      -0.533139      3.223163      5.433344
  H      -4.935047      2.585037      8.327681
  H      -4.360305      3.843548      7.219609
  H      -2.923830      1.317371      8.166903
  H      -2.396564      2.994941      8.435733
  C      -5.433881      4.596823     -0.691954
  C      -4.922898      3.691328      0.408619
  O      -3.851237      3.908092      0.973750
  C      -5.728157      2.500397      0.771204
  C      -6.985683      2.252669      0.211409
  C      -7.697684      1.109596      0.563761
  C      -7.146952      0.209533      1.472640
  F      -7.876147     -0.880768      1.788732
  C      -5.894314      0.427571      2.075036
  C      -5.287859     -0.552234      3.032006
  O      -5.590189     -1.782035      3.044324
  N      -4.300559      0.007164      3.865842
  C      -3.575248     -0.767170      4.690634
  C      -5.209193      1.584802      1.696169
  C      -7.051774     10.290580     -1.340846
  C      -6.940566      8.947159     -0.644125
  O      -7.545237      7.953501     -1.071525
  C      -6.076438      8.848125      0.569225
  C      -5.261205      9.909083      1.009597
  C      -4.457903      9.748865      2.132658
  C      -4.457187      8.526545      2.811728
  F      -3.671350      8.444261      3.903606
  C      -5.255156      7.438471      2.408255
  C      -5.309536      6.072679      3.044655
  O      -6.288280      5.338869      2.829321
  N      -4.202638      5.736831      3.811111
  C      -4.064482      4.450299      4.043286
  C      -6.066579      7.645720      1.288122
  C     -13.151019     -1.063482      2.258672
  C     -12.042059     -1.177665      3.273451
  O     -11.950181     -2.156708      3.988921
  C     -11.060815     -0.063493      3.374565
  C     -11.113033      1.068189      2.568296
  C     -10.166453      2.075371      2.697364
  C      -9.145305      1.916477      3.648042
  F      -8.265710      2.940992      3.745451
  C      -9.052225      0.799117      4.473190
  C      -8.002938      0.605763      5.528488
  O      -8.245801     -0.109417      6.489434
  N      -6.793258      1.225432      5.282368
  C      -6.114745      1.636333      6.328593
  C     -10.037102     -0.166135      4.318440
  H      -6.417814      4.987935     -0.464266
  H      -4.744297      5.424622     -0.839525
  H      -5.530116      4.045815     -1.622312
  H      -7.426002      2.956355     -0.496578
  H      -8.691585      0.905045      0.163841
  H      -3.651785     -1.856830      4.754717
  H      -4.210176      1.779938      2.090771
  H      -7.391075     11.075199     -0.646470
  H      -6.069792     10.604505     -1.728708
  H      -7.757918     10.206767     -2.169622
  H      -5.246225     10.863012      0.477818
  H      -3.824103     10.557344      2.499460
  H      -4.757003      3.709018      3.566473
  H      -6.712026      6.826965      0.970984
  H     -13.796519     -1.930464      2.345559
  H     -12.725263     -1.008503      1.244032
  H     -13.759891     -0.144092      2.415963
  H     -11.896166      1.171768      1.833569
  H     -10.187805      2.986838      2.069545
  H      -6.615019      1.710358      7.312276
  H      -9.995455     -1.036895      4.960150
  N      -1.944487      1.738641      3.370279
  N      -1.096740      1.629249      2.630011
88
Coordinates from ORCA-job orca E -6723.632633396977
  N      -2.767242     -0.001036      5.403601
  Mo     -3.408421      1.848937      4.738552
  N      -4.835364      2.025410      6.260421
  C      -4.325686      2.758192      7.418096
  C      -2.902487      2.316867      7.718814
  N      -2.054104      2.220369      6.472287
  C      -1.087695      1.079212      6.614906
  C      -1.835747     -0.242679      6.467582
  C      -1.278278      3.477332      6.202445
  C      -2.188762      4.563801      5.652249
  N      -3.131661      3.877188      4.794976
  H      -1.128383     -1.052655      6.228027
  H      -2.364626     -0.523390      7.393930
  H      -0.357707      1.173890      5.801680
  H      -0.559490      1.152453      7.577400
  H      -2.722661      5.113474      6.444283
  H      -1.604620      5.306699      5.087665
  H      -0.756344      3.796084      7.118159
  H      -0.528849      3.216111      5.445241
  H      -4.944946      2.583353      8.313950
  H      -4.363241      3.840165      7.210348
  H      -2.937350      1.314723      8.162438
  H      -2.409077      2.990543      8.436287
  C      -5.369492      4.567545     -0.706360
  C      -4.867624      3.672935      0.398949
  O      -3.773188      3.911302      0.967163
  C      -5.713218      2.480769      0.787214
  C      -6.985639      2.231743      0.250877
  C      -7.690438      1.087434      0.609473
  C      -7.128667      0.187122      1.508143
  F      -7.835223     -0.906517      1.820116
  C      -5.881332      0.409280      2.097983
  C      -5.254916     -0.558701      3.044469
  O      -5.522890     -1.758808      3.077786
  N      -4.291274      0.002232      3.863943
  C      -3.568492     -0.770939      4.691650
  C      -5.195750      1.565777      1.708380
  C      -7.157904     10.267472     -1.304905
  C      -7.002260      8.932589     -0.624129
  O      -7.595961      7.946617     -1.049134
  C      -6.106339      8.841041      0.572400
  C      -5.297289      9.904865      1.006147
  C      -4.464179      9.750450      2.112253
  C      -4.432476      8.530842      2.784923
  F      -3.622664      8.456210      3.864316
  C      -5.228676      7.440621      2.391991
  C      -5.273659      6.077988      3.028566
  O      -6.247820      5.348356      2.811375
  N      -4.171301      5.740479      3.799930
  C      -4.046093      4.450202      4.031166
  C      -6.064111      7.640737      1.284938
  C     -13.178866     -0.997674      2.205804
  C     -12.083675     -1.125410      3.240314
  O     -12.018305     -2.118427      3.943689
  C     -11.075264     -0.040687      3.372948
  C     -11.125055      1.107769      2.573355
  C     -10.165277      2.107671      2.711875
  C      -9.153657      1.959378      3.646608
  F      -8.262431      2.967306      3.747043
  C      -9.054800      0.813726      4.473191
  C      -7.998097      0.611662      5.514208
  O      -8.234294     -0.129709      6.486606
  N      -6.793621      1.228934      5.268605
  C      -6.114836      1.640991      6.311182
  C     -10.040920     -0.174193      4.324758
  H      -6.358010      5.016643     -0.445230
  H      -4.631085      5.374527     -0.867504
  H      -5.507299      3.979807     -1.646746
  H      -7.430799      2.932786     -0.454584
  H      -8.681477      0.882849      0.218084
  H      -3.649034     -1.867017      4.759241
  H      -4.185563      1.756159      2.084340
  H      -7.490929     11.030892     -0.593140
  H      -6.196076     10.605992     -1.710306
  H      -7.885608     10.173141     -2.122356
  H      -5.309229     10.858557      0.481521
  H      -3.832294     10.563195      2.473774
  H      -4.737767      3.714655      3.548196
  H      -6.711096      6.818140      0.976735
  H     -13.845764     -1.880241      2.262289
  H     -12.747328     -0.937587      1.198275
  H     -13.756443     -0.080952      2.365692
  H     -11.917293      1.234622      1.835551
  H     -10.176011      3.005930      2.101172
  H      -6.616106      1.718222      7.293906
  H      -9.997569     -1.072412      4.970533
  N      -1.920282      1.729482      3.376190
  N      -1.056548      1.616406      2.640651
88
Coordinates from ORCA-job orca E -6723.630911717658
  N      -2.772054      0.000571      5.389666
  Mo     -3.420477      1.851034      4.725038
  N      -4.835697      2.023622      6.259070
  C      -4.317591      2.757879      7.412912
  C      -2.889715      2.321743      7.702708
  N      -2.052119      2.226940      6.448849
  C      -1.082216      1.086903      6.586704
  C      -1.832319     -0.237838      6.448964
  C      -1.280797      3.488846      6.171100
  C      -2.200401      4.573751      5.627436
  N      -3.149275      3.883204      4.776953
  H      -1.127063     -1.049246      6.209846
  H      -2.355700     -0.515350      7.380556
  H      -0.359666      1.182683      5.766572
  H      -0.544370      1.162735      7.546288
  H      -2.729298      5.121990      6.423823
  H      -1.622756      5.319847      5.057273
  H      -0.751231      3.810020      7.083341
  H      -0.536809      3.230974      5.406809
  H      -4.929683      2.581303      8.313784
  H      -4.359344      3.840300      7.204580
  H      -2.916909      1.319639      8.149447
  H      -2.391806      2.998627      8.414758
  C      -5.368809      4.572185     -0.653341
  C      -4.878082      3.645590      0.431803
  O      -3.812435      3.837941      1.009951
  C      -5.702166      2.458893      0.786113
  C      -6.967553      2.206376      0.229577
  C      -7.675903      1.061094      0.585450
  C      -7.123742      0.163413      1.494664
  F      -7.850864     -0.926183      1.814768
  C      -5.871255      0.391193      2.095180
  C      -5.262431     -0.564629      3.054043
  O      -5.532015     -1.738450      3.096612
  N      -4.301152     -0.000053      3.861778
  C      -3.573546     -0.768750      4.683344
  C      -5.186075      1.547178      1.710367
  C      -7.062482     10.297163     -1.328827
  C      -6.966302      8.956332     -0.623629
  O      -7.576470      7.979097     -1.039311
  C      -6.100765      8.854292      0.586744
  C      -5.296825      9.910829      1.033987
  C      -4.495341      9.747720      2.153462
  C      -4.481555      8.526920      2.820559
  F      -3.694813      8.442454      3.908830
  C      -5.264894      7.443222      2.409429
  C      -5.305021      6.078147      3.029339
  O      -6.270374      5.345925      2.801847
  N      -4.201909      5.742877      3.795314
  C      -4.071359      4.451986      4.021193
  C      -6.078762      7.652006      1.295137
  C     -13.176653     -1.050456      2.234995
  C     -12.071059     -1.187998      3.277871
  O     -12.008808     -2.191990      4.006791
  C     -11.074870     -0.055503      3.384962
  C     -11.132504      1.111820      2.552771
  C     -10.172272      2.111277      2.685011
  C      -9.155810      1.960138      3.637233
  F      -8.245971      2.931553      3.748930
  C      -9.073424      0.854758      4.467362
  C      -8.012584      0.648545      5.532214
  O      -8.245438     -0.075612      6.523503
  N      -6.804700      1.238735      5.280108
  C      -6.116915      1.640996      6.318952
  C     -10.062779     -0.132275      4.322699
  H      -6.353245      4.985462     -0.419931
  H      -4.669818      5.382304     -0.770802
  H      -5.467581      4.039699     -1.593867
  H      -7.412696      2.907342     -0.476126
  H      -8.673889      0.855399      0.190202
  H      -3.649693     -1.860701      4.748519
  H      -4.187707      1.743588      2.103136
  H      -7.389529     11.092617     -0.632544
  H      -6.075804     10.598727     -1.727532
  H      -7.774054     10.213783     -2.156156
  H      -5.292021     10.866299      0.510880
  H      -3.870883     10.554887      2.528007
  H      -4.764691      3.715715      3.542793
  H      -6.713150      6.834175      0.970342
  H     -13.839261     -1.916886      2.305170
  H     -12.763475     -1.006087      1.217407
  H     -13.745024     -0.130901      2.383751
  H     -11.927406      1.239498      1.797712
  H     -10.183347      2.996537      2.062936
  H      -6.611901      1.722093      7.304524
  H     -10.028417     -0.990097      4.962010
  N      -1.943362      1.737227      3.352016
  N      -1.099386      1.630203      2.612719
88
Coordinates from ORCA-job orca E -6723.632193223217
  N      -2.748459      0.006392      5.392985
  Mo     -3.421189      1.850691      4.727450
  N      -4.838955      2.009481      6.257893
  C      -4.332207      2.748377      7.413072
  C      -2.898946      2.327992      7.705905
  N      -2.056872      2.243368      6.453937
  C      -1.071776      1.114696      6.594832
  C      -1.805648     -0.220620      6.452238
  C      -1.298964      3.513780      6.176859
  C      -2.229202      4.588108      5.629987
  N      -3.169760      3.887569      4.776760
  H      -1.089132     -1.024722      6.213758
  H      -2.328992     -0.507017      7.383125
  H      -0.346447      1.220298      5.777961
  H      -0.537711      1.197936      7.555693
  H      -2.765287      5.131744      6.425076
  H      -1.658048      5.340564      5.060572
  H      -0.774845      3.841144      7.090000
  H      -0.550651      3.262717      5.414900
  H      -4.944104      2.563468      8.312308
  H      -4.386426      3.830824      7.205265
  H      -2.915262      1.324893      8.151428
  H      -2.409776      3.009257      8.419342
  C      -5.407562      4.576713     -0.648373
  C      -4.931115      3.659203      0.444716
  O      -3.888631      3.854253      1.012650
  C      -5.749953      2.471996      0.802023
  C      -7.013761      2.218806      0.238960
  C      -7.713862      1.071327      0.585917
  C      -7.150203      0.172403      1.490311
  F      -7.865305     -0.922256      1.799205
  C      -5.889997      0.399241      2.092759
  C      -5.262697     -0.569402      3.042042
  O      -5.538744     -1.769258      3.058668
  N      -4.283271     -0.007371      3.867818
  C      -3.542239     -0.771129      4.690923
  C      -5.219405      1.559625      1.720741
  C      -6.991344     10.347483     -1.345078
  C      -6.904239      9.000156     -0.647900
  O      -7.515309      8.022955     -1.074154
  C      -6.048622      8.886231      0.565807
  C      -5.222616      9.937110      1.008432
  C      -4.428042      9.764031      2.131603
  C      -4.445109      8.539283      2.808101
  F      -3.663088      8.445079      3.899071
  C      -5.252128      7.460768      2.401413
  C      -5.319156      6.092437      3.028991
  O      -6.300615      5.369928      2.807128
  N      -4.222141      5.744686      3.799363
  C      -4.091621      4.453819      4.020333
  C      -6.055959      7.680321      1.281965
  C     -13.186316     -1.071895      2.260737
  C     -12.075084     -1.193702      3.274361
  O     -11.982276     -2.199463      3.995719
  C     -11.089431     -0.081002      3.380005
  C     -11.148448      1.053156      2.581408
  C     -10.202991      2.057401      2.710738
  C      -9.181656      1.912226      3.644258
  F      -8.311581      2.950748      3.735227
  C      -9.067062      0.761781      4.477943
  C      -8.006520      0.555835      5.530228
  O      -8.230770     -0.190178      6.481227
  N      -6.798541      1.196066      5.273758
  C      -6.116440      1.607826      6.314331
  C     -10.052387     -0.200535      4.321446
  H      -6.389791      4.997026     -0.403362
  H      -4.680343      5.394191     -0.791926
  H      -5.522075      4.016785     -1.595020
  H      -7.461101      2.921085     -0.464423
  H      -8.707902      0.862457      0.185353
  H      -3.604953     -1.859863      4.757798
  H      -4.213498      1.758932      2.112030
  H      -7.326433     11.137189     -0.653364
  H      -6.003206     10.648740     -1.726208
  H      -7.690844     10.274490     -2.178349
  H      -5.192441     10.893623      0.477520
  H      -3.785048     10.564963      2.500195
  H      -4.779604      3.717191      3.535774
  H      -6.705763      6.867905      0.959990
  H     -13.829947     -1.946656      2.340954
  H     -12.765294     -1.006262      1.237778
  H     -13.788721     -0.158583      2.427960
  H     -11.938698      1.161613      1.852295
  H     -10.235573      2.968737      2.090163
  H      -6.613666      1.672590      7.300831
  H      -9.991834     -1.090609      4.962330
  N      -1.944041      1.752957      3.355747
  N      -1.104657      1.653671      2.619199
88
Coordinates from ORCA-job orca E -6723.631472042016
  N      -2.784583     -0.008077      5.425360
  Mo     -3.406391      1.843218      4.751164
  N      -4.838234      2.041697      6.265456
  C      -4.326139      2.777193      7.422279
  C      -2.910003      2.323470      7.729564
  N      -2.058948      2.210378      6.486428
  C      -1.106201      1.062197      6.636496
  C      -1.862853     -0.250913      6.492673
  C      -1.273204      3.457232      6.213194
  C      -2.171678      4.549005      5.657632
  N      -3.117769      3.869122      4.799654
  H      -1.163733     -1.065858      6.259125
  H      -2.393955     -0.520887      7.415710
  H      -0.375620      1.144488      5.824778
  H      -0.581170      1.135197      7.600373
  H      -2.702415      5.104265      6.448177
  H      -1.581873      5.285099      5.092822
  H      -0.751112      3.774212      7.129036
  H      -0.525931      3.186093      5.457523
  H      -4.948534      2.612884      8.317616
  H      -4.353749      3.857949      7.209226
  H      -2.956153      1.325774      8.179255
  H      -2.413624      2.997092      8.445071
  C      -5.434219      4.568251     -0.715728
  C      -4.883622      3.670561      0.373423
  O      -3.790708      3.910361      0.920134
  C      -5.705481      2.474572      0.765672
  C      -6.976582      2.221393      0.232410
  C      -7.686837      1.077929      0.602313
  C      -7.125548      0.184178      1.507344
  F      -7.839987     -0.907589      1.833922
  C      -5.874180      0.407518      2.093419
  C      -5.256222     -0.566859      3.048877
  O      -5.533164     -1.793786      3.067156
  N      -4.294225     -0.002683      3.881937
  C      -3.584036     -0.777973      4.718768
  C      -5.186220      1.562842      1.693950
  C      -7.221713     10.251696     -1.262868
  C      -7.036132      8.921302     -0.604575
  O      -7.634697      7.929130     -1.033068
  C      -6.111483      8.834931      0.576033
  C      -5.293105      9.903537      1.004157
  C      -4.434772      9.752920      2.097780
  C      -4.390131      8.533387      2.765300
  F      -3.558856      8.463158      3.834122
  C      -5.197119      7.438450      2.377887
  C      -5.240145      6.074687      3.013320
  O      -6.221945      5.340379      2.800073
  N      -4.140938      5.739669      3.793234
  C      -4.024532      4.449094      4.030557
  C      -6.053283      7.635240      1.280823
  C     -13.142029     -0.999295      2.201631
  C     -12.035766     -1.129647      3.223082
  O     -11.951204     -2.113413      3.918789
  C     -11.045938     -0.027681      3.349399
  C     -11.105488      1.142591      2.551360
  C     -10.150015      2.138753      2.702008
  C      -9.131856      1.970454      3.642310
  F      -8.245951      2.981389      3.754396
  C      -9.037675      0.837102      4.449584
  C      -7.989382      0.644054      5.484988
  O      -8.241532     -0.079317      6.456255
  N      -6.784746      1.252595      5.259680
  C      -6.117088      1.668570      6.309619
  C     -10.014497     -0.158154      4.296859
  H      -6.424881      4.974329     -0.445645
  H      -4.733653      5.395685     -0.884082
  H      -5.570739      4.000817     -1.654383
  H      -7.422253      2.919174     -0.477539
  H      -8.678103      0.868548      0.213456
  H      -3.673517     -1.873856      4.795666
  H      -4.175490      1.756750      2.067367
  H      -7.547743     10.995770     -0.537127
  H      -6.271774     10.608117     -1.678434
  H      -7.966806     10.154636     -2.067497
  H      -5.317153     10.856445      0.485625
  H      -3.795361     10.568588      2.453452
  H      -4.722556      3.719825      3.548625
  H      -6.710706      6.809378      0.980256
  H     -13.795373     -1.874557      2.267507
  H     -12.712809     -0.931647      1.195329
  H     -13.745256     -0.081076      2.367365
  H     -11.895706      1.271780      1.812103
  H     -10.161675      3.039214      2.100829
  H      -6.626187      1.758007      7.284876
  H      -9.974258     -1.046033      4.927532
  N      -1.917259      1.703466      3.390958
  N      -1.054152      1.581330      2.658248
88
Coordinates from ORCA-job orca E -6723.633522445631
  N      -2.742225      0.001235      5.392567
  Mo     -3.422801      1.842827      4.728016
  N      -4.832982      1.997001      6.267146
  C      -4.317841      2.735870      7.418560
  C      -2.880884      2.319496      7.700696
  N      -2.046777      2.238963      6.442819
  C      -1.055793      1.114219      6.577429
  C      -1.787072     -0.224946      6.447128
  C      -1.294361      3.513325      6.160103
  C      -2.235040      4.584456      5.623282
  N      -3.178885      3.881194      4.776289
  H      -1.065222     -1.024777      6.201178
  H      -2.300769     -0.515964      7.385884
  H      -0.338074      1.223251      5.752216
  H      -0.511510      1.199004      7.533606
  H      -2.768402      5.122508      6.422558
  H      -1.671579      5.342118      5.051578
  H      -0.762762      3.841075      7.068880
  H      -0.550973      3.268270      5.391592
  H      -4.923055      2.547907      8.322148
  H      -4.376583      3.818786      7.212099
  H      -2.891057      1.315051      8.146805
  H      -2.388915      3.002083      8.411351
  C      -5.380379      4.561452     -0.657587
  C      -4.895992      3.647338      0.430872
  O      -3.801741      3.862725      0.997124
  C      -5.731011      2.452435      0.799054
  C      -6.998391      2.199331      0.251467
  C      -7.696220      1.050598      0.601981
  C      -7.135103      0.150841      1.503867
  F      -7.838145     -0.946041      1.811529
  C      -5.891028      0.377686      2.102219
  C      -5.265517     -0.587378      3.052218
  O      -5.528960     -1.786442      3.083741
  N      -4.294549     -0.016818      3.870236
  C      -3.548325     -0.778823      4.691035
  C      -5.211935      1.537452      1.720114
  C      -6.993804     10.332912     -1.373867
  C      -6.924207      8.986536     -0.655425
  O      -7.535400      8.007966     -1.078553
  C      -6.083829      8.875224      0.572726
  C      -5.287787      9.926693      1.034884
  C      -4.508367      9.753633      2.169481
  C      -4.508190      8.527189      2.837056
  F      -3.742576      8.433010      3.939427
  C      -5.285674      7.448111      2.412237
  C      -5.339082      6.079536      3.033258
  O      -6.295821      5.348211      2.776140
  N      -4.239993      5.736936      3.804825
  C      -4.105167      4.446535      4.023598
  C      -6.078369      7.667607      1.283374
  C     -13.186418     -1.016401      2.210311
  C     -12.095321     -1.152814      3.260034
  O     -12.040098     -2.149196      3.971630
  C     -11.085396     -0.056780      3.394136
  C     -11.130227      1.085690      2.592624
  C     -10.173191      2.092053      2.730076
  C      -9.164517      1.948818      3.667871
  F      -8.263871      2.937897      3.777745
  C      -9.072593      0.818126      4.492148
  C      -8.006133      0.592608      5.552359
  O      -8.228221     -0.141776      6.525990
  N      -6.802005      1.195926      5.295617
  C      -6.111988      1.600570      6.333585
  C     -10.063365     -0.163687      4.338397
  H      -6.364794      4.995213     -0.415477
  H      -4.662414      5.373615     -0.791419
  H      -5.490084      3.999004     -1.593966
  H      -7.445577      2.901084     -0.452749
  H      -8.685919      0.841946      0.204456
  H      -3.612856     -1.871889      4.757029
  H      -4.209017      1.732871      2.105072
  H      -7.328381     11.140002     -0.689044
  H      -5.997747     10.619572     -1.755033
  H      -7.687293     10.256354     -2.215946
  H      -5.271164     10.885550      0.512189
  H      -3.891647     10.556005      2.555508
  H      -4.793389      3.710016      3.540332
  H      -6.708228      6.854369      0.948782
  H     -13.857540     -1.894548      2.260353
  H     -12.760445     -0.960276      1.197659
  H     -13.748311     -0.098545      2.367246
  H     -11.922261      1.213119      1.846358
  H     -10.185735      2.994526      2.113624
  H      -6.603800      1.672507      7.323533
  H     -10.024008     -1.051117      4.981021
  N      -1.951909      1.752410      3.348599
  N      -1.105339      1.659588      2.597819
88
Coordinates from ORCA-job orca E -6723.631165977720
  N      -2.767461      0.003049      5.400503
  Mo     -3.417688      1.846964      4.719852
  N      -4.842426      2.031709      6.240830
  C      -4.337597      2.774765      7.395123
  C      -2.912129      2.344275      7.698839
  N      -2.065750      2.240113      6.451868
  C      -1.095078      1.104536      6.605712
  C      -1.838653     -0.221333      6.467011
  C      -1.297552      3.499854      6.169304
  C      -2.213486      4.577812      5.610669
  N      -3.155117      3.881451      4.756462
  H      -1.133786     -1.032706      6.239795
  H      -2.368095     -0.490357      7.393104
  H      -0.365627      1.194000      5.793226
  H      -0.569273      1.190640      7.569434
  H      -2.748599      5.131409      6.400390
  H      -1.633756      5.319910      5.039962
  H      -0.775756      3.830034      7.082534
  H      -0.548716      3.235022      5.411936
  H      -4.955671      2.602401      8.292192
  H      -4.381343      3.855012      7.180129
  H      -2.940365      1.347117      8.152426
  H      -2.420976      3.027588      8.409104
  C      -5.419787      4.551602     -0.630076
  C      -4.897573      3.616419      0.441742
  O      -3.848086      3.799998      1.004909
  C      -5.705485      2.430211      0.800011
  C      -6.970469      2.172999      0.247709
  C      -7.673331      1.027824      0.609246
  C      -7.112461      0.135037      1.517738
  F      -7.846602     -0.952589      1.851663
  C      -5.847244      0.367194      2.107626
  C      -5.228679     -0.585372      3.062729
  O      -5.497922     -1.760993      3.099316
  N      -4.279182     -0.017998      3.875311
  C      -3.557662     -0.775813      4.704836
  C      -5.171633      1.523539      1.718937
  C      -7.073949     10.361171     -1.273273
  C      -6.956342      9.014170     -0.607605
  O      -7.569386      8.047901     -1.036414
  C      -6.067774      8.893184      0.582517
  C      -5.232422      9.940669      1.021314
  C      -4.409586      9.762059      2.122624
  C      -4.410014      8.535566      2.782086
  F      -3.602347      8.436925      3.854390
  C      -5.226920      7.460444      2.379971
  C      -5.284508      6.090897      2.994645
  O      -6.267463      5.368089      2.782196
  N      -4.189082      5.746915      3.766740
  C      -4.069382      4.454365      3.992742
  C      -6.056344      7.684342      1.280831
  C     -13.185579     -1.065533      2.253462
  C     -12.069105     -1.192127      3.266182
  O     -11.979214     -2.205507      3.991554
  C     -11.085559     -0.064187      3.363320
  C     -11.153911      1.094077      2.548860
  C     -10.204437      2.095872      2.676640
  C      -9.174865      1.935519      3.618429
  F      -8.292217      2.951809      3.717671
  C      -9.066144      0.794595      4.450867
  C      -8.009836      0.599021      5.500280
  O      -8.247336     -0.142992      6.469535
  N      -6.798796      1.231561      5.247248
  C      -6.122198      1.644332      6.288845
  C     -10.053860     -0.169993      4.297468
  H      -6.403373      4.956077     -0.352377
  H      -4.706718      5.369365     -0.769908
  H      -5.557139      4.022380     -1.590197
  H      -7.423037      2.871296     -0.454786
  H      -8.678377      0.817846      0.221539
  H      -3.630132     -1.864640      4.784444
  H      -4.169827      1.724924      2.104810
  H      -7.396094     11.128342     -0.558256
  H      -6.098057     10.682282     -1.670090
  H      -7.795966     10.291400     -2.090465
  H      -5.217070     10.900344      0.503429
  H      -3.756844     10.561313      2.488531
  H      -4.763323      3.723473      3.508841
  H      -6.716131      6.873636      0.962754
  H     -13.829190     -1.935674      2.337992
  H     -12.770926     -1.005084      1.230322
  H     -13.784288     -0.153440      2.416597
  H     -11.946053      1.205997      1.817123
  H     -10.235233      2.995656      2.058746
  H      -6.625173      1.721649      7.269720
  H      -9.997677     -1.047303      4.934190
  N      -1.932335      1.726882      3.355586
  N      -1.087777      1.614630      2.625657
88
Coordinates from ORCA-job orca E -6723.635588587636
  N      -2.750185     -0.002209      5.409506
  Mo     -3.415525      1.839533      4.736203
  N      -4.837599      2.012465      6.261301
  C      -4.330056      2.752788      7.415635
  C      -2.900654      2.326738      7.711975
  N      -2.056773      2.232884      6.462054
  C      -1.076454      1.103139      6.607849
  C      -1.811623     -0.228273      6.470686
  C      -1.295848      3.497799      6.181894
  C      -2.221790      4.572617      5.633248
  N      -3.162617      3.874916      4.779636
  H      -1.097233     -1.033098      6.234011
  H      -2.334237     -0.509097      7.400806
  H      -0.351015      1.202068      5.791097
  H      -0.544367      1.188261      7.568356
  H      -2.757620      5.117795      6.427251
  H      -1.648958      5.322116      5.064488
  H      -0.771693      3.825297      7.093954
  H      -0.548470      3.241954      5.420871
  H      -4.943963      2.573503      8.314382
  H      -4.379597      3.834193      7.205208
  H      -2.922456      1.326276      8.161478
  H      -2.410592      3.008821      8.423804
  C      -5.407565      4.561390     -0.665880
  C      -4.915521      3.648775      0.420747
  O      -3.841261      3.860782      0.974518
  C      -5.741878      2.455143      0.794662
  C      -7.012494      2.198367      0.246500
  C      -7.711137      1.049675      0.601744
  C      -7.141386      0.154293      1.504523
  F      -7.843220     -0.942762      1.815785
  C      -5.885534      0.384238      2.100033
  C      -5.250914     -0.583739      3.049316
  O      -5.507355     -1.790123      3.062391
  N      -4.283952     -0.016946      3.880585
  C      -3.547631     -0.782552      4.710358
  C      -5.212677      1.544473      1.716889
  C      -7.077082     10.326806     -1.319074
  C      -6.958087      8.983172     -0.634763
  O      -7.569056      8.003264     -1.061183
  C      -6.077319      8.875043      0.568495
  C      -5.258096      9.931250      1.012163
  C      -4.441516      9.762417      2.126211
  C      -4.433387      8.536999      2.795069
  F      -3.634670      8.448691      3.879927
  C      -5.236470      7.453226      2.389001
  C      -5.293505      6.083910      3.013708
  O      -6.271289      5.356059      2.785290
  N      -4.200772      5.739898      3.794389
  C      -4.078328      4.447902      4.017994
  C      -6.057724      7.668446      1.276017
  C     -13.173969     -1.024905      2.225179
  C     -12.065846     -1.161176      3.245711
  O     -11.985341     -2.164384      3.952286
  C     -11.072451     -0.051771      3.367623
  C     -11.129271      1.110953      2.572109
  C     -10.172131      2.104224      2.720269
  C      -9.152668      1.939778      3.657249
  F      -8.264593      2.951617      3.769951
  C      -9.056129      0.801890      4.467381
  C      -7.999102      0.593246      5.509752
  O      -8.234882     -0.146637      6.472017
  N      -6.792650      1.213326      5.268587
  C      -6.115885      1.623258      6.313596
  C     -10.039431     -0.181326      4.310762
  H      -6.388437      4.976732     -0.423521
  H      -4.700399      5.383509     -0.808634
  H      -5.515971      4.001605     -1.599896
  H      -7.462025      2.897188     -0.459578
  H      -8.700456      0.836787      0.203769
  H      -3.616637     -1.876514      4.783984
  H      -4.199848      1.743529      2.096975
  H      -7.407082     11.101528     -0.613122
  H      -6.101291     10.645570     -1.713375
  H      -7.793862     10.247861     -2.143582
  H      -5.250391     10.888902      0.489637
  H      -3.803016     10.568046      2.495237
  H      -4.769921      3.717507      3.531027
  H      -6.706239      6.851617      0.956121
  H     -13.826554     -1.897876      2.292275
  H     -12.750633     -0.955784      1.211956
  H     -13.770270     -0.109137      2.394671
  H     -11.922489      1.242669      1.832844
  H     -10.188679      3.006577      2.117971
  H      -6.617525      1.698523      7.296233
  H      -9.994783     -1.067886      4.938324
  N      -1.934340      1.732193      3.367184
  N      -1.085980      1.629992      2.629352
88
Coordinates from ORCA-job orca E -6723.630751131063
  N      -2.759932     -0.005597      5.416032
  Mo     -3.414220      1.836038      4.730237
  N      -4.835442      2.021146      6.256733
  C      -4.321988      2.766893      7.406066
  C      -2.892692      2.339748      7.702197
  N      -2.051398      2.235506      6.451337
  C      -1.076526      1.102575      6.603203
  C      -1.818407     -0.228560      6.478602
  C      -1.285564      3.497605      6.161582
  C      -2.208629      4.573007      5.607815
  N      -3.153824      3.873274      4.760091
  H      -1.105869     -1.036159      6.245632
  H      -2.339521     -0.503378      7.413418
  H      -0.353792      1.194291      5.782612
  H      -0.540063      1.191508      7.563036
  H      -2.740926      5.123991      6.399678
  H      -1.634362      5.318469      5.033858
  H      -0.756816      3.829221      7.070679
  H      -0.540987      3.235985      5.399257
  H      -4.934090      2.593300      8.307502
  H      -4.370007      3.847755      7.189519
  H      -2.916502      1.342505      8.159247
  H      -2.399269      3.025931      8.408899
  C      -5.494269      4.535332     -0.646409
  C      -4.885194      3.608462      0.412749
  O      -3.796719      3.824692      0.969528
  C      -5.681042      2.408707      0.780741
  C      -6.934378      2.147098      0.236916
  C      -7.642636      1.000321      0.609512
  C      -7.097016      0.111316      1.526068
  F      -7.833330     -0.977918      1.870686
  C      -5.855524      0.343206      2.114815
  C      -5.258847     -0.614346      3.081226
  O      -5.545402     -1.825561      3.129598
  N      -4.294853     -0.031777      3.894119
  C      -3.565602     -0.786920      4.722007
  C      -5.166375      1.500142      1.711074
  C      -7.072693     10.366510     -1.289660
  C      -6.961452      9.018832     -0.614756
  O      -7.574443      8.046232     -1.051223
  C      -6.082410      8.896366      0.588174
  C      -5.275219      9.942916      1.052863
  C      -4.462753      9.759734      2.166161
  C      -4.444615      8.528466      2.811288
  F      -3.651429      8.424589      3.896135
  C      -5.234887      7.454351      2.384324
  C      -5.284431      6.081948      2.988945
  O      -6.246216      5.352658      2.730432
  N      -4.189938      5.735832      3.766940
  C      -4.069149      4.444284      3.996661
  C      -6.055508      7.683337      1.274483
  C     -13.164955     -1.026003      2.200754
  C     -12.072822     -1.143773      3.250146
  O     -12.005256     -2.118465      3.970248
  C     -11.075617     -0.043221      3.367483
  C     -11.126912      1.082623      2.552885
  C     -10.184498      2.106707      2.673412
  C      -9.175881      1.980855      3.613271
  F      -8.290511      2.984920      3.706978
  C      -9.071214      0.853531      4.456155
  C      -8.006136      0.642134      5.525111
  O      -8.231996     -0.072577      6.510012
  N      -6.802089      1.227045      5.275699
  C      -6.116711      1.638952      6.314946
  C     -10.055789     -0.128822      4.310960
  H      -6.498045      4.922571     -0.317331
  H      -4.791502      5.363104     -0.803040
  H      -5.670088      4.009705     -1.624050
  H      -7.380483      2.843549     -0.472725
  H      -8.639318      0.787233      0.223903
  H      -3.642206     -1.876640      4.801240
  H      -4.181963      1.702253      2.098720
  H      -7.396908     11.140239     -0.577599
  H      -6.092873     10.680152     -1.684164
  H      -7.791449     10.295698     -2.114145
  H      -5.275321     10.905438      0.549796
  H      -3.836135     10.558049      2.553076
  H      -4.763796      3.712256      3.515852
  H      -6.699830      6.873422      0.941974
  H     -13.828357     -1.906364      2.264584
  H     -12.740052     -0.980124      1.185077
  H     -13.736355     -0.105911      2.347726
  H     -11.913824      1.185248      1.810158
  H     -10.210059      3.017028      2.036855
  H      -6.614433      1.727584      7.297516
  H     -10.009488     -1.008084      4.965430
  N      -1.936070      1.717445      3.359163
  N      -1.084231      1.608196      2.612726
88
Coordinates from ORCA-job orca E -6723.636054306023
  N      -2.752418      0.000396      5.402547
  Mo     -3.418203      1.840422      4.724812
  N      -4.839555      2.014710      6.250947
  C      -4.331562      2.757412      7.403920
  C      -2.901035      2.334980      7.699197
  N      -2.058715      2.239729      6.448239
  C      -1.077336      1.111406      6.595951
  C      -1.812223     -0.221287      6.464394
  C      -1.300011      3.506073      6.163526
  C      -2.228857      4.578498      5.614320
  N      -3.169862      3.877811      4.762799
  H      -1.097630     -1.025849      6.229637
  H      -2.333361     -0.499535      7.396434
  H      -0.353422      1.208716      5.777404
  H      -0.543753      1.199780      7.555950
  H      -2.764797      5.123724      6.408218
  H      -1.658112      5.328939      5.043696
  H      -0.774052      3.836736      7.073886
  H      -0.553559      3.250339      5.401085
  H      -4.944052      2.577533      8.303784
  H      -4.383780      3.838703      7.192431
  H      -2.920483      1.335531      8.151639
  H      -2.411116      3.020094      8.408710
  C      -5.419416      4.547757     -0.643676
  C      -4.900104      3.620961      0.425132
  O      -3.813267      3.825941      0.974437
  C      -5.721403      2.427133      0.798404
  C      -6.992246      2.169739      0.259635
  C      -7.688834      1.022566      0.621062
  C      -7.121481      0.129239      1.523964
  F      -7.835496     -0.963019      1.850963
  C      -5.866820      0.359969      2.110715
  C      -5.240731     -0.598806      3.063967
  O      -5.510288     -1.799360      3.098421
  N      -4.283312     -0.024581      3.880997
  C      -3.550476     -0.781565      4.708025
  C      -5.190926      1.517421      1.718098
  C      -7.040261     10.357872     -1.318890
  C      -6.945081      9.011548     -0.630326
  O      -7.563737      8.038064     -1.057489
  C      -6.073787      8.893608      0.576447
  C      -5.259943      9.943099      1.031880
  C      -4.454077      9.765529      2.148804
  C      -4.448658      8.537368      2.806968
  F      -3.658932      8.440193      3.893907
  C      -5.245206      7.460029      2.388729
  C      -5.301329      6.088835      3.002040
  O      -6.267878      5.359171      2.752945
  N      -4.208316      5.743239      3.780638
  C      -4.086359      4.450783      4.001834
  C      -6.059216      7.683778      1.274990
  C     -13.177939     -1.029417      2.218805
  C     -12.074542     -1.164750      3.247736
  O     -11.997968     -2.165644      3.952877
  C     -11.079545     -0.058629      3.373842
  C     -11.140156      1.101052      2.577402
  C     -10.188965      2.104826      2.719516
  C      -9.167461      1.941744      3.656234
  F      -8.278595      2.944171      3.768958
  C      -9.063998      0.800494      4.470189
  C      -8.005343      0.593026      5.513838
  O      -8.239246     -0.147065      6.478670
  N      -6.798954      1.216276      5.263755
  C      -6.118637      1.626413      6.305642
  C     -10.049705     -0.175979      4.311536
  H      -6.400633      4.967510     -0.367533
  H      -4.705412      5.364452     -0.788329
  H      -5.555386      4.001733     -1.590877
  H      -7.446625      2.867658     -0.443075
  H      -8.685889      0.810404      0.233492
  H      -3.619831     -1.872117      4.785654
  H      -4.183797      1.716642      2.095182
  H      -7.363798     11.142529     -0.614925
  H      -6.054877     10.661874     -1.712629
  H      -7.753823     10.285834     -2.145588
  H      -5.249331     10.903458      0.517092
  H      -3.821152     10.566328      2.528354
  H      -4.777959      3.721341      3.514487
  H      -6.704414      6.871515      0.946085
  H     -13.834445     -1.907440      2.278010
  H     -12.755774     -0.961176      1.204477
  H     -13.762568     -0.116002      2.386691
  H     -11.931834      1.224781      1.842211
  H     -10.211377      3.009482      2.114316
  H      -6.618219      1.701664      7.289899
  H      -9.999827     -1.067257      4.943850
  N      -1.938134      1.734954      3.354292
  N      -1.088693      1.633765      2.613150
88
Coordinates from ORCA-job orca E -6723.636632580437
  N      -2.741370     -0.001197      5.430693
  Mo     -3.413680      1.824648      4.722760
  N      -4.837980      2.022086      6.243074
  C      -4.333346      2.783335      7.385073
  C      -2.902886      2.367637      7.689465
  N      -2.058132      2.255118      6.441667
  C      -1.072255      1.134112      6.607648
  C      -1.800940     -0.202824      6.496098
  C      -1.304104      3.518753      6.139689
  C      -2.236148      4.578876      5.574911
  N      -3.171503      3.864193      4.729163
  H      -1.082833     -1.008074      6.273701
  H      -2.321429     -0.468613      7.432215
  H      -0.348048      1.221672      5.788273
  H      -0.540122      1.239832      7.566251
  H      -2.776358      5.131981      6.360322
  H      -1.667198      5.324062      4.996308
  H      -0.780944      3.864276      7.045815
  H      -0.555878      3.254774      5.381999
  H      -4.947191      2.616684      8.286486
  H      -4.386884      3.860906      7.156621
  H      -2.921065      1.375489      8.157247
  H      -2.415810      3.064562      8.389097
  C      -5.475354      4.481486     -0.641366
  C      -4.921540      3.542232      0.398535
  O      -3.821442      3.741152      0.914635
  C      -5.729320      2.343777      0.781730
  C      -6.996641      2.070595      0.242360
  C      -7.686127      0.922627      0.616555
  C      -7.114755      0.046909      1.535307
  F      -7.820906     -1.044564      1.875693
  C      -5.862391      0.293951      2.122572
  C      -5.233036     -0.646249      3.095786
  O      -5.488407     -1.849603      3.140285
  N      -4.275174     -0.055264      3.908464
  C      -3.537571     -0.797937      4.749993
  C      -5.192629      1.448963      1.713002
  C      -7.030910     10.472133     -1.256068
  C      -6.926308      9.105366     -0.614428
  O      -7.538145      8.144724     -1.076765
  C      -6.061142      8.953162      0.593961
  C      -5.261749      9.995735      1.093327
  C      -4.462660      9.788226      2.211328
  C      -4.450411      8.537496      2.827530
  F      -3.669911      8.412088      3.919641
  C      -5.231900      7.465347      2.364096
  C      -5.280191      6.073342      2.933250
  O      -6.243993      5.345200      2.664204
  N      -4.202017      5.724009      3.731262
  C      -4.081838      4.431597      3.954933
  C      -6.038350      7.718676      1.249693
  C     -13.178249     -1.022726      2.217073
  C     -12.075424     -1.154437      3.246685
  O     -12.011576     -2.143038      3.971659
  C     -11.075089     -0.051044      3.360701
  C     -11.125059      1.096952      2.548002
  C     -10.173299      2.099830      2.686689
  C      -9.157640      1.946588      3.629497
  F      -8.273665      2.956059      3.740756
  C      -9.062833      0.816081      4.458183
  C      -8.013561      0.620997      5.517002
  O      -8.272480     -0.063484      6.515504
  N      -6.794923      1.211444      5.260884
  C      -6.118725      1.638822      6.298694
  C     -10.051443     -0.160637      4.307689
  H      -6.449170      4.887797     -0.330635
  H      -4.772455      5.306931     -0.793989
  H      -5.634917      3.949196     -1.591903
  H      -7.453348      2.755874     -0.471906
  H      -8.677300      0.695757      0.224694
  H      -3.604396     -1.889097      4.846900
  H      -4.187279      1.660252      2.089082
  H      -7.363180     11.226826     -0.527519
  H      -6.048819     10.797354     -1.633264
  H      -7.740610     10.423516     -2.088637
  H      -5.257760     10.974237      0.612650
  H      -3.841399     10.583077      2.624671
  H      -4.771405      3.703054      3.463908
  H      -6.671704      6.910647      0.885827
  H     -13.839474     -1.893088      2.287817
  H     -12.755178     -0.968941      1.202095
  H     -13.759259     -0.102165      2.374823
  H     -11.914647      1.215615      1.805596
  H     -10.194280      3.002327      2.075616
  H      -6.623997      1.738936      7.277596
  H     -10.010416     -1.040579      4.951261
  N      -1.932370      1.701515      3.355040
  N      -1.082080      1.591908      2.616597
88
Coordinates from ORCA-job orca E -6723.636609927629
  N      -2.732580     -0.001676      5.450480
  Mo     -3.424142      1.807576      4.720756
  N      -4.830799      2.031758      6.252927
  C      -4.313403      2.807370      7.379270
  C      -2.878729      2.398041      7.671430
  N      -2.048791      2.270891      6.415019
  C      -1.053886      1.159722      6.584293
  C      -1.775210     -0.181960      6.504158
  C      -1.305766      3.532197      6.085128
  C      -2.249980      4.578403      5.518798
  N      -3.189414      3.850265      4.689012
  H      -1.056069     -0.986623      6.282537
  H      -2.279844     -0.435808      7.452088
  H      -0.342397      1.238617      5.753136
  H      -0.508798      1.284109      7.532836
  H      -2.784921      5.137442      6.303506
  H      -1.691974      5.320164      4.926136
  H      -0.772731      3.893057      6.979137
  H      -0.566605      3.260852      5.321355
  H      -4.916098      2.651857      8.290004
  H      -4.371314      3.881480      7.137743
  H      -2.888369      1.412576      8.152837
  H      -2.385176      3.105471      8.355522
  C      -5.653363      4.421860     -0.577933
  C      -5.031501      3.452858      0.394957
  O      -3.903004      3.633941      0.838674
  C      -5.819065      2.251505      0.805397
  C      -7.093667      1.963766      0.291047
  C      -7.771071      0.817135      0.694077
  C      -7.180056     -0.038122      1.621140
  F      -7.874445     -1.124516      1.994097
  C      -5.916716      0.223249      2.181234
  C      -5.263344     -0.698534      3.159588
  O      -5.510380     -1.901973      3.227107
  N      -4.293936     -0.088089      3.953676
  C      -3.537862     -0.814753      4.799937
  C      -5.259131      1.372500      1.738530
  C      -6.932844     10.581134     -1.231574
  C      -6.848249      9.203105     -0.617187
  O      -7.454094      8.257916     -1.114681
  C      -6.005828      9.019790      0.604388
  C      -5.221972     10.053500      1.150219
  C      -4.450028      9.821766      2.284055
  C      -4.450493      8.556025      2.871183
  F      -3.699018      8.409709      3.982738
  C      -5.216149      7.490527      2.360151
  C      -5.282671      6.087043      2.903670
  O      -6.211906      5.345994      2.552832
  N      -4.214963      5.717235      3.706917
  C      -4.098155      4.421253      3.912275
  C      -5.992431      7.767499      1.228046
  C     -13.071753     -1.078369      2.118001
  C     -11.997646     -1.180512      3.180163
  O     -11.927206     -2.168313      3.907831
  C     -11.020542     -0.056808      3.309019
  C     -11.070565      1.084975      2.489062
  C     -10.145201      2.107775      2.651710
  C      -9.151406      1.980659      3.618561
  F      -8.293442      3.014295      3.749512
  C      -9.057065      0.857818      4.455221
  C      -8.036672      0.697218      5.550422
  O      -8.319800      0.043402      6.562661
  N      -6.797590      1.231173      5.286471
  C      -6.116075      1.666551      6.318013
  C     -10.020556     -0.142511      4.285945
  H      -6.605353      4.805568     -0.190403
  H      -4.968015      5.259399     -0.746962
  H      -5.870411      3.921864     -1.533784
  H      -7.564771      2.634620     -0.428007
  H      -8.762540      0.574367      0.314902
  H      -3.600800     -1.905848      4.920459
  H      -4.246275      1.592293      2.090151
  H      -7.276337     11.318965     -0.495008
  H      -5.943614     10.908753     -1.578583
  H      -7.624502     10.554977     -2.080987
  H      -5.210517     11.044545      0.694770
  H      -3.842385     10.609643      2.733477
  H      -4.793327      3.704604      3.414435
  H      -6.612682      6.965431      0.826079
  H     -13.708035     -1.964613      2.169958
  H     -12.619211     -1.009630      1.116464
  H     -13.687543     -0.174210      2.259779
  H     -11.844585      1.185949      1.724073
  H     -10.174854      3.013497      2.043105
  H      -6.620290      1.795649      7.293725
  H      -9.981968     -1.014367      4.935012
  N      -1.961828      1.664911      3.334526
  N      -1.121628      1.546997      2.586990
88
Coordinates from ORCA-job orca E -6723.637062559567
  N      -2.731022      0.000187      5.454807
  Mo     -3.433548      1.798695      4.709516
  N      -4.845948      2.026481      6.236280
  C      -4.335514      2.812496      7.358758
  C      -2.899013      2.414288      7.656692
  N      -2.065239      2.284182      6.403305
  C      -1.062902      1.181447      6.583421
  C      -1.774747     -0.165953      6.512018
  C      -1.330765      3.548538      6.065192
  C      -2.281854      4.583747      5.490644
  N      -3.214002      3.843948      4.661884
  H      -1.049771     -0.967123      6.297546
  H      -2.279590     -0.416492      7.460657
  H      -0.350312      1.259006      5.753118
  H      -0.520540      1.317067      7.532199
  H      -2.822776      5.143222      6.270937
  H      -1.728695      5.326884      4.895066
  H      -0.800979      3.919594      6.957143
  H      -0.588994      3.277070      5.303908
  H      -4.938899      2.658802      8.269341
  H      -4.400152      3.884656      7.110416
  H      -2.903311      1.431891      8.144637
  H      -2.411646      3.129441      8.337311
  C      -5.523812      4.385909     -0.597881
  C      -4.920264      3.405999      0.376726
  O      -3.799087      3.580104      0.843068
  C      -5.718282      2.202086      0.762113
  C      -6.972048      1.906087      0.203341
  C      -7.657851      0.756862      0.584876
  C      -7.097723     -0.091982      1.536483
  F      -7.799681     -1.181072      1.888089
  C      -5.857744      0.178998      2.141567
  C      -5.234361     -0.731459      3.147654
  O      -5.479999     -1.934078      3.222695
  N      -4.283771     -0.108916      3.952948
  C      -3.530712     -0.823331      4.810915
  C      -5.189507      1.329160      1.718212
  C      -6.948666     10.652443     -1.185536
  C      -6.863388      9.262424     -0.597597
  O      -7.464245      8.325107     -1.115535
  C      -6.024673      9.057745      0.623118
  C      -5.252594     10.085212      1.195815
  C      -4.485702      9.835027      2.328716
  C      -4.480279      8.557457      2.888592
  F      -3.734555      8.393969      4.001419
  C      -5.234245      7.497375      2.350281
  C      -5.293714      6.083130      2.865091
  O      -6.226929      5.349262      2.510604
  N      -4.233830      5.708767      3.676105
  C      -4.118668      4.411831      3.877913
  C      -6.004750      7.792346      1.219007
  C     -13.175105     -1.038001      2.227516
  C     -12.090624     -1.145498      3.278641
  O     -12.035674     -2.119573      4.025597
  C     -11.081859     -0.046215      3.370338
  C     -11.111671      1.078655      2.526736
  C     -10.153756      2.076796      2.652218
  C      -9.152619      1.943513      3.610169
  F      -8.253305      2.946232      3.699584
  C      -9.079816      0.838309      4.470553
  C      -8.049586      0.676164      5.555268
  O      -8.339958      0.061331      6.589982
  N      -6.810142      1.204399      5.276821
  C      -6.130842      1.660120      6.301610
  C     -10.071812     -0.138508      4.336430
  H      -6.483073      4.764524     -0.221145
  H      -4.835250      5.224825     -0.743767
  H      -5.722512      3.898473     -1.564465
  H      -7.420134      2.571917     -0.534338
  H      -8.634584      0.508956      0.171493
  H      -3.587545     -1.912891      4.940358
  H      -4.190830      1.554073      2.105313
  H      -7.298283     11.375454     -0.435625
  H      -5.957705     10.989981     -1.521580
  H      -7.635911     10.641115     -2.038412
  H      -5.246406     11.085815      0.762099
  H      -3.887059     10.617259      2.798451
  H      -4.808082      3.697171      3.371871
  H      -6.612886      6.993665      0.793277
  H     -13.832019     -1.908634      2.303854
  H     -12.734287     -0.997733      1.219347
  H     -13.767131     -0.117847      2.360493
  H     -11.889966      1.183286      1.768399
  H     -10.160978      2.964726      2.018645
  H      -6.636687      1.798583      7.275145
  H     -10.049270     -0.997455      5.005203
  N      -1.967216      1.657145      3.327314
  N      -1.124451      1.541147      2.582446
88
Coordinates from ORCA-job orca E -6723.636434975036
  N      -2.721037     -0.007505      5.494780
  Mo     -3.414051      1.776082      4.705420
  N      -4.833669      2.045895      6.217327
  C      -4.326243      2.850464      7.328669
  C      -2.891786      2.453974      7.640414
  N      -2.051780      2.295751      6.393961
  C      -1.052955      1.194046      6.603825
  C      -1.768361     -0.153819      6.559175
  C      -1.311916      3.551178      6.029310
  C      -2.257478      4.576053      5.426411
  N      -3.188401      3.820357      4.608544
  H      -1.044786     -0.961112      6.364226
  H      -2.277111     -0.383423      7.511281
  H      -0.336290      1.251533      5.775185
  H      -0.513959      1.349325      7.552204
  H      -2.800763      5.154311      6.191193
  H      -1.700086      5.305420      4.817237
  H      -0.783503      3.941322      6.914383
  H      -0.568130      3.259837      5.277135
  H      -4.934338      2.714540      8.239023
  H      -4.386777      3.918544      7.061028
  H      -2.901534      1.481045      8.147657
  H      -2.405108      3.180890      8.309364
  C      -5.597570      4.308443     -0.557846
  C      -4.985754      3.346646      0.430121
  O      -3.854778      3.528958      0.884064
  C      -5.779806      2.145257      0.842658
  C      -7.043342      1.839892      0.312048
  C      -7.715117      0.689326      0.712613
  C      -7.132323     -0.153743      1.654348
  F      -7.823529     -1.243983      2.027781
  C      -5.881569      0.124516      2.229515
  C      -5.231842     -0.779060      3.221264
  O      -5.489931     -1.975898      3.330507
  N      -4.275064     -0.144792      4.001183
  C      -3.524290     -0.841671      4.869806
  C      -5.229478      1.278674      1.791485
  C      -7.023927     10.732326     -1.093074
  C      -6.906421      9.319479     -0.560167
  O      -7.507817      8.391673     -1.096095
  C      -6.047498      9.083756      0.639844
  C      -5.288197     10.101728      1.240382
  C      -4.501929      9.822555      2.351284
  C      -4.464528      8.525809      2.860673
  F      -3.701180      8.333436      3.955263
  C      -5.204129      7.474560      2.292740
  C      -5.225254      6.041797      2.750701
  O      -6.189021      5.328259      2.445218
  N      -4.177999      5.675585      3.580298
  C      -4.081140      4.381060      3.806994
  C      -5.996759      7.798153      1.186605
  C     -13.134280     -0.973452      2.122898
  C     -12.053347     -1.101446      3.176154
  O     -12.027087     -2.068318      3.931445
  C     -11.039429     -0.009506      3.289808
  C     -11.051682      1.119773      2.452058
  C     -10.084241      2.108973      2.588455
  C      -9.096464      1.961924      3.558584
  F      -8.180806      2.945783      3.660211
  C      -9.047059      0.855690      4.419108
  C      -8.029909      0.684223      5.512888
  O      -8.342844      0.083853      6.550005
  N      -6.787316      1.219296      5.245830
  C      -6.122874      1.694243      6.272538
  C     -10.045099     -0.110760      4.269866
  H      -6.554839      4.696723     -0.176712
  H      -4.907784      5.141855     -0.723401
  H      -5.803075      3.804941     -1.515557
  H      -7.510001      2.499460     -0.418847
  H      -8.700874      0.436001      0.322111
  H      -3.587459     -1.924958      5.025601
  H      -4.223786      1.507877      2.155723
  H      -7.372515     11.423584     -0.308192
  H      -6.041890     11.099729     -1.435357
  H      -7.726160     10.741833     -1.932531
  H      -5.306723     11.117477      0.845368
  H      -3.912273     10.595892      2.841936
  H      -4.769438      3.665705      3.304664
  H      -6.593099      7.005374      0.737621
  H     -13.807157     -1.837575      2.192418
  H     -12.692783     -0.934332      1.115560
  H     -13.708330     -0.047076      2.260098
  H     -11.816872      1.232479      1.686069
  H     -10.071858      2.994613      1.954347
  H      -6.641715      1.850700      7.236700
  H     -10.038696     -0.975266      4.938500
  N      -1.942952      1.596513      3.332387
  N      -1.097357      1.460545      2.593112
88
Coordinates from ORCA-job orca E -6723.637090388001
  N      -2.722377     -0.000446      5.469264
  Mo     -3.432609      1.792511      4.716968
  N      -4.833425      2.033731      6.250660
  C      -4.314806      2.822480      7.368164
  C      -2.875221      2.426333      7.655114
  N      -2.050884      2.290908      6.395670
  C      -1.045149      1.190342      6.575255
  C      -1.755558     -0.159445      6.518687
  C      -1.320935      3.554570      6.040994
  C      -2.278216      4.585004      5.467132
  N      -3.217059      3.839225      4.649031
  H      -1.031444     -0.960516      6.301504
  H      -2.250769     -0.406050      7.473488
  H      -0.339651      1.263657      5.738428
  H      -0.494604      1.333090      7.518741
  H      -2.813656      5.148353      6.248403
  H      -1.732049      5.326505      4.862796
  H      -0.782182      3.932682      6.924898
  H      -0.586370      3.277722      5.274473
  H      -4.910679      2.669613      8.283862
  H      -4.382455      3.894497      7.118660
  H      -2.875060      1.445526      8.146636
  H      -2.382557      3.144232      8.329286
  C      -5.535344      4.253759     -0.689663
  C      -4.934557      3.298848      0.311324
  O      -3.788309      3.451053      0.732472
  C      -5.757742      2.136282      0.771509
  C      -7.035142      1.852474      0.263113
  C      -7.731390      0.729349      0.697934
  C      -7.158451     -0.107709      1.651238
  F      -7.871684     -1.172795      2.054538
  C      -5.896210      0.153640      2.210233
  C      -5.257432     -0.747994      3.212722
  O      -5.512790     -1.946296      3.314356
  N      -4.294948     -0.120674      3.993444
  C      -3.531152     -0.828015      4.842678
  C      -5.220030      1.280354      1.737688
  C      -6.969634     10.680646     -1.147429
  C      -6.873042      9.282761     -0.574884
  O      -7.468155      8.345154     -1.100202
  C      -6.042636      9.073897      0.650162
  C      -5.290582     10.103329      1.241589
  C      -4.530112      9.848726      2.376502
  C      -4.511239      8.564988      2.919399
  F      -3.772990      8.397182      4.035420
  C      -5.245743      7.503275      2.362663
  C      -5.287443      6.082739      2.857413
  O      -6.233248      5.356736      2.523282
  N      -4.227021      5.709300      3.666878
  C      -4.122109      4.411132      3.869379
  C      -6.011382      7.802299      1.230421
  C     -13.107479     -0.991292      2.120112
  C     -12.023633     -1.121988      3.169718
  O     -11.975076     -2.107181      3.900496
  C     -11.033649     -0.011208      3.309278
  C     -11.071255      1.137845      2.499281
  C     -10.126932      2.144894      2.661104
  C      -9.133735      1.994857      3.625618
  F      -8.247765      3.002811      3.756464
  C      -9.058315      0.867724      4.458360
  C      -8.037841      0.690535      5.549185
  O      -8.338862      0.059468      6.571126
  N      -6.796390      1.227633      5.283884
  C      -6.121558      1.680000      6.313705
  C     -10.036143     -0.115578      4.285987
  H      -6.466602      4.688635     -0.296581
  H      -4.819486      5.055597     -0.897163
  H      -5.783761      3.730837     -1.626677
  H      -7.492169      2.505694     -0.479933
  H      -8.727362      0.492530      0.323822
  H      -3.588723     -1.914479      4.982925
  H      -4.203244      1.490099      2.082962
  H      -7.332315     11.393318     -0.390484
  H      -5.978611     11.033435     -1.475099
  H      -7.651920     10.671484     -2.003594
  H      -5.294325     11.108756      0.820423
  H      -3.946393     10.631739      2.860397
  H      -4.815377      3.703212      3.364543
  H      -6.601740      7.000760      0.787413
  H     -13.759734     -1.870756      2.167698
  H     -12.667003     -0.916229      1.114168
  H     -13.703543     -0.081354      2.281105
  H     -11.841190      1.253436      1.737151
  H     -10.136961      3.047957      2.050767
  H      -6.631319      1.821507      7.284870
  H     -10.010450     -0.995186      4.931780
  N      -1.978765      1.640878      3.322183
  N      -1.142473      1.520461      2.570147
88
Coordinates from ORCA-job orca E -6723.636130916583
  N      -2.696942     -0.003992      5.451196
  Mo     -3.430520      1.780044      4.699187
  N      -4.830453      2.010795      6.236045
  C      -4.316245      2.806279      7.350336
  C      -2.873942      2.421846      7.635735
  N      -2.051216      2.293012      6.375448
  C      -1.032775      1.205126      6.553790
  C      -1.727066     -0.151786      6.498656
  C      -1.336342      3.563126      6.020318
  C      -2.305973      4.582845      5.450995
  N      -3.236692      3.830317      4.629875
  H      -0.994042     -0.944369      6.279740
  H      -2.217497     -0.403899      7.454197
  H      -0.329527      1.285982      5.715952
  H      -0.482966      1.354935      7.495923
  H      -2.847175      5.137529      6.234456
  H      -1.769237      5.332252      4.848831
  H      -0.800173      3.945860      6.903328
  H      -0.600852      3.294497      5.251989
  H      -4.909176      2.650322      8.267357
  H      -4.392977      3.877013      7.098976
  H      -2.864614      1.441772      8.127839
  H      -2.386485      3.144477      8.308254
  C      -5.649175      4.356949     -0.521622
  C      -5.032751      3.400023      0.465699
  O      -3.942364      3.627294      0.976930
  C      -5.787356      2.160004      0.822803
  C      -7.014941      1.816689      0.233396
  C      -7.658842      0.635631      0.588474
  C      -7.081645     -0.200662      1.541240
  F      -7.739372     -1.325905      1.861385
  C      -5.867159      0.115598      2.176205
  C      -5.226715     -0.780312      3.186679
  O      -5.434865     -1.990519      3.252396
  N      -4.272305     -0.142117      3.976416
  C      -3.497669     -0.841951      4.827947
  C      -5.241051      1.298699      1.780058
  C      -6.853246     10.689156     -1.202801
  C      -6.783026      9.294966     -0.623625
  O      -7.352240      8.358064     -1.176563
  C      -5.993155      9.084631      0.628760
  C      -5.264037     10.116080      1.249569
  C      -4.545471      9.862197      2.413161
  C      -4.544171      8.576673      2.955077
  F      -3.849069      8.410407      4.100260
  C      -5.254918      7.511919      2.368104
  C      -5.319011      6.091363      2.866335
  O      -6.208427      5.342401      2.435809
  N      -4.259258      5.705960      3.672655
  C      -4.142900      4.404471      3.850431
  C      -5.978488      7.810648      1.206771
  C     -13.164152     -1.006059      2.205586
  C     -12.103587     -1.095509      3.282044
  O     -12.073342     -2.050048      4.055700
  C     -11.076240     -0.011935      3.354190
  C     -11.071948      1.085075      2.473509
  C     -10.097241      2.068535      2.581471
  C      -9.112752      1.946950      3.558518
  F      -8.199031      2.938353      3.631806
  C      -9.073889      0.868762      4.455727
  C      -8.062339      0.724097      5.560943
  O      -8.379084      0.143278      6.606620
  N      -6.804724      1.208552      5.280774
  C      -6.119371      1.659428      6.303744
  C     -10.082424     -0.092903      4.338723
  H      -6.638960      4.678084     -0.175430
  H      -5.001093      5.232923     -0.633291
  H      -5.783399      3.871487     -1.499336
  H      -7.477485      2.472925     -0.504563
  H      -8.617577      0.354828      0.155202
  H      -3.542614     -1.931150      4.970295
  H      -4.261047      1.561572      2.192017
  H      -7.245003     11.401052     -0.464900
  H      -5.851759     11.039052     -1.487808
  H      -7.499517     10.679503     -2.087513
  H      -5.255267     11.123005      0.830487
  H      -3.982220     10.647683      2.921138
  H      -4.832592      3.700797      3.334424
  H      -6.556189      7.009512      0.743505
  H     -13.830285     -1.867072      2.290864
  H     -12.702597     -0.994709      1.205930
  H     -13.750971     -0.076938      2.303994
  H     -11.837549      1.179818      1.699672
  H     -10.076091      2.932908      1.916602
  H      -6.626473      1.818973      7.273210
  H     -10.087355     -0.929810      5.033066
  N      -1.976945      1.643530      3.302244
  N      -1.140706      1.532931      2.549896
88
Coordinates from ORCA-job orca E -6723.637594634049
  N      -2.693238     -0.005408      5.473171
  Mo     -3.424729      1.774293      4.708442
  N      -4.824529      2.017818      6.242497
  C      -4.309584      2.816995      7.354327
  C      -2.866463      2.434346      7.640017
  N      -2.044009      2.298260      6.379788
  C      -1.026052      1.210441      6.565484
  C      -1.721837     -0.146996      6.520752
  C      -1.328400      3.566195      6.013770
  C      -2.297552      4.582666      5.436463
  N      -3.230349      3.824317      4.621719
  H      -0.989757     -0.941672      6.306489
  H      -2.211430     -0.392405      7.478686
  H      -0.323146      1.284829      5.726587
  H      -0.475182      1.366548      7.506467
  H      -2.837694      5.144052      6.215852
  H      -1.760832      5.327413      4.828052
  H      -0.790481      3.955626      6.893135
  H      -0.593828      3.290909      5.246738
  H      -4.901968      2.664227      8.272291
  H      -4.386754      3.886973      7.099201
  H      -2.856868      1.456509      8.137149
  H      -2.378313      3.160319      8.308714
  C      -5.602634      4.252855     -0.611522
  C      -4.981884      3.292808      0.371400
  O      -3.845751      3.469563      0.806325
  C      -5.777350      2.101851      0.806625
  C      -7.041255      1.789903      0.280511
  C      -7.711692      0.643326      0.694504
  C      -7.126923     -0.188607      1.645471
  F      -7.813011     -1.278954      2.025830
  C      -5.878455      0.100329      2.222376
  C      -5.228167     -0.792827      3.226377
  O      -5.469011     -1.994177      3.329633
  N      -4.271382     -0.152085      4.005453
  C      -3.497992     -0.846042      4.858772
  C      -5.227012      1.248790      1.768415
  C      -6.924704     10.709506     -1.155434
  C      -6.833053      9.305977     -0.597445
  O      -7.398228      8.369511     -1.156335
  C      -6.031731      9.087372      0.645554
  C      -5.311728     10.117834      1.275200
  C      -4.580441      9.855513      2.427882
  C      -4.558128      8.562885      2.949974
  F      -3.852001      8.387140      4.085999
  C      -5.259698      7.499591      2.354070
  C      -5.296906      6.071487      2.828319
  O      -6.221743      5.337539      2.453614
  N      -4.242027      5.694853      3.644493
  C      -4.134810      4.394882      3.838852
  C      -5.997093      7.806054      1.204740
  C     -13.119771     -0.946839      2.111935
  C     -12.051123     -1.073602      3.177254
  O     -12.005588     -2.061662      3.904890
  C     -11.045114      0.024242      3.306294
  C     -11.065118      1.165527      2.484676
  C     -10.108293      2.161444      2.639926
  C      -9.118826      2.006865      3.607244
  F      -8.220806      3.005452      3.731553
  C      -9.058943      0.886165      4.449381
  C      -8.043342      0.708236      5.545033
  O      -8.354738      0.091471      6.572082
  N      -6.792408      1.220239      5.275918
  C      -6.114704      1.671005      6.304660
  C     -10.049473     -0.086045      4.285011
  H      -6.548448      4.648697     -0.215181
  H      -4.910141      5.081102     -0.793892
  H      -5.827208      3.745617     -1.562320
  H      -7.508309      2.440169     -0.459180
  H      -8.696578      0.384895      0.306535
  H      -3.545658     -1.932243      5.009853
  H      -4.220844      1.483045      2.130009
  H      -7.320076     11.407754     -0.402762
  H      -5.927853     11.076468     -1.444374
  H      -7.577853     10.704727     -2.034376
  H      -5.319186     11.130402      0.871019
  H      -4.023349     10.639280      2.942170
  H      -4.824774      3.689955      3.327518
  H      -6.564484      7.003986      0.732464
  H     -13.772917     -1.824549      2.154754
  H     -12.665741     -0.875717      1.111675
  H     -13.718218     -0.035342      2.261854
  H     -11.833365      1.285229      1.720114
  H     -10.105917      3.059535      2.021929
  H      -6.626272      1.824887      7.272886
  H     -10.037707     -0.959084      4.938188
  N      -1.972561      1.626038      3.311051
  N      -1.136818      1.509335      2.558192
88
Coordinates from ORCA-job orca E -6723.637779136411
  N      -2.662412     -0.009560      5.489789
  Mo     -3.413263      1.756232      4.710119
  N      -4.805568      2.010810      6.247733
  C      -4.288920      2.819062      7.352480
  C      -2.841313      2.448135      7.630964
  N      -2.025803      2.307861      6.366445
  C      -0.996994      1.230979      6.556371
  C      -1.681241     -0.132867      6.530750
  C      -1.323313      3.577869      5.982302
  C      -2.303987      4.580503      5.400946
  N      -3.235279      3.808239      4.596045
  H      -0.944179     -0.923289      6.317954
  H      -2.160826     -0.373258      7.495015
  H      -0.300558      1.302649      5.711835
  H      -0.440851      1.401777      7.491823
  H      -2.844889      5.144131      6.178144
  H      -1.777129      5.324987      4.783662
  H      -0.782308      3.980669      6.853822
  H      -0.591813      3.300220      5.213127
  H      -4.874685      2.667426      8.274904
  H      -4.374838      3.887182      7.092123
  H      -2.821816      1.473930      8.134976
  H      -2.353656      3.182170      8.291248
  C      -5.671832      4.166129     -0.595782
  C      -5.036337      3.223336      0.394611
  O      -3.895896      3.410814      0.815868
  C      -5.818803      2.030273      0.848830
  C      -7.083974      1.701079      0.336658
  C      -7.740420      0.552684      0.767946
  C      -7.140069     -0.264882      1.721350
  F      -7.814410     -1.356161      2.120695
  C      -5.888396      0.039959      2.282347
  C      -5.219262     -0.838661      3.285817
  O      -5.447515     -2.041011      3.402899
  N      -4.256797     -0.183536      4.044151
  C      -3.468871     -0.862546      4.895275
  C      -5.252412      1.190818      1.813006
  C      -6.937230     10.724809     -1.136458
  C      -6.825774      9.312207     -0.604371
  O      -7.369321      8.376618     -1.185787
  C      -6.049501      9.086906      0.653166
  C      -5.367499     10.120133      1.318761
  C      -4.659439      9.851902      2.484280
  C      -4.622398      8.550738      2.983168
  F      -3.942839      8.368571      4.134175
  C      -5.285719      7.484552      2.350938
  C      -5.305039      6.048651      2.800793
  O      -6.216184      5.308259      2.406018
  N      -4.251489      5.675087      3.619843
  C      -4.142060      4.374636      3.812225
  C      -6.001453      7.796528      1.189786
  C     -13.079304     -0.831254      2.009751
  C     -12.005454     -1.001411      3.063863
  O     -11.978564     -2.001640      3.775174
  C     -11.004679      0.094736      3.239858
  C     -11.020856      1.262544      2.456508
  C     -10.067116      2.254902      2.651450
  C      -9.086118      2.070243      3.621907
  F      -8.188085      3.062922      3.785622
  C      -9.032842      0.924030      4.429469
  C      -8.026066      0.716828      5.528034
  O      -8.352198      0.095436      6.547607
  N      -6.770434      1.225227      5.272588
  C      -6.098111      1.673377      6.306266
  C     -10.019403     -0.044137      4.225318
  H      -6.617137      4.560258     -0.194882
  H      -4.986287      4.996493     -0.793437
  H      -5.899841      3.646177     -1.539227
  H      -7.563656      2.340004     -0.404704
  H      -8.726575      0.281763      0.391334
  H      -3.509562     -1.946398      5.061522
  H      -4.244556      1.436193      2.162428
  H      -7.362386     11.399796     -0.377887
  H      -5.942845     11.118911     -1.398907
  H      -7.573356     10.723627     -2.027635
  H      -5.387004     11.139550      0.932949
  H      -4.132677     10.637312      3.026552
  H      -4.831160      3.670354      3.301530
  H      -6.539263      6.991928      0.688734
  H     -13.739473     -1.705422      2.026984
  H     -12.630895     -0.729802      1.009774
  H     -13.669261      0.078855      2.193934
  H     -11.782038      1.405284      1.689639
  H     -10.060978      3.172413      2.062789
  H      -6.614246      1.831707      7.271336
  H     -10.012417     -0.938331      4.850500
  N      -1.970072      1.601206      3.303745
  N      -1.138832      1.482384      2.546160
88
Coordinates from ORCA-job orca E -6723.638010705519
  N      -2.630925     -0.016515      5.507832
  Mo     -3.406904      1.730843      4.708268
  N      -4.783538      2.005968      6.254663
  C      -4.259511      2.828038      7.345736
  C      -2.806498      2.469414      7.610855
  N      -2.004787      2.318457      6.338727
  C      -0.963373      1.254653      6.533084
  C      -1.634517     -0.115768      6.536834
  C      -1.318648      3.588190      5.926379
  C      -2.314008      4.573445      5.341669
  N      -3.247568      3.784417      4.553632
  H      -0.892864     -0.902151      6.324976
  H      -2.098504     -0.346887      7.510896
  H      -0.277484      1.319542      5.679419
  H      -0.397878      1.445469      7.459022
  H      -2.852384      5.142192      6.116840
  H      -1.800484      5.315248      4.710330
  H      -0.770417      4.008806      6.784887
  H      -0.594160      3.304296      5.152835
  H      -4.833875      2.681750      8.276242
  H      -4.355391      3.893075      7.076050
  H      -2.774755      1.501379      8.125882
  H      -2.315677      3.214289      8.256476
  C      -5.744916      4.060348     -0.569417
  C      -5.092472      3.128537      0.419966
  O      -3.946332      3.321735      0.822410
  C      -5.864585      1.937736      0.897713
  C      -7.133034      1.593982      0.403252
  C      -7.776717      0.445739      0.854219
  C      -7.160411     -0.357484      1.809565
  F      -7.822156     -1.449353      2.228100
  C      -5.905387     -0.036865      2.354034
  C      -5.219353     -0.897016      3.361738
  O      -5.435916     -2.099558      3.497650
  N      -4.249204     -0.225155      4.095043
  C      -3.442952     -0.884885      4.944251
  C      -5.282920      1.113020      1.865360
  C      -6.927074     10.765867     -1.106545
  C      -6.806521      9.342891     -0.604945
  O      -7.304669      8.411238     -1.231448
  C      -6.068960      9.100936      0.672699
  C      -5.440044     10.131971      1.391958
  C      -4.768737      9.849020      2.575727
  C      -4.714747      8.535249      3.038609
  F      -4.077044      8.336557      4.210906
  C      -5.324224      7.471044      2.351845
  C      -5.321845      6.024064      2.763955
  O      -6.223043      5.281907      2.349891
  N      -4.268223      5.649447      3.582705
  C      -4.159015      4.347646      3.771784
  C      -6.005428      7.796941      1.173974
  C     -13.014854     -0.728700      1.894311
  C     -11.970425     -0.909310      2.975887
  O     -11.954611     -1.922315      3.669220
  C     -10.966701      0.179189      3.181230
  C     -10.962187      1.354756      2.409517
  C     -10.005956      2.339424      2.630572
  C      -9.043618      2.138432      3.616134
  F      -8.138908      3.120626      3.804023
  C      -9.011562      0.984129      4.413085
  C      -8.022254      0.762579      5.524931
  O      -8.370404      0.149743      6.541876
  N      -6.754528      1.244505      5.278622
  C      -6.080896      1.687799      6.313572
  C      -9.999780      0.024018      4.182552
  H      -6.682688      4.458171     -0.154983
  H      -5.063131      4.888984     -0.786371
  H      -5.987535      3.531165     -1.504031
  H      -7.625520      2.221805     -0.339298
  H      -8.765542      0.164979      0.492152
  H      -3.475613     -1.965523      5.132356
  H      -4.272863      1.368662      2.202174
  H      -7.399400     11.411633     -0.350599
  H      -5.931974     11.188323     -1.316418
  H      -7.525138     10.773681     -2.023705
  H      -5.473592     11.161322      1.034539
  H      -4.285160     10.632137      3.160054
  H      -4.851910      3.646330      3.265380
  H      -6.501660      6.993369      0.629901
  H     -13.670868     -1.605857      1.880201
  H     -12.540117     -0.609430      0.908526
  H     -13.614327      0.175709      2.076516
  H     -11.708637      1.509596      1.630489
  H      -9.983248      3.262157      2.050529
  H      -6.598223      1.860789      7.275382
  H     -10.009567     -0.876991      4.797610
  N      -1.979815      1.562093      3.286377
  N      -1.157038      1.438130      2.520585
88
Coordinates from ORCA-job orca E -6723.638241779806
  N      -2.598469     -0.017744      5.501321
  Mo     -3.403834      1.719611      4.704230
  N      -4.768094      1.989993      6.261104
  C      -4.241589      2.814127      7.349251
  C      -2.783131      2.468865      7.598922
  N      -1.993033      2.325655      6.319009
  C      -0.936318      1.275751      6.506197
  C      -1.589629     -0.103167      6.519243
  C      -1.327256      3.602577      5.896965
  C      -2.339360      4.574735      5.320126
  N      -3.271205      3.776580      4.536902
  H      -0.840151     -0.880007      6.299721
  H      -2.039654     -0.339484      7.498497
  H      -0.258640      1.347067      5.646496
  H      -0.365009      1.476156      7.426475
  H      -2.878861      5.136397      6.099638
  H      -1.840274      5.323613      4.685889
  H      -0.775712      4.031586      6.749151
  H      -0.606824      3.325188      5.117265
  H      -4.805369      2.659217      8.284955
  H      -4.350854      3.879107      7.083894
  H      -2.737205      1.500621      8.112232
  H      -2.292559      3.217707      8.240047
  C      -5.790734      4.001601     -0.572981
  C      -5.127759      3.082015      0.420090
  O      -3.984653      3.291121      0.822428
  C      -5.887853      1.888865      0.911348
  C      -7.154994      1.528589      0.424862
  C      -7.783068      0.374704      0.883089
  C      -7.152945     -0.418069      1.837962
  F      -7.796322     -1.519849      2.259320
  C      -5.900705     -0.079096      2.377859
  C      -5.200727     -0.928847      3.385492
  O      -5.411186     -2.131566      3.532173
  N      -4.232724     -0.246837      4.112063
  C      -3.411348     -0.895948      4.955027
  C      -5.293847      1.075934      1.881863
  C      -6.841099     10.775693     -1.130549
  C      -6.728113      9.349879     -0.635736
  O      -7.173225      8.417234     -1.299686
  C      -6.057381      9.105592      0.677709
  C      -5.489640     10.139414      1.442803
  C      -4.878749      9.854782      2.658716
  C      -4.822972      8.536115      3.107130
  F      -4.248263      8.331323      4.310914
  C      -5.371933      7.469987      2.375038
  C      -5.360938      6.019528      2.771939
  O      -6.249000      5.274406      2.335855
  N      -4.304550      5.645083      3.587515
  C      -4.190471      4.341103      3.764502
  C      -5.995413      7.796338      1.165972
  C     -12.999008     -0.674065      1.862647
  C     -11.962498     -0.861237      2.950651
  O     -11.942401     -1.884882      3.628130
  C     -10.960641      0.226207      3.169988
  C     -10.955602      1.409442      2.409969
  C     -10.001129      2.393107      2.642861
  C      -9.040967      2.182669      3.628933
  F      -8.139718      3.164398      3.831666
  C      -9.008531      1.019611      4.413607
  C      -8.021796      0.789174      5.526210
  O      -8.372775      0.167739      6.536177
  N      -6.748572      1.257376      5.281557
  C      -6.069090      1.685480      6.318566
  C      -9.994925      0.061104      4.171000
  H      -6.726100      4.401036     -0.155406
  H      -5.113525      4.830786     -0.802302
  H      -6.037031      3.462243     -1.500542
  H      -7.658601      2.148356     -0.317217
  H      -8.771031      0.082996      0.527966
  H      -3.432253     -1.976020      5.149357
  H      -4.285610      1.345163      2.215307
  H      -7.370951     11.405320     -0.400070
  H      -5.842693     11.216950     -1.273686
  H      -7.381194     10.782997     -2.083123
  H      -5.524568     11.172444      1.096293
  H      -4.445001     10.639871      3.278816
  H      -4.884766      3.643506      3.257195
  H      -6.444895      6.989975      0.585515
  H     -13.647253     -1.555957      1.830755
  H     -12.517791     -0.536362      0.882368
  H     -13.607783      0.222810      2.053323
  H     -11.700826      1.571268      1.630805
  H      -9.977834      3.320976      2.071486
  H      -6.583746      1.857794      7.281836
  H     -10.005456     -0.846700      4.775262
  N      -1.988389      1.562974      3.268386
  N      -1.171739      1.448022      2.494904
88
Coordinates from ORCA-job orca E -6723.638382767109
  N      -2.561716     -0.014088      5.496696
  Mo     -3.401302      1.711994      4.704824
  N      -4.751252      1.974478      6.273322
  C      -4.223739      2.800600      7.359368
  C      -2.758746      2.471813      7.591079
  N      -1.981625      2.338554      6.301993
  C      -0.907169      1.305149      6.479663
  C      -1.538966     -0.083661      6.501699
  C      -1.339688      3.624000      5.870075
  C      -2.370733      4.580840      5.302540
  N      -3.300640      3.772199      4.525415
  H      -0.780276     -0.848737      6.272698
  H      -1.972680     -0.326776      7.486545
  H      -0.239056      1.385023      5.613251
  H      -0.329566      1.516052      7.393624
  H      -2.911236      5.134426      6.087051
  H      -1.887911      5.337444      4.665091
  H      -0.785236      4.062756      6.715413
  H      -0.623411      3.355035      5.083572
  H      -4.775322      2.634272      8.300484
  H      -4.349382      3.865404      7.100313
  H      -2.695883      1.503257      8.101866
  H      -2.269104      3.225182      8.227533
  C      -5.878263      3.921593     -0.581699
  C      -5.194361      3.023752      0.417131
  O      -4.045619      3.244647      0.795555
  C      -5.935774      1.830140      0.934654
  C      -7.206311      1.451825      0.470987
  C      -7.814588      0.294954      0.947669
  C      -7.160849     -0.483754      1.897791
  F      -7.783775     -1.591117      2.335455
  C      -5.905606     -0.125074      2.418205
  C      -5.184412     -0.960249      3.423216
  O      -5.380039     -2.164716      3.578335
  N      -4.215556     -0.265945      4.136410
  C      -3.374548     -0.903245      4.969107
  C      -5.319318      1.033007      1.904678
  C      -6.761573     10.789917     -1.140100
  C      -6.669858      9.362059     -0.647490
  O      -7.088866      8.432883     -1.333022
  C      -6.049595      9.111344      0.689142
  C      -5.515087     10.142524      1.481516
  C      -4.948373      9.853324      2.717757
  C      -4.902841      8.531817      3.158102
  F      -4.369417      8.316078      4.379242
  C      -5.419730      7.469282      2.399654
  C      -5.414860      6.018534      2.793180
  O      -6.297789      5.275923      2.343354
  N      -4.352291      5.641092      3.600003
  C      -4.231975      4.335345      3.766250
  C      -6.000976      7.798789      1.170936
  C     -12.959283     -0.601893      1.792577
  C     -11.934639     -0.806048      2.888780
  O     -11.920047     -1.841353      3.548483
  C     -10.932997      0.276087      3.133313
  C     -10.919115      1.470297      2.390746
  C      -9.965125      2.449036      2.645981
  C      -9.014036      2.221686      3.637339
  F      -8.113589      3.198107      3.864985
  C      -8.989474      1.046284      4.403932
  C      -8.008214      0.796117      5.516995
  O      -8.370324      0.179919      6.525812
  N      -6.732060      1.262107      5.283881
  C      -6.054821      1.679773      6.326148
  C      -9.975485      0.093831      4.139239
  H      -6.802633      4.334192     -0.152489
  H      -5.204766      4.743735     -0.845316
  H      -6.146688      3.361325     -1.490666
  H      -7.728243      2.060526     -0.267664
  H      -8.805324     -0.009009      0.610912
  H      -3.381314     -1.982522      5.169033
  H      -4.310356      1.317623      2.223449
  H      -7.326933     11.414841     -0.432815
  H      -5.758571     11.233634     -1.233281
  H      -7.256340     10.800868     -2.117009
  H      -5.541508     11.177450      1.140166
  H      -4.541795     10.636379      3.358682
  H      -4.928721      3.639257      3.261829
  H      -6.427753      6.994533      0.570209
  H     -13.604391     -1.484717      1.737595
  H     -12.468165     -0.444700      0.820116
  H     -13.572900      0.289739      1.993130
  H     -11.657661      1.644817      1.607975
  H      -9.935409      3.385182      2.088276
  H      -6.570795      1.847860      7.289444
  H      -9.992431     -0.823860      4.728032
  N      -2.000276      1.571177      3.252185
  N      -1.191261      1.467592      2.469291
88
Coordinates from ORCA-job orca E -6723.638497412101
  N      -2.550003     -0.014572      5.503261
  Mo     -3.405123      1.703961      4.707250
  N      -4.741447      1.977478      6.284123
  C      -4.207031      2.806251      7.364784
  C      -2.739207      2.481616      7.583054
  N      -1.974079      2.345288      6.286849
  C      -0.892555      1.318876      6.461285
  C      -1.516853     -0.073055      6.498283
  C      -1.343007      3.631329      5.841113
  C      -2.383001      4.579678      5.276597
  N      -3.316246      3.764689      4.508650
  H      -0.756264     -0.835291      6.265840
  H      -1.939089     -0.312868      7.488960
  H      -0.232326      1.396453      5.588626
  H      -0.307934      1.539022      7.368606
  H      -2.920532      5.134501      6.062177
  H      -1.907949      5.335829      4.632781
  H      -0.783692      4.078623      6.678798
  H      -0.631699      3.361149      5.050497
  H      -4.749623      2.638940      8.310968
  H      -4.338190      3.870480      7.106224
  H      -2.669045      1.514777      8.096244
  H      -2.244967      3.238152      8.212111
  C      -5.948039      3.862423     -0.572486
  C      -5.245526      2.972978      0.420993
  O      -4.094802      3.205380      0.786445
  C      -5.972569      1.775942      0.951572
  C      -7.241465      1.381691      0.496207
  C      -7.838143      0.224288      0.985819
  C      -7.174447     -0.538863      1.941223
  F      -7.787625     -1.645086      2.394600
  C      -5.920080     -0.164480      2.453311
  C      -5.191557     -0.984065      3.465586
  O      -5.377130     -2.189046      3.630140
  N      -4.219943     -0.280537      4.166072
  C      -3.368031     -0.909560      4.994540
  C      -5.345306      0.993428      1.926716
  C      -6.725197     10.824787     -1.123836
  C      -6.642673      9.391542     -0.645308
  O      -7.058945      8.470964     -1.344066
  C      -6.043666      9.125824      0.698010
  C      -5.521946     10.148730      1.509376
  C      -4.972109      9.847264      2.750386
  C      -4.930720      8.520924      3.175700
  F      -4.411350      8.288536      4.400111
  C      -5.436447      7.466834      2.399018
  C      -5.433791      6.013041      2.782056
  O      -6.324012      5.276565      2.336900
  N      -4.371320      5.632833      3.587992
  C      -4.253838      4.326895      3.756078
  C      -6.001554      7.807692      1.166120
  C     -12.898465     -0.579914      1.723030
  C     -11.876004     -0.790275      2.820182
  O     -11.856511     -1.833444      3.467180
  C     -10.896562      0.304441      3.096198
  C     -10.895200      1.512200      2.375889
  C      -9.961553      2.502693      2.659955
  C      -9.017912      2.273734      3.657842
  F      -8.139039      3.262065      3.916434
  C      -8.981416      1.084942      4.402820
  C      -8.007615      0.832181      5.521497
  O      -8.370643      0.196779      6.518071
  N      -6.728353      1.290940      5.292561
  C      -6.048238      1.698056      6.336793
  C      -9.947733      0.120575      4.110321
  H      -6.864545      4.278567     -0.129882
  H      -5.280510      4.683259     -0.854946
  H      -6.233172      3.294750     -1.471456
  H      -7.771734      1.979484     -0.245323
  H      -8.827841     -0.090614      0.656247
  H      -3.370524     -1.987068      5.203665
  H      -4.338388      1.291244      2.240524
  H      -7.304746     11.441729     -0.420719
  H      -5.720750     11.269672     -1.192143
  H      -7.201138     10.846507     -2.109855
  H      -5.544720     11.187207      1.178713
  H      -4.575686     10.623845      3.405266
  H      -4.955500      3.632073      3.257680
  H      -6.420079      7.010039      0.551088
  H     -13.530249     -1.471080      1.648022
  H     -12.405342     -0.396659      0.756266
  H     -13.526220      0.298496      1.937567
  H     -11.627990      1.688141      1.588023
  H      -9.942631      3.449806      2.120512
  H      -6.562825      1.870395      7.300192
  H      -9.955674     -0.808197      4.681973
  N      -2.017298      1.559290      3.241556
  N      -1.215430      1.455731      2.451332
88
Coordinates from ORCA-job orca E -6723.638563405122
  N      -2.524129     -0.014468      5.512991
  Mo     -3.394167      1.694164      4.709505
  N      -4.729682      1.970827      6.285690
  C      -4.198724      2.803533      7.365254
  C      -2.728570      2.487952      7.580855
  N      -1.965367      2.353005      6.283132
  C      -0.874960      1.336682      6.460024
  C      -1.487952     -0.060006      6.505588
  C      -1.345952      3.642369      5.830739
  C      -2.394153      4.579620      5.263736
  N      -3.321408      3.755522      4.497705
  H      -0.721787     -0.817066      6.274473
  H      -1.905348     -0.298596      7.498604
  H      -0.217311      1.415384      5.585525
  H      -0.290101      1.566359      7.364863
  H      -2.936032      5.132786      6.047438
  H      -1.925109      5.337744      4.617741
  H      -0.789348      4.098432      6.665557
  H      -0.633221      3.374912      5.040452
  H      -4.738639      2.633232      8.312401
  H      -4.336781      3.866813      7.106646
  H      -2.651423      1.522713      8.096052
  H      -2.237241      3.248785      8.207002
  C      -6.006519      3.804833     -0.563921
  C      -5.280903      2.923800      0.420922
  O      -4.131059      3.173255      0.777333
  C      -5.989207      1.720244      0.962033
  C      -7.253646      1.305809      0.512405
  C      -7.834880      0.145153      1.012792
  C      -7.160774     -0.599497      1.975403
  F      -7.761346     -1.706510      2.443192
  C      -5.907844     -0.207286      2.478299
  C      -5.164883     -1.014558      3.489610
  O      -5.345132     -2.218294      3.668318
  N      -4.198135     -0.298640      4.184560
  C      -3.339057     -0.917443      5.014057
  C      -5.348755      0.953241      1.940812
  C      -6.722872     10.837930     -1.109853
  C      -6.634486      9.400360     -0.645421
  O      -7.029264      8.483644     -1.361366
  C      -6.055460      9.125325      0.704823
  C      -5.563322     10.144913      1.538339
  C      -5.032083      9.835934      2.785618
  C      -4.978895      8.504994      3.194609
  F      -4.481147      8.264939      4.426566
  C      -5.455662      7.453561      2.395597
  C      -5.441334      5.994925      2.763009
  O      -6.319279      5.253510      2.302214
  N      -4.383402      5.618006      3.575893
  C      -4.261314      4.312706      3.743479
  C      -6.003470      7.801869      1.157094
  C     -12.893143     -0.485413      1.681461
  C     -11.872170     -0.720440      2.775044
  O     -11.861305     -1.773191      3.406610
  C     -10.882743      0.361301      3.065923
  C     -10.870216      1.578942      2.362716
  C      -9.928436      2.557425      2.661530
  C      -8.987622      2.306337      3.656393
  F      -8.102705      3.284620      3.933207
  C      -8.962399      1.107182      4.384678
  C      -7.993309      0.833664      5.502508
  O      -8.367067      0.203667      6.498774
  N      -6.711548      1.289725      5.282903
  C      -6.037387      1.695425      6.331834
  C      -9.936740      0.155109      4.078719
  H      -6.921020      4.211432     -0.107939
  H      -5.352046      4.632581     -0.856720
  H      -6.299656      3.233859     -1.458226
  H      -7.792329      1.889997     -0.233763
  H      -8.819741     -0.186716      0.685613
  H      -3.335019     -1.993507      5.230115
  H      -4.343827      1.265299      2.247056
  H      -7.325213     11.439814     -0.412705
  H      -5.722507     11.295250     -1.150458
  H      -7.177343     10.865549     -2.105759
  H      -5.595694     11.187112      1.220459
  H      -4.659959     10.609996      3.457404
  H      -4.959096      3.615618      3.243849
  H      -6.399288      7.006859      0.524124
  H     -13.531642     -1.370664      1.592974
  H     -12.398993     -0.290589      0.717482
  H     -13.514304      0.394041      1.909909
  H     -11.601428      1.772535      1.577575
  H      -9.903518      3.513739      2.138531
  H      -6.557462      1.871270      7.291615
  H      -9.954464     -0.780759      4.638576
  N      -2.009002      1.552590      3.240521
  N      -1.208453      1.452733      2.448507
88
Coordinates from ORCA-job orca E -6723.638510481155
  N      -2.534356     -0.004640      5.513904
  Mo     -3.404790      1.703422      4.707040
  N      -4.741166      1.985203      6.282110
  C      -4.211696      2.817703      7.362701
  C      -2.741874      2.500704      7.578675
  N      -1.978211      2.364225      6.281248
  C      -0.887305      1.349177      6.460744
  C      -1.499867     -0.047695      6.508301
  C      -1.359906      3.654004      5.828717
  C      -2.408250      4.589278      5.259869
  N      -3.333239      3.764779      4.492194
  H      -0.732695     -0.804486      6.279548
  H      -1.918176     -0.284851      7.501247
  H      -0.228877      1.426986      5.586774
  H      -0.303387      1.580970      7.365691
  H      -2.952182      5.142844      6.041815
  H      -1.937423      5.347353      4.614816
  H      -0.805719      4.112464      6.663909
  H      -0.644991      3.387652      5.040020
  H      -4.751799      2.645837      8.309375
  H      -4.349654      3.881172      7.105464
  H      -2.665791      1.535700      8.094429
  H      -2.249527      3.261244      8.204361
  C      -6.004314      3.779654     -0.600737
  C      -5.275662      2.913042      0.395140
  O      -4.140159      3.189728      0.775630
  C      -5.968614      1.693906      0.919806
  C      -7.211807      1.252967      0.437510
  C      -7.786468      0.086047      0.930233
  C      -7.128094     -0.635750      1.920667
  F      -7.727902     -1.742784      2.388578
  C      -5.892328     -0.221635      2.449267
  C      -5.162217     -1.014690      3.480000
  O      -5.335985     -2.218869      3.662270
  N      -4.206054     -0.290731      4.182017
  C      -3.349223     -0.907752      5.016132
  C      -5.338358      0.944162      1.918072
  C      -6.672212     10.910528     -1.076444
  C      -6.601095      9.468221     -0.623795
  O      -7.009885      8.562776     -1.346068
  C      -6.024591      9.174196      0.723572
  C      -5.523513     10.180697      1.567206
  C      -4.995590      9.855116      2.811682
  C      -4.953962      8.519761      3.207156
  F      -4.460795      8.264779      4.437934
  C      -5.440763      7.479876      2.397543
  C      -5.440484      6.016257      2.752412
  O      -6.325458      5.286207      2.288689
  N      -4.390915      5.625954      3.569158
  C      -4.273038      4.320674      3.737052
  C      -5.985408      7.845735      1.162861
  C     -12.954863     -0.536132      1.775978
  C     -11.930634     -0.746094      2.871711
  O     -11.940423     -1.769078      3.550713
  C     -10.915377      0.324545      3.108402
  C     -10.877164      1.507786      2.349393
  C      -9.912694      2.477381      2.601139
  C      -8.975826      2.252131      3.605623
  F      -8.070852      3.223224      3.839113
  C      -8.974124      1.087076      4.386472
  C      -8.006210      0.843732      5.511593
  O      -8.381680      0.242749      6.525482
  N      -6.723636      1.293659      5.282685
  C      -6.049295      1.710813      6.327323
  C      -9.970161      0.143399      4.127073
  H      -6.932879      4.167798     -0.156867
  H      -5.363055      4.620226     -0.886168
  H      -6.277620      3.203340     -1.497842
  H      -7.739139      1.821453     -0.328415
  H      -8.753990     -0.268126      0.576192
  H      -3.346266     -1.983629      5.232727
  H      -4.347323      1.277135      2.246287
  H      -7.271155     11.512019     -0.375918
  H      -5.667119     11.357952     -1.108617
  H      -7.122785     10.951557     -2.073591
  H      -5.547421     11.226341      1.259969
  H      -4.617760     10.619730      3.490957
  H      -4.970183      3.622184      3.237450
  H      -6.388234      7.061908      0.521204
  H     -13.615062     -1.408815      1.733029
  H     -12.463996     -0.397775      0.800582
  H     -13.552927      0.367627      1.967806
  H     -11.606750      1.681452      1.558127
  H      -9.870157      3.409983      2.037614
  H      -6.570185      1.895452      7.284973
  H     -10.006949     -0.764481      4.730404
  N      -2.020379      1.565073      3.236662
  N      -1.220287      1.469108      2.443670
88
Coordinates from ORCA-job orca E -6723.638622818217
  N      -2.527807     -0.009770      5.519083
  Mo     -3.402243      1.695812      4.711505
  N      -4.729130      1.984964      6.292440
  C      -4.192699      2.819031      7.368213
  C      -2.721835      2.501544      7.576412
  N      -1.965705      2.361153      6.274872
  C      -0.873994      1.346101      6.450884
  C      -1.486539     -0.050417      6.506476
  C      -1.349379      3.649041      5.814486
  C      -2.400477      4.583102      5.248227
  N      -3.330062      3.756474      4.488054
  H      -0.721297     -0.808254      6.274759
  H      -1.898266     -0.284593      7.502829
  H      -0.221027      1.420923      5.572540
  H      -0.284272      1.580336      7.351434
  H      -2.939891      5.139340      6.031437
  H      -1.933325      5.339074      4.598199
  H      -0.789897      4.109676      6.644918
  H      -0.639350      3.379226      5.022558
  H      -4.727890      2.649959      8.318219
  H      -4.330888      3.882165      7.109248
  H      -2.643467      1.537819      8.094074
  H      -2.225347      3.263305      8.197327
  C      -6.040420      3.746048     -0.589656
  C      -5.311195      2.886726      0.411473
  O      -4.167458      3.154994      0.773711
  C      -6.005948      1.675851      0.953251
  C      -7.257695      1.238188      0.490115
  C      -7.829571      0.075030      0.994936
  C      -7.159032     -0.647393      1.976762
  F      -7.753575     -1.753875      2.452890
  C      -5.916220     -0.234398      2.488923
  C      -5.174883     -1.025092      3.513419
  O      -5.345646     -2.229207      3.699618
  N      -4.210341     -0.299541      4.201852
  C      -3.347017     -0.914048      5.030594
  C      -5.365962      0.928010      1.946740
  C      -6.703783     10.889369     -1.073218
  C      -6.625872      9.447687     -0.619293
  O      -7.028398      8.539388     -1.341669
  C      -6.047247      9.157518      0.727955
  C      -5.551467     10.166844      1.571268
  C      -5.023205      9.844037      2.816334
  C      -4.976052      8.509117      3.212854
  F      -4.482723      8.256808      4.444114
  C      -5.455415      7.466759      2.402759
  C      -5.447616      6.003954      2.757220
  O      -6.327634      5.269760      2.290221
  N      -4.391962      5.617233      3.567957
  C      -4.272644      4.311960      3.735763
  C      -6.000885      7.829517      1.167642
  C     -12.884224     -0.487812      1.682524
  C     -11.874749     -0.709424      2.789560
  O     -11.879413     -1.748947      3.442784
  C     -10.874652      0.366625      3.063501
  C     -10.840498      1.566865      2.331423
  C      -9.889679      2.540899      2.615941
  C      -8.961829      2.302564      3.626043
  F      -8.068233      3.276497      3.889230
  C      -8.956909      1.120118      4.381325
  C      -7.997677      0.860598      5.510475
  O      -8.380208      0.245923      6.513083
  N      -6.712156      1.306748      5.291831
  C      -6.038094      1.716258      6.339569
  C      -9.939947      0.172680      4.089252
  H      -6.962117      4.147145     -0.143418
  H      -5.394706      4.577823     -0.889995
  H      -6.324185      3.160706     -1.477621
  H      -7.793352      1.805594     -0.270946
  H      -8.803355     -0.276907      0.655726
  H      -3.343946     -1.989007      5.251797
  H      -4.369755      1.258952      2.261454
  H      -7.305554     11.488688     -0.373271
  H      -5.700888     11.341786     -1.106320
  H      -7.154843     10.927203     -2.070280
  H      -5.580165     11.212239      1.263636
  H      -4.649604     10.610609      3.495765
  H      -4.972631      3.613545      3.240630
  H      -6.399775      7.043216      0.526180
  H     -13.531989     -1.367691      1.608994
  H     -12.380166     -0.320669      0.718448
  H     -13.497073      0.403534      1.885553
  H     -11.562143      1.750122      1.535082
  H      -9.849319      3.485266      2.072413
  H      -6.558607      1.901405      7.297262
  H      -9.973389     -0.749487      4.670675
  N      -2.027386      1.549492      3.233024
  N      -1.232459      1.449406      2.435371
88
Coordinates from ORCA-job orca E -6723.638635439391
  N      -2.531386     -0.009756      5.522120
  Mo     -3.403241      1.695305      4.710903
  N      -4.729497      1.991354      6.291236
  C      -4.191782      2.825535      7.365958
  C      -2.721608      2.505396      7.574592
  N      -1.965643      2.361721      6.273310
  C      -0.875375      1.345429      6.451008
  C      -1.489893     -0.050047      6.509261
  C      -1.347456      3.648056      5.811365
  C      -2.397296      4.582408      5.243096
  N      -3.326552      3.755413      4.483198
  H      -0.725846     -0.809477      6.278751
  H      -1.901628     -0.281796      7.506174
  H      -0.222595      1.417808      5.572304
  H      -0.285054      1.580420      7.350939
  H      -2.936825      5.140407      6.024984
  H      -1.928830      5.336993      4.592456
  H      -0.787871      4.109264      6.641394
  H      -0.637363      3.376173      5.020199
  H      -4.727401      2.658441      8.316070
  H      -4.327897      3.888645      7.105814
  H      -2.645146      1.542260      8.093591
  H      -2.223632      3.267034      8.194446
  C      -6.033952      3.742370     -0.586309
  C      -5.299328      2.866864      0.396439
  O      -4.150041      3.123739      0.748562
  C      -6.001822      1.664085      0.946560
  C      -7.259832      1.234761      0.492362
  C      -7.838025      0.078153      1.005381
  C      -7.167767     -0.645129      1.986947
  F      -7.769130     -1.743876      2.472036
  C      -5.919742     -0.238714      2.491740
  C      -5.179716     -1.027470      3.518637
  O      -5.353843     -2.230255      3.710687
  N      -4.214806     -0.300036      4.205288
  C      -3.352182     -0.913700      5.035789
  C      -5.362974      0.916206      1.940570
  C      -6.704481     10.902309     -1.064766
  C      -6.618343      9.458116     -0.620635
  O      -7.010967      8.552188     -1.351370
  C      -6.045629      9.162749      0.728045
  C      -5.562490     10.169681      1.581624
  C      -5.039872      9.841562      2.827779
  C      -4.986638      8.504263      3.215767
  F      -4.498317      8.246977      4.448077
  C      -5.453197      7.464287      2.395305
  C      -5.437579      5.999258      2.739355
  O      -6.306491      5.261426      2.257263
  N      -4.386637      5.614910      3.557397
  C      -4.266765      4.310125      3.726778
  C      -5.992127      7.832015      1.158739
  C     -12.879715     -0.493623      1.681546
  C     -11.867630     -0.714614      2.786321
  O     -11.867835     -1.755751      3.437087
  C     -10.871963      0.364995      3.062576
  C     -10.842532      1.566700      2.332695
  C      -9.895231      2.543670      2.618710
  C      -8.966521      2.307170      3.628453
  F      -8.076481      3.284196      3.892476
  C      -8.957186      1.123360      4.381871
  C      -7.997357      0.865561      5.511085
  O      -8.378743      0.251091      6.514154
  N      -6.712470      1.312563      5.291781
  C      -6.038582      1.723831      6.338875
  C      -9.936548      0.172641      4.088016
  H      -6.945361      4.147579     -0.123104
  H      -5.384870      4.571015     -0.887881
  H      -6.336037      3.168324     -1.475396
  H      -7.795075      1.802831     -0.268524
  H      -8.816438     -0.267835      0.673494
  H      -3.351465     -1.988314      5.259266
  H      -4.362885      1.241632      2.248810
  H      -7.314701     11.491829     -0.363941
  H      -5.705093     11.362664     -1.089062
  H      -7.150401     10.943842     -2.064022
  H      -5.596120     11.217030      1.281028
  H      -4.675355     10.605902      3.514753
  H      -4.964081      3.610694      3.229501
  H      -6.380398      7.047278      0.508570
  H     -13.524742     -1.375252      1.607125
  H     -12.377725     -0.322795      0.717038
  H     -13.495116      0.395474      1.887578
  H     -11.564623      1.748312      1.536196
  H      -9.857430      3.488719      2.076093
  H      -6.559077      1.910382      7.296269
  H      -9.966243     -0.750580      4.667710
  N      -2.029914      1.543786      3.231647
  N      -1.235881      1.441659      2.433418
88
Coordinates from ORCA-job orca E -6723.638657008709
  N      -2.527430     -0.008747      5.527923
  Mo     -3.401772      1.692971      4.711829
  N      -4.726149      1.996350      6.292233
  C      -4.187312      2.831749      7.365364
  C      -2.716920      2.511680      7.572510
  N      -1.962674      2.365431      6.270451
  C      -0.871088      1.350838      6.449655
  C      -1.484175     -0.045014      6.513346
  C      -1.346399      3.651166      5.804403
  C      -2.397674      4.582551      5.234021
  N      -3.325785      3.752479      4.476138
  H      -0.719814     -0.804409      6.283770
  H      -1.893774     -0.274171      7.511725
  H      -0.219829      1.421220      5.569642
  H      -0.279495      1.589264      7.347864
  H      -2.937838      5.142009      6.014421
  H      -1.930149      5.336144      4.581537
  H      -0.786849      4.115602      6.632675
  H      -0.636419      3.377898      5.013590
  H      -4.721869      2.665621      8.316236
  H      -4.323588      3.894620      7.104335
  H      -2.639967      1.549475      8.093135
  H      -2.217824      3.274325      8.190230
  C      -6.044210      3.707142     -0.597394
  C      -5.308299      2.841290      0.392801
  O      -4.159161      3.102367      0.742593
  C      -6.006259      1.637458      0.946538
  C      -7.260545      1.199404      0.490582
  C      -7.834857      0.043088      1.008504
  C      -7.164355     -0.671000      1.996646
  F      -7.762336     -1.769490      2.486629
  C      -5.919117     -0.256620      2.501827
  C      -5.177092     -1.037917      3.532729
  O      -5.348944     -2.239926      3.731817
  N      -4.213641     -0.304748      4.215416
  C      -3.349153     -0.914531      5.046906
  C      -5.366285      0.897950      1.945967
  C      -6.707766     10.921847     -1.043320
  C      -6.616826      9.474531     -0.610256
  O      -7.000684      8.572537     -1.350462
  C      -6.050229      9.171170      0.739212
  C      -5.578999     10.173629      1.604497
  C      -5.062343      9.837872      2.851080
  C      -5.003179      8.497667      3.227930
  F      -4.521888      8.233226      4.461478
  C      -5.457926      7.461904      2.395614
  C      -5.435804      5.994098      2.727547
  O      -6.298015      5.255500      2.235076
  N      -4.387044      5.609422      3.548126
  C      -4.265764      4.304818      3.717511
  C      -5.990927      7.837130      1.158793
  C     -12.882849     -0.470019      1.679393
  C     -11.872482     -0.691113      2.785757
  O     -11.881025     -1.727494      3.443974
  C     -10.868988      0.382918      3.055119
  C     -10.829030      1.578332      2.315534
  C      -9.874479      2.550142      2.594993
  C      -8.949565      2.314822      3.608567
  F      -8.053002      3.287286      3.866668
  C      -8.950895      1.137229      4.371860
  C      -7.996406      0.881780      5.506128
  O      -8.383789      0.273059      6.510397
  N      -6.708826      1.322566      5.289554
  C      -6.036202      1.733406      6.337748
  C      -9.936859      0.191670      4.083680
  H      -6.957095      4.112863     -0.137298
  H      -5.397444      4.535519     -0.904480
  H      -6.344591      3.126005     -1.482533
  H      -7.796092      1.760430     -0.275306
  H      -8.810391     -0.309907      0.675600
  H      -3.348621     -1.988281      5.274316
  H      -4.368840      1.230444      2.254705
  H      -7.326897     11.501853     -0.342253
  H      -5.711034     11.388474     -1.056244
  H      -7.146598     10.968901     -2.045445
  H      -5.617303     11.223323      1.312813
  H      -4.707125     10.598525      3.546911
  H      -4.961235      3.603556      3.220238
  H      -6.369545      7.055858      0.498852
  H     -13.535253     -1.346824      1.611637
  H     -12.379603     -0.310760      0.713552
  H     -13.490595      0.425754      1.878688
  H     -11.548279      1.758826      1.516313
  H      -9.828153      3.490339      2.044761
  H      -6.558525      1.924406      7.293249
  H      -9.974787     -0.726425      4.671117
  N      -2.031817      1.538016      3.229734
  N      -1.239673      1.435465      2.429710
88
Coordinates from ORCA-job orca E -6723.638674781530
  N      -2.524138     -0.006595      5.540459
  Mo     -3.401382      1.689389      4.714843
  N      -4.719323      2.011502      6.296509
  C      -4.175648      2.848181      7.365937
  C      -2.705148      2.525434      7.568275
  N      -1.956100      2.372333      6.263807
  C      -0.863411      1.359197      6.444931
  C      -1.475785     -0.036359      6.520656
  C      -1.341870      3.655564      5.788415
  C      -2.394933      4.582421      5.214057
  N      -3.322464      3.747082      4.461322
  H      -0.712435     -0.796999      6.291829
  H      -1.879823     -0.259529      7.522630
  H      -0.216199      1.424202      5.561484
  H      -0.267678      1.603675      7.338816
  H      -2.934998      5.145915      5.991613
  H      -1.928696      5.333005      4.557182
  H      -0.780885      4.125849      6.612440
  H      -0.633282      3.377896      4.997841
  H      -4.707307      2.684819      8.318915
  H      -4.310657      3.910886      7.103528
  H      -2.628509      1.564969      8.092097
  H      -2.201623      3.289125      8.181103
  C      -6.056256      3.626609     -0.630416
  C      -5.319956      2.777928      0.373687
  O      -4.174263      3.050545      0.726772
  C      -6.014853      1.578496      0.941366
  C      -7.264008      1.126572      0.485132
  C      -7.835226     -0.024073      1.018509
  C      -7.166523     -0.718463      2.021791
  F      -7.762413     -1.811210      2.527207
  C      -5.925088     -0.291089      2.525414
  C      -5.182047     -1.055457      3.567888
  O      -5.349538     -2.255578      3.781846
  N      -4.218850     -0.311764      4.239730
  C      -3.350264     -0.914656      5.072025
  C      -5.375671      0.858008      1.954942
  C      -6.720691     10.964201     -0.993558
  C      -6.617063      9.510389     -0.585223
  O      -6.983338      8.617297     -1.344935
  C      -6.061607      9.189719      0.764811
  C      -5.614576     10.182061      1.654087
  C      -5.108797      9.829801      2.900484
  C      -5.036072      8.483809      3.253367
  F      -4.567774      8.203417      4.488386
  C      -5.466568      7.457701      2.396752
  C      -5.430002      5.984582      2.703164
  O      -6.278006      5.244676      2.189058
  N      -4.385268      5.599370      3.528593
  C      -4.261733      4.295034      3.698521
  C      -5.989141      7.849048      1.160568
  C     -12.879631     -0.427886      1.669653
  C     -11.875357     -0.645715      2.782217
  O     -11.897489     -1.673409      3.453527
  C     -10.858907      0.419044      3.039222
  C     -10.799225      1.601309      2.280036
  C      -9.832575      2.564421      2.547714
  C      -8.916054      2.333687      3.570248
  F      -8.008095      3.298235      3.816475
  C      -8.937393      1.169204      4.353399
  C      -7.993613      0.919211      5.497556
  O      -8.393146      0.323045      6.504593
  N      -6.701373      1.350204      5.287408
  C      -6.031615      1.760093      6.337998
  C      -9.934483      0.232404      4.075353
  H      -6.971794      4.034414     -0.177161
  H      -5.412641      4.453751     -0.947006
  H      -6.352789      3.032493     -1.508207
  H      -7.798342      1.672381     -0.292525
  H      -8.807282     -0.387703      0.686885
  H      -3.352155     -1.986468      5.308049
  H      -4.382145      1.202120      2.262708
  H      -7.357779     11.522820     -0.290914
  H      -5.730429     11.444702     -0.983848
  H      -7.146491     11.023493     -2.000607
  H      -5.663633     11.236433      1.381619
  H      -4.772624     10.582037      3.614585
  H      -4.954146      3.590071      3.202093
  H      -6.348592      7.075624      0.481012
  H     -13.544169     -1.296552      1.613679
  H     -12.371679     -0.291163      0.702814
  H     -13.474825      0.479445      1.852969
  H     -11.512177      1.777906      1.474531
  H      -9.769880      3.494115      1.981843
  H      -6.557248      1.959529      7.289948
  H      -9.987452     -0.675234      4.677977
  N      -2.040957      1.523889      3.224963
  N      -1.254258      1.418927      2.419974
88
Coordinates from ORCA-job orca E -6723.638682058937
  N      -2.524562     -0.005764      5.545793
  Mo     -3.401992      1.687588      4.715263
  N      -4.716837      2.020727      6.297142
  C      -4.170385      2.856767      7.365387
  C      -2.700231      2.531333      7.565458
  N      -1.953521      2.375000      6.260023
  C      -0.860851      1.362000      6.441902
  C      -1.473422     -0.033129      6.523085
  C      -1.339530      3.656861      5.780924
  C      -2.392838      4.581860      5.204094
  N      -3.318990      3.744159      4.452331
  H      -0.710975     -0.794635      6.294104
  H      -1.874533     -0.253592      7.526830
  H      -0.215540      1.424316      5.556862
  H      -0.263052      1.608891      7.333748
  H      -2.933728      5.146794      5.980039
  H      -1.926687      5.331332      4.545957
  H      -0.778263      4.129450      6.603430
  H      -0.631239      3.377061      4.990818
  H      -4.700919      2.694533      8.319198
  H      -4.303970      3.919675      7.103093
  H      -2.624662      1.571345      8.090267
  H      -2.194178      3.294752      8.176526
  C      -6.050001      3.592659     -0.644841
  C      -5.315358      2.746611      0.362503
  O      -4.165893      3.012811      0.707664
  C      -6.013064      1.551462      0.936060
  C      -7.262470      1.098466      0.481612
  C      -7.836295     -0.047204      1.023096
  C      -7.170112     -0.734901      2.032719
  F      -7.769190     -1.821876      2.546862
  C      -5.928381     -0.306174      2.534314
  C      -5.186924     -1.063166      3.583293
  O      -5.355943     -2.261401      3.806594
  N      -4.223575     -0.314809      4.250508
  C      -3.353557     -0.914505      5.083944
  C      -5.376145      0.837273      1.955363
  C      -6.720968     10.987994     -0.970921
  C      -6.607941      9.530553     -0.578433
  O      -6.954347      8.643067     -1.353795
  C      -6.064446      9.199396      0.773972
  C      -5.639567     10.185726      1.680804
  C      -5.144924      9.823646      2.928872
  C      -5.061145      8.474290      3.266167
  F      -4.604657      8.183952      4.503409
  C      -5.469376      7.454004      2.391896
  C      -5.420586      5.977790      2.681455
  O      -6.254012      5.235139      2.147804
  N      -4.381337      5.594224      3.514799
  C      -4.256020      4.290066      3.685010
  C      -5.981022      7.854796      1.154064
  C     -12.879293     -0.417665      1.671269
  C     -11.873942     -0.633034      2.783311
  O     -11.895320     -1.659296      3.456860
  C     -10.856769      0.432002      3.036499
  C     -10.795677      1.611029      2.272425
  C      -9.828162      2.574221      2.536488
  C      -8.912033      2.346833      3.560175
  F      -8.003640      3.311957      3.802329
  C      -8.934801      1.185675      4.348270
  C      -7.992721      0.938791      5.494512
  O      -8.394138      0.345555      6.502554
  N      -6.699584      1.367401      5.285324
  C      -6.030286      1.775804      6.336851
  C      -9.932939      0.248822      4.073700
  H      -6.961787      4.007903     -0.190762
  H      -5.403257      4.414699     -0.968327
  H      -6.352565      2.994819     -1.518051
  H      -7.795117      1.639371     -0.300650
  H      -8.808866     -0.411631      0.693855
  H      -3.357761     -1.985371      5.324573
  H      -4.383118      1.183260      2.261958
  H      -7.374105     11.531082     -0.270930
  H      -5.736398     11.479022     -0.941267
  H      -7.133206     11.054935     -1.983155
  H      -5.697501     11.242817      1.420893
  H      -4.826040     10.570686      3.656304
  H      -4.944678      3.583304      3.185960
  H      -6.322813      7.085794      0.460376
  H     -13.545429     -1.285285      1.619533
  H     -12.372254     -0.285873      0.703242
  H     -13.472503      0.491631      1.851629
  H     -11.508517      1.785131      1.466177
  H      -9.764249      3.501746      1.966985
  H      -6.556784      1.978237      7.287672
  H      -9.986842     -0.656139      4.680107
  N      -2.046431      1.515421      3.221618
  N      -1.262643      1.408954      2.414055
88
Coordinates from ORCA-job orca E -6723.638689318377
  N      -2.521482     -0.006589      5.549507
  Mo     -3.401401      1.684031      4.716679
  N      -4.713776      2.021870      6.299455
  C      -4.165735      2.858130      7.366638
  C      -2.695271      2.532904      7.564312
  N      -1.950645      2.375810      6.257840
  C      -0.856705      1.364133      6.439247
  C      -1.467648     -0.031469      6.523999
  C      -1.338574      3.657501      5.776047
  C      -2.393351      4.580090      5.198175
  N      -3.318092      3.739805      4.447451
  H      -0.705074     -0.792533      6.293994
  H      -1.865792     -0.250986      7.529128
  H      -0.213206      1.425647      5.552847
  H      -0.257378      1.613062      7.329495
  H      -2.935093      5.145042      5.973524
  H      -1.928662      5.329478      4.538986
  H      -0.777190      4.132088      6.597299
  H      -0.630646      3.377126      4.985814
  H      -4.694744      2.696146      8.321359
  H      -4.299907      3.920980      7.104439
  H      -2.618787      1.573212      8.089511
  H      -2.188363      3.296721      8.174168
  C      -6.043334      3.572024     -0.648565
  C      -5.308671      2.724527      0.357517
  O      -4.157635      2.987169      0.699485
  C      -6.010279      1.534739      0.937381
  C      -7.262482      1.084763      0.487713
  C      -7.838946     -0.057005      1.034720
  C      -7.172871     -0.743338      2.045408
  F      -7.773962     -1.826905      2.564434
  C      -5.929166     -0.316359      2.543495
  C      -5.187786     -1.070386      3.594819
  O      -5.359253     -2.267116      3.824072
  N      -4.223553     -0.319949      4.258862
  C      -3.351632     -0.916824      5.092509
  C      -5.374133      0.822651      1.958582
  C      -6.736323     10.993163     -0.956826
  C      -6.614990      9.534191     -0.572795
  O      -6.955487      8.649356     -1.353699
  C      -6.074526      9.198452      0.779746
  C      -5.657993     10.182188      1.693446
  C      -5.165923      9.816015      2.941348
  C      -5.076380      8.465289      3.271657
  F      -4.622562      8.170376      4.508880
  C      -5.475994      7.447525      2.390433
  C      -5.420784      5.970063      2.672908
  O      -6.247739      5.225830      2.131266
  N      -4.382694      5.587827      3.508591
  C      -4.255066      4.283674      3.678595
  C      -5.985364      7.852252      1.152824
  C     -12.875661     -0.395674      1.661841
  C     -11.872833     -0.612062      2.775916
  O     -11.900915     -1.635190      3.454039
  C     -10.852253      0.450020      3.028130
  C     -10.783860      1.625705      2.259545
  C      -9.812961      2.585678      2.522656
  C      -8.900695      2.358520      3.549828
  F      -7.988419      3.320518      3.790297
  C      -8.930611      1.200732      4.342296
  C      -7.992386      0.953260      5.491480
  O      -8.398494      0.363713      6.499842
  N      -6.697125      1.376332      5.284705
  C      -6.028044      1.781481      6.337726
  C      -9.932139      0.267072      4.068627
  H      -6.952058      3.991400     -0.192330
  H      -5.394479      4.391263     -0.975055
  H      -6.350387      2.973928     -1.519996
  H      -7.794956      1.624461     -0.295521
  H      -8.813577     -0.419172      0.709113
  H      -3.355737     -1.987068      5.336268
  H      -4.379677      1.166856      2.262286
  H      -7.394721     11.527866     -0.255433
  H      -5.755101     11.490270     -0.921717
  H      -7.146382     11.063623     -1.969739
  H      -5.720633     11.240365      1.439071
  H      -4.853554     10.560716      3.674065
  H      -4.941892      3.575735      3.178828
  H      -6.320778      7.085108      0.453985
  H     -13.546661     -1.259588      1.613066
  H     -12.366582     -0.271160      0.693904
  H     -13.463883      0.517909      1.837372
  H     -11.493675      1.799788      1.450519
  H      -9.743370      3.510635      1.949579
  H      -6.555253      1.986095      7.287659
  H      -9.991417     -0.635287      4.678215
  N      -2.048970      1.508411      3.220463
  N      -1.267134      1.401165      2.411179
88
Coordinates from ORCA-job orca E -6723.638695467033
  N      -2.520207     -0.007230      5.550348
  Mo     -3.401239      1.682917      4.718758
  N      -4.710680      2.023056      6.303205
  C      -4.160652      2.856765      7.371345
  C      -2.690042      2.530517      7.565615
  N      -1.947682      2.375078      6.257737
  C      -0.853173      1.363498      6.436417
  C      -1.463355     -0.032473      6.521674
  C      -1.336773      3.657355      5.775980
  C      -2.392414      4.579148      5.198450
  N      -3.315589      3.738041      4.446538
  H      -0.701156     -0.792951      6.288556
  H      -1.858294     -0.253233      7.527795
  H      -0.211389      1.425726      5.548844
  H      -0.252173      1.612083      7.325656
  H      -2.935286      5.142529      5.974150
  H      -1.928692      5.329694      4.539949
  H      -0.775347      4.132051      6.597126
  H      -0.629050      3.377734      4.985278
  H      -4.688006      2.692887      8.326690
  H      -4.295122      3.920259      7.111924
  H      -2.613138      1.569877      8.089017
  H      -2.181848      3.293050      8.176024
  C      -6.035347      3.553101     -0.661904
  C      -5.304391      2.709527      0.350241
  O      -4.154775      2.973684      0.695825
  C      -6.010507      1.525654      0.936801
  C      -7.264684      1.077941      0.490405
  C      -7.844136     -0.059708      1.042773
  C      -7.179220     -0.744123      2.055471
  F      -7.782736     -1.824203      2.579080
  C      -5.934026     -0.318777      2.551075
  C      -5.193404     -1.070951      3.604502
  O      -5.366599     -2.266773      3.836765
  N      -4.226195     -0.321089      4.264836
  C      -3.352231     -0.917466      5.096577
  C      -5.376124      0.816193      1.960954
  C      -6.748707     10.991703     -0.950666
  C      -6.620844      9.532125     -0.570847
  O      -6.953940      8.647967     -1.355687
  C      -6.083176      9.194974      0.782471
  C      -5.673761     10.178169      1.700039
  C      -5.183447      9.811040      2.948306
  C      -5.088345      8.459832      3.274934
  F      -4.636216      8.163102      4.512343
  C      -5.480573      7.442629      2.389769
  C      -5.418695      5.964605      2.668425
  O      -6.239779      5.217779      2.121374
  N      -4.382059      5.585066      3.507220
  C      -4.252302      4.280937      3.676916
  C      -5.988892      7.848197      1.151981
  C     -12.866824     -0.380915      1.650842
  C     -11.865841     -0.598814      2.766232
  O     -11.893047     -1.624153      3.441022
  C     -10.847064      0.463964      3.022915
  C     -10.778770      1.641819      2.257499
  C      -9.809235      2.602035      2.524613
  C      -8.897925      2.372970      3.552261
  F      -7.987426      3.335591      3.797166
  C      -8.927560      1.213079      4.341339
  C      -7.989860      0.962100      5.489905
  O      -8.396543      0.369851      6.496564
  N      -6.694512      1.386074      5.285091
  C      -6.025567      1.786485      6.340141
  C      -9.928068      0.279260      4.063999
  H      -6.944894      3.976447     -0.211069
  H      -5.384244      4.369735     -0.990538
  H      -6.339740      2.950469     -1.531118
  H      -7.796147      1.615878     -0.294711
  H      -8.820239     -0.420043      0.719475
  H      -3.356971     -1.987422      5.341573
  H      -4.380556      1.158601      2.262712
  H      -7.412295     11.520903     -0.249937
  H      -5.770185     11.493848     -0.910803
  H      -7.155666     11.063299     -1.964747
  H      -5.740785     11.236711      1.448364
  H      -4.876700     10.555047      3.684062
  H      -4.937503      3.572429      3.175812
  H      -6.319239      7.081162      0.450699
  H     -13.537565     -1.244939      1.599525
  H     -12.355900     -0.255061      0.684032
  H     -13.455452      0.532324      1.826437
  H     -11.487771      1.817619      1.448171
  H      -9.740462      3.528967      1.954651
  H      -6.552946      1.989438      7.290322
  H      -9.987059     -0.624899      4.671006
  N      -2.051615      1.504974      3.219975
  N      -1.271733      1.397471      2.408896
88
Coordinates from ORCA-job orca E -6723.638700654216
  N      -2.516622     -0.007907      5.554286
  Mo     -3.400505      1.679390      4.720674
  N      -4.706400      2.025871      6.306374
  C      -4.154058      2.858334      7.374277
  C      -2.683149      2.531525      7.564755
  N      -1.943835      2.376083      6.255226
  C      -0.847697      1.365988      6.432350
  C      -1.455862     -0.030682      6.521515
  C      -1.335662      3.658678      5.770949
  C      -2.393289      4.577412      5.192312
  N      -3.313616      3.733358      4.440015
  H      -0.693605     -0.790361      6.286011
  H      -1.846380     -0.251050      7.529428
  H      -0.208439      1.427711      5.542935
  H      -0.244503      1.616594      7.319553
  H      -2.938157      5.139799      5.967312
  H      -1.931252      5.328746      4.533577
  H      -0.774531      4.135737      6.590914
  H      -0.627995      3.379127      4.980149
  H      -4.679274      2.693400      8.330639
  H      -4.289107      3.922169      7.116602
  H      -2.605336      1.570717      8.087679
  H      -2.173366      3.293707      8.174301
  C      -6.026469      3.520896     -0.674114
  C      -5.297757      2.681643      0.343390
  O      -4.147517      2.944650      0.687460
  C      -6.007084      1.502968      0.936556
  C      -7.261521      1.054661      0.491534
  C      -7.843638     -0.078406      1.050545
  C      -7.181324     -0.757294      2.068658
  F      -7.787954     -1.832236      2.599323
  C      -5.935810     -0.331202      2.562812
  C      -5.196892     -1.078086      3.621270
  O      -5.371401     -2.272386      3.860111
  N      -4.227577     -0.326138      4.276214
  C      -3.350723     -0.919541      5.107069
  C      -5.375174      0.798873      1.965858
  C      -6.765012     11.000444     -0.932088
  C      -6.627376      9.538909     -0.563332
  O      -6.947474      8.658523     -1.357717
  C      -6.095822      9.195103      0.790763
  C      -5.701489     10.174261      1.719200
  C      -5.216503      9.801319      2.967821
  C      -5.111628      8.448340      3.283890
  F      -4.665854      8.145255      4.522087
  C      -5.488511      7.435010      2.387610
  C      -5.415798      5.955271      2.654979
  O      -6.226115      5.205972      2.095440
  N      -4.382372      5.577944      3.498761
  C      -4.249664      4.273950      3.667907
  C      -5.991935      7.846175      1.149660
  C     -12.864132     -0.351653      1.642694
  C     -11.867065     -0.570042      2.761465
  O     -11.900743     -1.592661      3.440078
  C     -10.843081      0.488313      3.015752
  C     -10.766049      1.662074      2.244841
  C      -9.791520      2.617837      2.509679
  C      -8.884178      2.388559      3.540777
  F      -7.968919      3.347171      3.783682
  C      -8.922257      1.232598      4.335073
  C      -7.988503      0.980815      5.486535
  O      -8.400295      0.393550      6.494119
  N      -6.690865      1.399117      5.284119
  C      -6.022448      1.796047      6.340992
  C      -9.927503      0.303196      4.059726
  H      -6.935133      3.949443     -0.226448
  H      -5.373097      4.333826     -1.007435
  H      -6.331600      2.913430     -1.539726
  H      -7.791135      1.588440     -0.297653
  H      -8.819925     -0.439099      0.728227
  H      -3.355755     -1.988594      5.356059
  H      -4.379615      1.141703      2.266821
  H      -7.438351     11.518160     -0.232077
  H      -5.791200     11.510648     -0.880832
  H      -7.165055     11.077027     -1.948554
  H      -5.776440     11.234200      1.475777
  H      -4.921662     10.541841      3.711905
  H      -4.932139      3.564257      3.164942
  H      -6.310578      7.081862      0.440007
  H     -13.540398     -1.211541      1.594526
  H     -12.350023     -0.234688      0.676427
  H     -13.447068      0.566457      1.811636
  H     -11.471983      1.838145      1.432898
  H      -9.716189      3.541751      1.935623
  H      -6.550781      2.001096      7.290161
  H      -9.992979     -0.597777      4.670782
  N      -2.054901      1.496786      3.218394
  N      -1.277727      1.388301      2.404937
88
Coordinates from ORCA-job orca E -6723.638711089098
  N      -2.509660     -0.009144      5.564518
  Mo     -3.398151      1.672410      4.725832
  N      -4.696774      2.034035      6.313423
  C      -4.139544      2.863085      7.381452
  C      -2.668275      2.534052      7.564149
  N      -1.935248      2.378303      6.251257
  C      -0.836086      1.370908      6.425255
  C      -1.440489     -0.027017      6.522833
  C      -1.332394      3.661418      5.761843
  C      -2.393619      4.573540      5.179543
  N      -3.306592      3.723208      4.424957
  H      -0.678414     -0.785237      6.282083
  H      -1.821457     -0.246405      7.534565
  H      -0.202132      1.431230      5.531992
  H      -0.228240      1.625650      7.308136
  H      -2.943873      5.133730      5.952253
  H      -1.934212      5.326634      4.521056
  H      -0.772688      4.143810      6.579631
  H      -0.624067      3.381837      4.971594
  H      -4.660563      2.695488      8.339677
  H      -4.275178      3.927839      7.128133
  H      -2.589287      1.572774      8.085967
  H      -2.154730      3.295003      8.172122
  C      -6.013257      3.443728     -0.706004
  C      -5.289558      2.618646      0.326859
  O      -4.138098      2.880981      0.666762
  C      -6.004588      1.452034      0.936736
  C      -7.259491      1.000920      0.495939
  C      -7.846657     -0.121175      1.071613
  C      -7.189010     -0.785678      2.102215
  F      -7.801291     -1.848939      2.649775
  C      -5.942385     -0.356977      2.591301
  C      -5.205709     -1.091897      3.659789
  O      -5.385989     -2.281723      3.916097
  N      -4.231181     -0.335909      4.302445
  C      -3.348902     -0.923248      5.131870
  C      -5.376845      0.761714      1.977666
  C      -6.808291     11.021416     -0.886149
  C      -6.649309      9.555940     -0.542389
  O      -6.946277      8.684964     -1.355847
  C      -6.125218      9.196389      0.810606
  C      -5.758995     10.165118      1.761143
  C      -5.280539      9.778261      3.008069
  C      -5.154036      8.421754      3.300173
  F      -4.716801      8.103835      4.537703
  C      -5.501826      7.418431      2.381000
  C      -5.404797      5.935337      2.622368
  O      -6.190578      5.181577      2.034602
  N      -4.379370      5.562087      3.477772
  C      -4.240109      4.258511      3.645969
  C      -5.999682      7.843101      1.145368
  C     -12.851721     -0.287853      1.617862
  C     -11.863972     -0.507328      2.744650
  O     -11.911437     -1.524591      3.430427
  C     -10.830392      0.542283      2.996283
  C     -10.735319      1.708070      2.215289
  C      -9.751854      2.655317      2.477733
  C      -8.853944      2.425621      3.516924
  F      -7.930748      3.376910      3.758595
  C      -8.909268      1.276930      4.320555
  C      -7.984790      1.023547      5.478862
  O      -8.407591      0.445905      6.487548
  N      -6.681994      1.428832      5.281895
  C      -6.015200      1.818775      6.342739
  C      -9.923131      0.356198      4.047268
  H      -6.921016      3.883880     -0.268092
  H      -5.355548      4.247925     -1.051717
  H      -6.318493      2.822363     -1.561725
  H      -7.785717      1.523901     -0.302685
  H      -8.823143     -0.483897      0.752286
  H      -3.355329     -1.990114      5.390243
  H      -4.381099      1.106125      2.275360
  H      -7.497981     11.514796     -0.184490
  H      -5.844062     11.547184     -0.814995
  H      -7.198612     11.109860     -1.905433
  H      -5.851374     11.227809      1.536356
  H      -5.007751     10.510021      3.769022
  H      -4.916128      3.546097      3.138337
  H      -6.296594      7.085951      0.418818
  H     -13.539049     -1.139195      1.574942
  H     -12.330014     -0.188906      0.653590
  H     -13.423164      0.639899      1.772531
  H     -11.433909      1.884573      1.397098
  H      -9.663162      3.573441      1.896287
  H      -6.545970      2.029035      7.289330
  H     -10.001928     -0.538628      4.665680
  N      -2.060090      1.477410      3.217136
  N      -1.288370      1.365323      2.399201
88
Coordinates from ORCA-job orca E -6723.638724050132
  N      -2.497799     -0.010465      5.574167
  Mo     -3.395339      1.663408      4.730883
  N      -4.684075      2.041307      6.321698
  C      -4.121124      2.865757      7.390412
  C      -2.648850      2.535926      7.561718
  N      -1.924907      2.381785      6.243757
  C      -0.820064      1.379587      6.412183
  C      -1.417200     -0.020988      6.520050
  C      -1.331602      3.666884      5.747936
  C      -2.399294      4.569059      5.162152
  N      -3.301696      3.710137      4.403849
  H      -0.654347     -0.775872      6.271392
  H      -1.784671     -0.240399      7.536700
  H      -0.193770      1.439693      5.513568
  H      -0.206036      1.640076      7.289147
  H      -2.957130      5.124808      5.932522
  H      -1.944636      5.325887      4.504739
  H      -0.774064      4.156784      6.562709
  H      -0.622419      3.388894      4.957835
  H      -4.635830      2.692650      8.351088
  H      -4.259210      3.931749      7.144027
  H      -2.566511      1.573788      8.081359
  H      -2.130941      3.295570      8.167682
  C      -5.995165      3.346804     -0.740398
  C      -5.278004      2.537907      0.309916
  O      -4.124487      2.797887      0.644193
  C      -6.001291      1.388080      0.941509
  C      -7.257550      0.934650      0.506987
  C      -7.851209     -0.173421      1.102938
  C      -7.198681     -0.820987      2.147633
  F      -7.817879     -1.869603      2.715343
  C      -5.950317     -0.389559      2.629951
  C      -5.215958     -1.109647      3.709955
  O      -5.401619     -2.294138      3.986700
  N      -4.233957     -0.348869      4.335292
  C      -3.342953     -0.928301      5.160866
  C      -5.378700      0.714678      1.996206
  C      -6.851474     11.046055     -0.833677
  C      -6.669959      9.576524     -0.519496
  O      -6.933581      8.718613     -1.357935
  C      -6.162251      9.196703      0.834261
  C      -5.837040     10.150648      1.814018
  C      -5.372866      9.745709      3.060630
  C      -5.219227      8.385920      3.323016
  F      -4.798433      8.049059      4.561193
  C      -5.524816      7.396921      2.373664
  C      -5.395598      5.910935      2.581619
  O      -6.147564      5.152973      1.956360
  N      -4.380772      5.542179      3.451588
  C      -4.232436      4.239087      3.616742
  C      -6.010047      7.839087      1.139188
  C     -12.836015     -0.201864      1.584612
  C     -11.859484     -0.425898      2.720297
  O     -11.925853     -1.436922      3.413666
  C     -10.813634      0.611568      2.971371
  C     -10.695929      1.768866      2.180917
  C      -9.701295      2.704681      2.442720
  C      -8.815289      2.471839      3.491344
  F      -7.882384      3.413144      3.734570
  C      -8.892414      1.330540      4.303730
  C      -7.979520      1.073559      5.470146
  O      -8.416254      0.508239      6.479811
  N      -6.670045      1.461443      5.279727
  C      -6.005130      1.843236      6.345054
  C      -9.916928      0.421670      4.030701
  H      -6.900555      3.802208     -0.313451
  H      -5.331089      4.138874     -1.101397
  H      -6.302811      2.709699     -1.583680
  H      -7.779732      1.444554     -0.302660
  H      -8.828408     -0.537843      0.787843
  H      -3.349041     -1.992236      5.431107
  H      -4.382265      1.060120      2.289512
  H      -7.564223     11.510197     -0.135089
  H      -5.899356     11.588676     -0.731948
  H      -7.223688     11.149993     -1.858249
  H      -5.950705     11.215892      1.612175
  H      -5.132178     10.465258      3.843703
  H      -4.899303      3.523769      3.101703
  H      -6.274465      7.092305      0.389761
  H     -13.537419     -1.041875      1.546103
  H     -12.305714     -0.123043      0.623108
  H     -13.392345      0.737289      1.724318
  H     -11.385327      1.947707      1.355515
  H      -9.595820      3.616582      1.854362
  H      -6.538637      2.060067      7.288520
  H     -10.012620     -0.466745      4.655917
  N      -2.066904      1.454381      3.213688
  N      -1.302204      1.337968      2.390067
88
Coordinates from ORCA-job orca E -6723.638748558338
  N      -2.482948     -0.013008      5.582116
  Mo     -3.389769      1.654178      4.736195
  N      -4.670323      2.044195      6.329664
  C      -4.103290      2.862296      7.401387
  C      -2.629936      2.532792      7.561665
  N      -1.914362      2.383538      6.238781
  C      -0.802940      1.387355      6.400331
  C      -1.391444     -0.016636      6.515830
  C      -1.332071      3.672344      5.739227
  C      -2.406720      4.563788      5.149694
  N      -3.295237      3.696408      4.383905
  H      -0.627009     -0.766930      6.258253
  H      -1.745501     -0.238059      7.536736
  H      -0.184135      1.449339      5.496745
  H      -0.183439      1.652696      7.272034
  H      -2.974640      5.112515      5.917599
  H      -1.956666      5.326486      4.495955
  H      -0.778716      4.169548      6.552402
  H      -0.620468      3.398329      4.949860
  H      -4.612185      2.680745      8.363590
  H      -4.244587      3.929878      7.164355
  H      -2.543610      1.568906      8.077353
  H      -2.108656      3.290429      8.167319
  C      -5.970550      3.254426     -0.772587
  C      -5.260843      2.460685      0.294392
  O      -4.103782      2.714709      0.620848
  C      -5.994225      1.330214      0.948669
  C      -7.253954      0.878426      0.522622
  C      -7.855676     -0.214366      1.138425
  C      -7.207477     -0.848030      2.194545
  F      -7.834879     -1.880947      2.781660
  C      -5.955559     -0.417372      2.668357
  C      -5.223404     -1.124985      3.757882
  O      -5.415656     -2.303927      4.053731
  N      -4.232692     -0.361638      4.365755
  C      -3.333221     -0.934279      5.186638
  C      -5.376498      0.671367      2.015016
  C      -6.906305     11.057860     -0.786957
  C      -6.698740      9.586061     -0.500569
  O      -6.930534      8.740832     -1.361045
  C      -6.206192      9.188044      0.853567
  C      -5.923650     10.127068      1.860319
  C      -5.472400      9.705723      3.106261
  C      -5.288596      8.344570      3.340946
  F      -4.882726      7.990881      4.579288
  C      -5.550161      7.370161      2.363648
  C      -5.384306      5.883421      2.539228
  O      -6.097400      5.120898      1.875233
  N      -4.381699      5.520843      3.425737
  C      -4.221983      4.218641      3.587018
  C      -6.024236      7.828109      1.130636
  C     -12.821336     -0.099577      1.547401
  C     -11.857155     -0.333373      2.691745
  O     -11.944281     -1.340319      3.388714
  C     -10.797096      0.688647      2.946086
  C     -10.655295      1.840034      2.151103
  C      -9.648163      2.761795      2.415768
  C      -8.774158      2.520279      3.472407
  F      -7.830536      3.449313      3.721449
  C      -8.874299      1.383120      4.288488
  C      -7.972565      1.117375      5.461424
  O      -8.422900      0.561839      6.470331
  N      -6.656277      1.486943      5.277551
  C      -5.993437      1.860591      6.347304
  C      -9.910789      0.489123      4.012438
  H      -6.872264      3.726621     -0.356312
  H      -5.298593      4.032324     -1.149154
  H      -6.282974      2.602592     -1.602901
  H      -7.772429      1.377354     -0.296181
  H      -8.835150     -0.577407      0.828990
  H      -3.337697     -1.995317      5.467952
  H      -4.377782      1.014366      2.302527
  H      -7.639385     11.492823     -0.090573
  H      -5.967217     11.617493     -0.658730
  H      -7.264271     11.175740     -1.815072
  H      -6.060729     11.193398      1.679808
  H      -5.264874     10.413084      3.909619
  H      -4.876950      3.500165      3.061853
  H      -6.254424      7.091823      0.359922
  H     -13.537596     -0.927031      1.509482
  H     -12.282109     -0.037997      0.589541
  H     -13.361249      0.850645      1.675334
  H     -11.335499      2.025358      1.319626
  H      -9.524822      3.669262      1.824155
  H      -6.529746      2.082761      7.287841
  H     -10.024456     -0.395080      4.640646
  N      -2.067569      1.432027      3.213068
  N      -1.308262      1.310499      2.385517
88
Coordinates from ORCA-job orca E -6723.638775569949
  N      -2.467379     -0.016367      5.587988
  Mo     -3.383211      1.645265      4.741474
  N      -4.656451      2.044262      6.337510
  C      -4.086193      2.854777      7.413668
  C      -2.611759      2.526128      7.563022
  N      -1.904227      2.383853      6.235272
  C      -0.785982      1.393863      6.388816
  C      -1.365336     -0.013953      6.509712
  C      -1.333592      3.677369      5.733894
  C      -2.415410      4.558008      5.140864
  N      -3.288324      3.682756      4.365252
  H      -0.599062     -0.758909      6.242248
  H      -1.706061     -0.238925      7.534311
  H      -0.174502      1.459147      5.480578
  H      -0.161451      1.663077      7.255791
  H      -2.994568      5.097941      5.906459
  H      -1.969994      5.327941      4.492478
  H      -0.785425      4.181323      6.546400
  H      -0.618845      3.408894      4.945417
  H      -4.589520      2.662966      8.376780
  H      -4.231072      3.924121      7.187581
  H      -2.521149      1.559896      8.073528
  H      -2.087608      3.281179      8.169502
  C      -5.941685      3.168721     -0.802091
  C      -5.240580      2.389516      0.281350
  O      -4.079394      2.635224      0.599554
  C      -5.985180      1.279636      0.957502
  C      -7.249212      0.831955      0.540007
  C      -7.860026     -0.245219      1.174146
  C      -7.216181     -0.867370      2.240054
  F      -7.852639     -1.884338      2.844900
  C      -5.959994     -0.439782      2.705403
  C      -5.230423     -1.137125      3.802987
  O      -5.430201     -2.310465      4.116298
  N      -4.229999     -0.373445      4.393634
  C      -3.322401     -0.940624      5.208898
  C      -5.372612      0.633320      2.034079
  C      -6.966034     11.060360     -0.745963
  C      -6.731916      9.587852     -0.484601
  O      -6.934130      8.754725     -1.364204
  C      -6.253197      9.173587      0.869605
  C      -6.012448     10.097705      1.900364
  C      -5.572642      9.661721      3.145386
  C      -5.358057      8.300935      3.355138
  F      -4.965547      7.932458      4.593287
  C      -5.576400      7.341206      2.352892
  C      -5.372357      5.855781      2.498378
  O      -6.044522      5.089739      1.796824
  N      -4.382611      5.499654      3.401630
  C      -4.210493      4.198590      3.558291
  C      -6.040876      7.813165      1.121572
  C     -12.806571      0.007751      1.509711
  C     -11.855435     -0.237805      2.662623
  O     -11.964097     -1.241356      3.361429
  C     -10.780638      0.767268      2.921969
  C     -10.614619      1.913903      2.125016
  C      -9.594745      2.820546      2.394117
  C      -8.732677      2.567967      3.457863
  F      -7.778305      3.483825      3.714819
  C      -8.855920      1.433426      4.275080
  C      -7.965027      1.156896      5.453684
  O      -8.428469      0.610309      6.461235
  N      -6.642072      1.507659      5.275935
  C      -5.981248      1.873388      6.349873
  C      -9.904540      0.555531      3.994490
  H      -6.839248      3.658368     -0.397216
  H      -5.260776      3.931115     -1.193576
  H      -6.259569      2.503003     -1.619403
  H      -7.763785      1.321590     -0.286809
  H      -8.842361     -0.604978      0.870148
  H      -3.324574     -1.998882      5.500297
  H      -4.370897      0.971591      2.315925
  H      -7.716610     11.467801     -0.051497
  H      -6.039865     11.635835     -0.594807
  H      -7.312585     11.190594     -1.776468
  H      -6.173159     11.163807      1.738917
  H      -5.397417     10.357061      3.966673
  H      -4.852477      3.477369      3.021673
  H      -6.237130      7.087416      0.331838
  H     -13.537720     -0.806585      1.470539
  H     -12.258406      0.053399      0.555970
  H     -13.329512      0.968588      1.627335
  H     -11.285689      2.107459      1.288144
  H      -9.453478      3.724345      1.801073
  H      -6.520178      2.100026      7.287748
  H     -10.036325     -0.325463      4.623739
  N      -2.065122      1.410947      3.213951
  N      -1.310209      1.284010      2.383527
88
Coordinates from ORCA-job orca E -6723.638854984501
  N      -2.442170     -0.026825      5.596597
  Mo     -3.369026      1.629975      4.750290
  N      -4.631747      2.038468      6.351212
  C      -4.055715      2.840647      7.430921
  C      -2.579988      2.512797      7.566380
  N      -1.884163      2.377707      6.231746
  C      -0.758227      1.394379      6.374437
  C      -1.327796     -0.017138      6.503502
  C      -1.327338      3.676248      5.726841
  C      -2.418048      4.545407      5.132374
  N      -3.276340      3.662026      4.349067
  H      -0.560286     -0.757195      6.225969
  H      -1.652977     -0.244058      7.532704
  H      -0.157357      1.462402      5.459447
  H      -0.125914      1.668193      7.234355
  H      -3.006754      5.076646      5.896681
  H      -1.978539      5.322589      4.488596
  H      -0.782744      4.187545      6.537154
  H      -0.611254      3.413385      4.937656
  H      -4.552164      2.638698      8.395491
  H      -4.203302      3.911864      7.216227
  H      -2.483876      1.544246      8.071382
  H      -2.051132      3.265296      8.171966
  C      -5.919765      3.072007     -0.822961
  C      -5.222284      2.302094      0.268890
  O      -4.052321      2.530439      0.568435
  C      -5.980804      1.222924      0.978536
  C      -7.258721      0.792382      0.586235
  C      -7.880111     -0.262693      1.246274
  C      -7.232434     -0.880369      2.312861
  F      -7.877889     -1.876799      2.941818
  C      -5.964043     -0.466229      2.756001
  C      -5.232166     -1.155116      3.857587
  O      -5.439758     -2.322152      4.189332
  N      -4.220408     -0.391222      4.428275
  C      -3.303586     -0.953070      5.236960
  C      -5.366933      0.585275      2.059437
  C      -7.063535     11.024670     -0.710618
  C      -6.795423      9.553770     -0.473436
  O      -6.941646      8.735521     -1.377823
  C      -6.337568      9.125121      0.883335
  C      -6.162683     10.032136      1.942167
  C      -5.741012      9.582710      3.188589
  C      -5.477269      8.226746      3.372216
  F      -5.106106      7.843864      4.612479
  C      -5.627759      7.284644      2.341507
  C      -5.365848      5.806003      2.456601
  O      -5.984551      5.030832      1.716625
  N      -4.386436      5.467123      3.377566
  C      -4.194788      4.168778      3.531491
  C      -6.077021      7.768398      1.109038
  C     -12.759986      0.192047      1.425440
  C     -11.830669     -0.082872      2.589615
  O     -11.973744     -1.087273      3.280956
  C     -10.739445      0.897204      2.874020
  C     -10.536227      2.045148      2.087915
  C      -9.502398      2.929019      2.379736
  C      -8.663481      2.651250      3.455687
  F      -7.696893      3.547260      3.737575
  C      -8.821502      1.511295      4.260336
  C      -7.948989      1.204650      5.445195
  O      -8.432573      0.658623      6.442969
  N      -6.617219      1.529336      5.280744
  C      -5.958248      1.881560      6.360061
  C      -9.884466      0.658690      3.957958
  H      -6.804571      3.584912     -0.418863
  H      -5.229204      3.814356     -1.235415
  H      -6.257757      2.396333     -1.623960
  H      -7.775544      1.277699     -0.241721
  H      -8.873267     -0.608196      0.962070
  H      -3.302167     -2.008242      5.539252
  H      -4.356819      0.910963      2.324767
  H      -7.843074     11.397155     -0.028506
  H      -6.157686     11.621681     -0.523015
  H      -7.386118     11.166992     -1.747293
  H      -6.361618     11.094704      1.801329
  H      -5.617591     10.263859      4.030891
  H      -4.820273      3.441120      2.984855
  H      -6.220534      7.055183      0.296712
  H     -13.509120     -0.604963      1.371144
  H     -12.197627      0.230116      0.479655
  H     -13.262004      1.164119      1.541274
  H     -11.189694      2.257740      1.241890
  H      -9.332514      3.832823      1.794550
  H      -6.498885      2.112188      7.295954
  H     -10.043173     -0.224916      4.577367
  N      -2.057619      1.381490      3.216651
  N      -1.307903      1.245671      2.383223
88
Coordinates from ORCA-job orca E -6723.638817255469
  N      -2.384486     -0.044429      5.610379
  Mo     -3.328458      1.608751      4.755601
  N      -4.601548      2.004844      6.352992
  C      -4.035421      2.806076      7.439262
  C      -2.556653      2.492705      7.577169
  N      -1.860664      2.368001      6.241328
  C      -0.720687      1.400297      6.383402
  C      -1.272809     -0.016838      6.517750
  C      -1.323213      3.675847      5.738127
  C      -2.422369      4.529489      5.138629
  N      -3.260708      3.638484      4.346049
  H      -0.494896     -0.748987      6.247547
  H      -1.597041     -0.241766      7.547849
  H      -0.125363      1.474410      5.465428
  H      -0.088840      1.683606      7.240490
  H      -3.024747      5.051440      5.898841
  H      -1.984731      5.315148      4.503410
  H      -0.790500      4.197339      6.549881
  H      -0.599522      3.423439      4.952504
  H      -4.533994      2.592786      8.400025
  H      -4.189024      3.877510      7.229985
  H      -2.450892      1.524293      8.080290
  H      -2.033151      3.249261      8.182053
  C      -5.942856      3.008729     -0.812539
  C      -5.216407      2.220171      0.243045
  O      -4.030318      2.424870      0.495830
  C      -5.971445      1.171823      1.002198
  C      -7.282052      0.783775      0.679027
  C      -7.903726     -0.245291      1.376650
  C      -7.222385     -0.882388      2.410859
  F      -7.864658     -1.858334      3.073901
  C      -5.924416     -0.503695      2.792512
  C      -5.170036     -1.193999      3.878919
  O      -5.372655     -2.360119      4.217016
  N      -4.160694     -0.419588      4.442496
  C      -3.241057     -0.973711      5.257297
  C      -5.327281      0.523982      2.060225
  C      -7.199522     10.925508     -0.713375
  C      -6.886689      9.460972     -0.492500
  O      -6.962431      8.656505     -1.417733
  C      -6.454384      9.027345      0.870375
  C      -6.368916      9.917156      1.955726
  C      -5.972511      9.458082      3.206629
  C      -5.642312      8.114257      3.372008
  F      -5.299066      7.722887      4.617910
  C      -5.700160      7.191786      2.315965
  C      -5.365942      5.728707      2.410224
  O      -5.923590      4.936250      1.640178
  N      -4.393285      5.421620      3.349675
  C      -4.171684      4.129564      3.508372
  C      -6.127117      7.681768      1.077564
  C     -12.712786      0.522047      1.301417
  C     -11.817054      0.167707      2.470355
  O     -12.021282     -0.849984      3.126626
  C     -10.690991      1.088021      2.811062
  C     -10.417680      2.247837      2.065021
  C      -9.356013      3.078027      2.409345
  C      -8.558862      2.732239      3.497061
  F      -7.568807      3.582942      3.834048
  C      -8.778556      1.570198      4.255489
  C      -7.927430      1.185346      5.433919
  O      -8.432649      0.610903      6.402831
  N      -6.586350      1.482720      5.287570
  C      -5.927836      1.833036      6.365376
  C      -9.871454      0.776838      3.904490
  H      -6.795890      3.532679     -0.357563
  H      -5.259859      3.743300     -1.251124
  H      -6.338561      2.349774     -1.600416
  H      -7.824651      1.283657     -0.123355
  H      -8.924115     -0.552667      1.153470
  H      -3.228058     -2.026658      5.567341
  H      -4.297625      0.822371      2.277487
  H      -8.013424     11.257387     -0.051108
  H      -6.322552     11.550957     -0.486211
  H      -7.494089     11.072816     -1.757797
  H      -6.620930     10.970590      1.832634
  H      -5.920860     10.124783      4.068027
  H      -4.766130      3.383808      2.951429
  H      -6.200036      6.983989      0.241729
  H     -13.486525     -0.246280      1.201316
  H     -12.132674      0.580693      0.367717
  H     -13.185731      1.504729      1.449874
  H     -11.041792      2.511918      1.211065
  H      -9.127783      3.985725      1.851532
  H      -6.468688      2.061642      7.301904
  H     -10.078226     -0.120707      4.488715
  N      -2.003341      1.363165      3.231390
  N      -1.243731      1.213932      2.409316
88
Coordinates from ORCA-job orca E -6723.639093330920
  N      -2.401617     -0.044517      5.619910
  Mo     -3.339634      1.607613      4.765302
  N      -4.594685      2.030748      6.368326
  C      -4.013835      2.824993      7.451553
  C      -2.537180      2.497806      7.576133
  N      -1.852930      2.367329      6.234795
  C      -0.717975      1.392460      6.369301
  C      -1.276822     -0.022054      6.512809
  C      -1.311512      3.670694      5.724094
  C      -2.410946      4.525558      5.124266
  N      -3.251525      3.631941      4.334526
  H      -0.507190     -0.758844      6.231955
  H      -1.587880     -0.244720      7.547401
  H      -0.129990      1.460236      5.446077
  H      -0.076717      1.674595      7.219863
  H      -3.011019      5.049704      5.884733
  H      -1.975247      5.308813      4.485085
  H      -0.772617      4.192426      6.531578
  H      -0.592659      3.412491      4.935839
  H      -4.506326      2.614945      8.416296
  H      -4.160823      3.898085      7.246260
  H      -2.436249      1.528065      8.077681
  H      -2.002898      3.249049      8.178338
  C      -5.898617      2.921393     -0.858458
  C      -5.195243      2.156727      0.231165
  O      -4.012607      2.359919      0.498986
  C      -5.968375      1.126325      0.996320
  C      -7.272424      0.731639      0.655921
  C      -7.907547     -0.283227      1.362890
  C      -7.246807     -0.897780      2.423665
  F      -7.903205     -1.857625      3.096886
  C      -5.954811     -0.513376      2.820078
  C      -5.214483     -1.188038      3.926004
  O      -5.428087     -2.346450      4.282739
  N      -4.195075     -0.416554      4.475376
  C      -3.271192     -0.970578      5.283456
  C      -5.344303      0.499131      2.078004
  C      -7.261551     10.944704     -0.645906
  C      -6.920672      9.482633     -0.450456
  O      -6.984508      8.692595     -1.388777
  C      -6.481174      9.032691      0.905140
  C      -6.406859      9.906737      2.003846
  C      -6.002516      9.435115      3.247499
  C      -5.653921      8.093542      3.391104
  F      -5.304990      7.686371      4.630329
  C      -5.700467      7.186183      2.320954
  C      -5.347794      5.725033      2.394320
  O      -5.887699      4.939300      1.605177
  N      -4.382175      5.414653      3.339838
  C      -4.160931      4.121683      3.496391
  C      -6.135897      7.688637      1.090479
  C     -12.688135      0.526760      1.290935
  C     -11.798578      0.197952      2.471895
  O     -12.005709     -0.804355      3.150278
  C     -10.671362      1.123862      2.794057
  C     -10.391489      2.264043      2.020692
  C      -9.327546      3.098146      2.348070
  C      -8.534408      2.776964      3.446388
  F      -7.541410      3.632084      3.763845
  C      -8.762706      1.636205      4.234004
  C      -7.923534      1.271375      5.426896
  O      -8.441329      0.720395      6.403594
  N      -6.578920      1.553246      5.287360
  C      -5.923467      1.889062      6.372743
  C      -9.857314      0.837974      3.897862
  H      -6.756769      3.465030     -0.437373
  H      -5.201422      3.638294     -1.303764
  H      -6.280158      2.241144     -1.635349
  H      -7.798867      1.213407     -0.167999
  H      -8.922343     -0.597589      1.123710
  H      -3.267247     -2.021550      5.600604
  H      -4.318891      0.801466      2.307593
  H      -8.082425     11.249463      0.020995
  H      -6.396958     11.583009     -0.407036
  H      -7.558019     11.105637     -1.687752
  H      -6.673586     10.958290      1.896647
  H      -5.958723     10.088548      4.119311
  H      -4.756861      3.377212      2.939435
  H      -6.201506      7.001381      0.245826
  H     -13.469327     -0.236476      1.210707
  H     -12.104286      0.551259      0.357916
  H     -13.150742      1.518297      1.408061
  H     -11.011280      2.510268      1.158373
  H      -9.096850      3.993605      1.771314
  H      -6.466327      2.126331      7.305839
  H     -10.070141     -0.043593      4.503940
  N      -2.033456      1.338965      3.228419
  N      -1.286036      1.184913      2.396301
88
Coordinates from ORCA-job orca E -6723.639293915197
  N      -2.386754     -0.051377      5.630005
  Mo     -3.332370      1.595243      4.774555
  N      -4.576609      2.031068      6.381132
  C      -3.989711      2.817816      7.466802
  C      -2.512624      2.489543      7.578704
  N      -1.838946      2.364256      6.231650
  C      -0.698634      1.394120      6.356587
  C      -1.249965     -0.023244      6.508312
  C      -1.308804      3.671147      5.717361
  C      -2.416158      4.515239      5.115258
  N      -3.242775      3.613207      4.318942
  H      -0.480824     -0.756464      6.217028
  H      -1.545683     -0.247219      7.547042
  H      -0.120234      1.462800      5.427466
  H      -0.050158      1.680385      7.200353
  H      -3.025196      5.030922      5.874241
  H      -1.987147      5.304619      4.479207
  H      -0.773244      4.199215      6.522907
  H      -0.588805      3.417556      4.928600
  H      -4.476035      2.600557      8.433093
  H      -4.138229      3.892380      7.270927
  H      -2.407963      1.517806      8.075544
  H      -1.973804      3.238088      8.180302
  C      -5.860888      2.822344     -0.881343
  C      -5.166976      2.070800      0.224172
  O      -3.980399      2.260185      0.484272
  C      -5.953207      1.065433      1.008789
  C      -7.260656      0.677774      0.673941
  C      -7.907815     -0.315958      1.400111
  C      -7.255580     -0.916120      2.474497
  F      -7.924663     -1.853195      3.167424
  C      -5.959716     -0.538254      2.864432
  C      -5.224620     -1.200669      3.981081
  O      -5.444916     -2.352385      4.354923
  N      -4.195164     -0.430120      4.511531
  C      -3.263099     -0.978990      5.312897
  C      -5.337539      0.452623      2.103100
  C      -7.374878     10.914934     -0.589348
  C      -6.991024      9.459866     -0.422541
  O      -7.012335      8.691477     -1.380570
  C      -6.558695      8.991230      0.929116
  C      -6.534156      9.839129      2.050002
  C      -6.134529      9.351169      3.288847
  C      -5.741536      8.019310      3.405486
  F      -5.399447      7.593967      4.640312
  C      -5.737563      7.138077      2.312451
  C      -5.334046      5.688483      2.355998
  O      -5.824412      4.906373      1.531740
  N      -4.382332      5.385742      3.317217
  C      -4.147647      4.094937      3.471197
  C      -6.169473      7.655875      1.087218
  C     -12.659915      0.695762      1.242321
  C     -11.790040      0.351443      2.433447
  O     -12.034125     -0.635773      3.121501
  C     -10.637184      1.245447      2.755029
  C     -10.314858      2.366567      1.970687
  C      -9.228486      3.171488      2.297969
  C      -8.456470      2.840235      3.408202
  F      -7.443746      3.671190      3.728346
  C      -8.726894      1.715901      4.206708
  C      -7.910393      1.338106      5.411175
  O      -8.451522      0.806149      6.385698
  N      -6.557814      1.587736      5.284554
  C      -5.907182      1.911297      6.376921
  C      -9.842042      0.947376      3.869213
  H      -6.710269      3.388903     -0.472366
  H      -5.152515      3.517564     -1.342666
  H      -6.252841      2.130554     -1.642928
  H      -7.780185      1.147602     -0.161133
  H      -8.924757     -0.625353      1.163310
  H      -3.257871     -2.026585      5.640715
  H      -4.309246      0.747061      2.328602
  H      -8.215631     11.178324      0.070559
  H      -6.534481     11.573877     -0.321059
  H      -7.659188     11.091816     -1.631945
  H      -6.835179     10.883289      1.963407
  H      -6.128000      9.983646      4.176906
  H      -4.730488      3.346560      2.906255
  H      -6.195042      6.988134      0.225196
  H     -13.466650     -0.041059      1.165785
  H     -12.068975      0.687769      0.313445
  H     -13.088308      1.704077      1.343081
  H     -10.918028      2.621171      1.099280
  H      -8.965755      4.052804      1.713222
  H      -6.453662      2.157382      7.305495
  H     -10.087511      0.079750      4.483454
  N      -2.034344      1.310067      3.231808
  N      -1.292750      1.147842      2.396272
88
Coordinates from ORCA-job orca E -6723.638109565931
  N      -2.365692     -0.040092      5.646457
  Mo     -3.311552      1.591586      4.766979
  N      -4.603883      2.001269      6.345987
  C      -4.053924      2.795534      7.445934
  C      -2.575889      2.492717      7.591045
  N      -1.866296      2.383482      6.263343
  C      -0.716061      1.430985      6.413531
  C      -1.250498      0.005220      6.552311
  C      -1.346489      3.701103      5.767177
  C      -2.452438      4.525296      5.136078
  N      -3.237889      3.608023      4.316791
  H      -0.464323     -0.715543      6.276866
  H      -1.565559     -0.225126      7.583608
  H      -0.118000      1.508693      5.497733
  H      -0.091382      1.725666      7.272293
  H      -3.095368      5.021879      5.879365
  H      -2.024610      5.324430      4.511859
  H      -0.844663      4.235979      6.589433
  H      -0.600314      3.464528      4.997586
  H      -4.556782      2.570730      8.402111
  H      -4.218657      3.867232      7.246186
  H      -2.466090      1.521506      8.087736
  H      -2.066922      3.249082      8.208778
  C      -5.708952      2.830151     -0.909089
  C      -5.022015      2.071200      0.202769
  O      -3.848591      2.284835      0.493562
  C      -5.798080      1.014336      0.926982
  C      -7.067542      0.572232      0.519959
  C      -7.718993     -0.441141      1.219408
  C      -7.111548     -1.001592      2.339239
  F      -7.796117     -1.941995      3.014719
  C      -5.845511     -0.585405      2.785794
  C      -5.141758     -1.231425      3.930727
  O      -5.342785     -2.391490      4.286022
  N      -4.139788     -0.447440      4.486160
  C      -3.220307     -0.981026      5.309276
  C      -5.214344      0.416934      2.046666
  C      -7.470874     10.916426     -0.540624
  C      -7.019597      9.478198     -0.400006
  O      -7.052005      8.713554     -1.360499
  C      -6.549681      9.004139      0.938421
  C      -6.513544      9.840160      2.066612
  C      -6.076735      9.350054      3.292564
  C      -5.667271      8.021684      3.387226
  F      -5.282111      7.593753      4.607621
  C      -5.680241      7.149267      2.283875
  C      -5.269902      5.698532      2.303106
  O      -5.741258      4.935912      1.451057
  N      -4.351281      5.368935      3.282080
  C      -4.123382      4.077418      3.440951
  C      -6.141946      7.673066      1.073614
  C     -12.934812      0.843731      1.486797
  C     -12.034505      0.492009      2.651367
  O     -12.318493     -0.427809      3.413453
  C     -10.787942      1.293333      2.846913
  C     -10.411662      2.323897      1.967699
  C      -9.243800      3.046603      2.185596
  C      -8.451833      2.728044      3.283742
  F      -7.365631      3.491767      3.508328
  C      -8.777559      1.698160      4.177165
  C      -7.947412      1.351047      5.381163
  O      -8.487430      0.894824      6.395401
  N      -6.587557      1.553248      5.226834
  C      -5.936438      1.890504      6.315736
  C      -9.964227      1.001234      3.941813
  H      -6.574304      3.385501     -0.513804
  H      -4.998561      3.537103     -1.346955
  H      -6.072846      2.142737     -1.688530
  H      -7.554427      1.012909     -0.349541
  H      -8.702999     -0.801050      0.917530
  H      -3.208153     -2.028092      5.637210
  H      -4.204820      0.735164      2.318513
  H      -8.305431     11.134823      0.143570
  H      -6.653148     11.607769     -0.283799
  H      -7.788256     11.094585     -1.573093
  H      -6.826122     10.882108      1.995910
  H      -6.051412      9.975808      4.184550
  H      -4.687590      3.323875      2.862906
  H      -6.177779      7.012178      0.207611
  H     -13.809246      0.183307      1.496122
  H     -12.399533      0.729115      0.531685
  H     -13.263472      1.891166      1.547726
  H     -11.028580      2.573799      1.105053
  H      -8.936123      3.863023      1.530750
  H      -6.489790      2.150305      7.235974
  H     -10.255440      0.205430      4.631239
  N      -1.971372      1.322463      3.260218
  N      -1.202182      1.161747      2.449202
88
Coordinates from ORCA-job orca E -6723.639558943589
  N      -2.362929     -0.059528      5.661278
  Mo     -3.302555      1.581136      4.786353
  N      -4.561485      2.028646      6.380283
  C      -3.983398      2.814907      7.471037
  C      -2.507351      2.488149      7.593329
  N      -1.823528      2.362576      6.252213
  C      -0.681318      1.396249      6.386685
  C      -1.229022     -0.022582      6.543082
  C      -1.296573      3.671355      5.739284
  C      -2.402571      4.503690      5.117285
  N      -3.205770      3.590179      4.311639
  H      -0.456520     -0.754424      6.257443
  H      -1.526026     -0.243372      7.582026
  H      -0.100344      1.462484      5.459057
  H      -0.036629      1.687785      7.231582
  H      -3.030750      5.012155      5.865446
  H      -1.972102      5.295521      4.485467
  H      -0.776486      4.206706      6.549893
  H      -0.564469      3.420696      4.960632
  H      -4.476598      2.597985      8.433976
  H      -4.131601      3.889499      7.274081
  H      -2.405157      1.517058      8.091680
  H      -1.974137      3.237959      8.198347
  C      -5.793862      2.710065     -0.931802
  C      -5.101562      1.975243      0.187803
  O      -3.915128      2.164131      0.444321
  C      -5.893567      0.984244      0.984855
  C      -7.202750      0.599238      0.653440
  C      -7.861843     -0.369987      1.402570
  C      -7.220344     -0.947052      2.495130
  F      -7.903548     -1.855473      3.213410
  C      -5.920497     -0.576430      2.877065
  C      -5.192996     -1.223511      4.008414
  O      -5.416711     -2.370206      4.393396
  N      -4.167345     -0.446708      4.536778
  C      -3.240405     -0.987671      5.348941
  C      -5.284643      0.388205      2.092602
  C      -7.631651     10.824271     -0.491825
  C      -7.136330      9.398695     -0.372754
  O      -7.121453      8.655815     -1.350561
  C      -6.670525      8.917175      0.963798
  C      -6.692473      9.730842      2.109943
  C      -6.260878      9.231050      3.333288
  C      -5.793164      7.920654      3.409711
  F      -5.422115      7.480307      4.630710
  C      -5.742104      7.073429      2.289746
  C      -5.269386      5.643259      2.292199
  O      -5.696991      4.872438      1.423535
  N      -4.342020      5.342215      3.275697
  C      -4.094680      4.054581      3.438297
  C      -6.204338      7.602915      1.080740
  C     -12.698768      0.998496      1.233607
  C     -11.853067      0.620882      2.430899
  O     -12.160377     -0.332384      3.141292
  C     -10.632911      1.433083      2.722602
  C     -10.225890      2.499427      1.901304
  C      -9.081492      3.228484      2.204922
  C      -8.340447      2.879644      3.329852
  F      -7.274077      3.648369      3.629880
  C      -8.692131      1.806192      4.162920
  C      -7.903522      1.408463      5.379109
  O      -8.473838      0.915590      6.357934
  N      -6.540476      1.607455      5.263854
  C      -5.894785      1.929754      6.359350
  C      -9.860341      1.109760      3.845570
  H      -6.636721      3.293147     -0.532204
  H      -5.081596      3.390795     -1.408298
  H      -6.192081      2.005793     -1.678265
  H      -7.715139      1.051886     -0.195245
  H      -8.880133     -0.677671      1.168207
  H      -3.240166     -2.032395      5.686233
  H      -4.254178      0.675876      2.313816
  H      -8.483671     11.001779      0.182024
  H      -6.841675     11.536642     -0.208718
  H      -7.938679     11.011385     -1.526144
  H      -7.053463     10.758084      2.056043
  H      -6.286607      9.836169      4.239859
  H      -4.654270      3.291471      2.868083
  H      -6.196438      6.959930      0.200000
  H     -13.559337      0.323370      1.176551
  H     -12.113945      0.924219      0.303866
  H     -13.049847      2.038269      1.311380
  H     -10.805096      2.771903      1.018906
  H      -8.750118      4.067033      1.592340
  H      -6.446739      2.190821      7.280430
  H     -10.169727      0.282626      4.486768
  N      -1.994352      1.278994      3.256578
  N      -1.243599      1.099915      2.432584
88
Coordinates from ORCA-job orca E -6723.638713663507
  N      -2.396988     -0.057753      5.656463
  Mo     -3.328428      1.589062      4.789136
  N      -4.558130      2.053156      6.398857
  C      -3.957609      2.837814      7.478507
  C      -2.483474      2.492953      7.582814
  N      -1.819641      2.357149      6.231773
  C      -0.686520      1.378142      6.351882
  C      -1.248800     -0.033134      6.520192
  C      -1.283843      3.658608      5.710164
  C      -2.388714      4.503070      5.104440
  N      -3.213883      3.598294      4.310248
  H      -0.489811     -0.775151      6.224429
  H      -1.533137     -0.247251      7.564189
  H      -0.117428      1.435088      5.416223
  H      -0.026742      1.664428      7.186845
  H      -2.999137      5.020786      5.860859
  H      -1.957806      5.289587      4.466223
  H      -0.745738      4.188852      6.512552
  H      -0.565667      3.398188      4.921952
  H      -4.440584      2.629085      8.448338
  H      -4.095573      3.913304      7.280193
  H      -2.386428      1.521463      8.081734
  H      -1.933024      3.236988      8.179593
  C      -5.947940      2.729265     -0.878849
  C      -5.233580      1.990369      0.222185
  O      -4.035527      2.157566      0.440367
  C      -6.016447      1.015399      1.046129
  C      -7.336081      0.642299      0.745134
  C      -7.988263     -0.317258      1.510366
  C      -7.326955     -0.898264      2.589623
  F      -8.000484     -1.800561      3.323280
  C      -6.015889     -0.537135      2.943151
  C      -5.271877     -1.191527      4.058193
  O      -5.499907     -2.336322      4.449061
  N      -4.223360     -0.428371      4.562629
  C      -3.289334     -0.977764      5.362393
  C      -5.389232      0.420401      2.143899
  C      -7.603683     10.864765     -0.483212
  C      -7.156151      9.424534     -0.353601
  O      -7.202412      8.663786     -1.316725
  C      -6.643328      8.958466      0.970660
  C      -6.580878      9.800314      2.094238
  C      -6.108778      9.314154      3.307809
  C      -5.683653      7.989901      3.396661
  F      -5.271149      7.568616      4.611102
  C      -5.715665      7.113821      2.299152
  C      -5.285422      5.670320      2.315078
  O      -5.751247      4.894706      1.468533
  N      -4.340320      5.363871      3.282316
  C      -4.109175      4.074526      3.448345
  C      -6.217700      7.631094      1.100108
  C     -12.508320      0.804840      1.066872
  C     -11.671666      0.439704      2.275549
  O     -11.935943     -0.558268      2.940103
  C     -10.524629      1.324577      2.640930
  C     -10.170964      2.450223      1.876603
  C      -9.091638      3.247127      2.245228
  C      -8.358789      2.903311      3.377860
  F      -7.357476      3.730344      3.744864
  C      -8.662104      1.775038      4.158635
  C      -7.885071      1.387562      5.385497
  O      -8.452946      0.849858      6.340958
  N      -6.529400      1.630513      5.290333
  C      -5.890497      1.958916      6.387458
  C      -9.768982      1.014340      3.778954
  H      -6.768075      3.326764     -0.456303
  H      -5.239560      3.393088     -1.384677
  H      -6.383385      2.026421     -1.606263
  H      -7.861936      1.097610     -0.093936
  H      -9.013989     -0.615325      1.298722
  H      -3.293205     -2.020549      5.705646
  H      -4.350620      0.698530      2.340264
  H      -8.418979     11.087706      0.221669
  H      -6.776687     11.553097     -0.249141
  H      -7.946878     11.041412     -1.507991
  H      -6.907177     10.838502      2.029602
  H      -6.069279      9.942111      4.198297
  H      -4.692964      3.322321      2.889472
  H      -6.271424      6.968883      0.235883
  H     -13.314073      0.071505      0.956596
  H     -11.891940      0.809987      0.154605
  H     -12.937226      1.812709      1.171625
  H     -10.742388      2.713737      0.986633
  H      -8.805989      4.131819      1.676799
  H      -6.442355      2.217945      7.309326
  H     -10.038674      0.144283      4.378459
  N      -2.040246      1.261594      3.246466
  N      -1.303320      1.073883      2.412202
88
Coordinates from ORCA-job orca E -6723.639757378708
  N      -2.358192     -0.062145      5.661519
  Mo     -3.297717      1.578964      4.787985
  N      -4.554244      2.031541      6.382359
  C      -3.973100      2.809005      7.478098
  C      -2.497483      2.477767      7.595406
  N      -1.817220      2.358991      6.252138
  C      -0.673259      1.393950      6.379831
  C      -1.218492     -0.025985      6.535737
  C      -1.294383      3.670830      5.743218
  C      -2.401832      4.499814      5.120166
  N      -3.195147      3.585632      4.305454
  H      -0.446643     -0.755713      6.242715
  H      -1.508268     -0.250310      7.575996
  H      -0.095969      1.463058      5.450145
  H      -0.025654      1.684254      7.222889
  H      -3.037363      5.000363      5.867337
  H      -1.972522      5.297411      4.494911
  H      -0.778544      4.206837      6.556094
  H      -0.559328      3.424776      4.965910
  H      -4.464698      2.584848      8.440210
  H      -4.119680      3.885408      7.290407
  H      -2.396621      1.503216      8.087322
  H      -1.960993      3.222242      8.204150
  C      -5.827388      2.681495     -0.930340
  C      -5.128741      1.948601      0.186154
  O      -3.938661      2.130997      0.429642
  C      -5.920051      0.971268      1.000876
  C      -7.237236      0.595544      0.688916
  C      -7.894718     -0.364237      1.451338
  C      -7.243081     -0.940543      2.538264
  F      -7.922780     -1.840611      3.269739
  C      -5.936232     -0.576856      2.902445
  C      -5.202055     -1.222537      4.029629
  O      -5.429015     -2.366472      4.422112
  N      -4.170021     -0.447563      4.548463
  C      -3.240134     -0.988534      5.358021
  C      -5.302401      0.378397      2.105470
  C      -7.658108     10.816496     -0.476220
  C      -7.155204      9.393169     -0.364913
  O      -7.136227      8.655561     -1.346642
  C      -6.679549      8.910351      0.967609
  C      -6.701174      9.720538      2.116185
  C      -6.261542      9.219424      3.336154
  C      -5.785449      7.911599      3.406822
  F      -5.406631      7.470843      4.625366
  C      -5.733473      7.068262      2.284094
  C      -5.251528      5.641540      2.278675
  O      -5.667169      4.875503      1.400048
  N      -4.329389      5.338138      3.266666
  C      -4.078062      4.051061      3.425273
  C      -6.203424      7.598854      1.078430
  C     -12.650128      0.990984      1.176594
  C     -11.804264      0.611044      2.373252
  O     -12.094698     -0.362643      3.062787
  C     -10.607603      1.447747      2.691603
  C     -10.218210      2.536921      1.892129
  C      -9.093932      3.287481      2.218402
  C      -8.354444      2.934756      3.343243
  F      -7.308604      3.720561      3.666765
  C      -8.687609      1.839279      4.154628
  C      -7.898092      1.436420      5.369480
  O      -8.468530      0.933900      6.342603
  N      -6.534082      1.633065      5.257476
  C      -5.888927      1.946347      6.355793
  C      -9.838556      1.124180      3.817132
  H      -6.662697      3.270908     -0.525548
  H      -5.116010      3.355431     -1.418132
  H      -6.237305      1.975115     -1.668239
  H      -7.757487      1.049220     -0.154347
  H      -8.919210     -0.663184      1.233390
  H      -3.240185     -2.032037      5.699539
  H      -4.267666      0.660834      2.314475
  H      -8.508663     10.986171      0.201200
  H      -6.870910     11.531508     -0.192107
  H      -7.969139     11.006511     -1.508848
  H      -7.069501     10.745450      2.066969
  H      -6.287683      9.821521      4.244837
  H      -4.630466      3.289449      2.846949
  H      -6.193071      6.958807      0.195195
  H     -13.492738      0.295885      1.099478
  H     -12.056205      0.949190      0.250581
  H     -13.027766      2.020263      1.271133
  H     -10.795939      2.810495      1.008979
  H      -8.776721      4.143793      1.623086
  H      -6.441999      2.208114      7.276050
  H     -10.134095      0.279588      4.441051
  N      -1.990311      1.267927      3.258397
  N      -1.240088      1.083773      2.435181
88
Coordinates from ORCA-job orca E -6723.639874534480
  N      -2.353521     -0.069815      5.670622
  Mo     -3.294746      1.570332      4.796657
  N      -4.536690      2.043895      6.395778
  C      -3.944317      2.814162      7.490408
  C      -2.469654      2.474187      7.594661
  N      -1.801530      2.353207      6.245527
  C      -0.657776      1.386630      6.364715
  C      -1.202981     -0.032657      6.530516
  C      -1.282918      3.664267      5.729923
  C      -2.394035      4.488598      5.106216
  N      -3.183971      3.570175      4.292906
  H      -0.435412     -0.763564      6.229260
  H      -1.479443     -0.254968      7.574809
  H      -0.090154      1.452503      5.428917
  H      -0.001044      1.678280      7.200266
  H      -3.031790      4.986810      5.853035
  H      -1.968005      5.287131      4.479987
  H      -0.765727      4.204572      6.539040
  H      -0.549797      3.416907      4.951143
  H      -4.429967      2.588531      8.455250
  H      -4.086398      3.892173      7.308674
  H      -2.370327      1.498371      8.084286
  H      -1.923690      3.214576      8.199950
  C      -5.855499      2.611823     -0.928195
  C      -5.151946      1.883584      0.188236
  O      -3.957163      2.054465      0.416042
  C      -5.945896      0.926989      1.025008
  C      -7.272555      0.566051      0.735911
  C      -7.933377     -0.373343      1.520601
  C      -7.275338     -0.943015      2.607118
  F      -7.958081     -1.821563      3.361843
  C      -5.959124     -0.592431      2.949258
  C      -5.220516     -1.229424      4.078462
  O      -5.450989     -2.367660      4.485362
  N      -4.180847     -0.453802      4.581087
  C      -3.244683     -0.993025      5.384614
  C      -5.321717      0.341381      2.129809
  C      -7.755378     10.778177     -0.426179
  C      -7.210184      9.368843     -0.337832
  O      -7.163523      8.650313     -1.332636
  C      -6.737073      8.872628      0.990705
  C      -6.795627      9.658471      2.154933
  C      -6.356852      9.145211      3.370096
  C      -5.845390      7.849899      3.420923
  F      -5.468413      7.395943      4.635237
  C      -5.756219      7.031104      2.282398
  C      -5.237645      5.617445      2.255047
  O      -5.621645      4.859878      1.355560
  N      -4.322401      5.316370      3.249706
  C      -4.065013      4.030581      3.408442
  C      -6.225589      7.572998      1.081508
  C     -12.562051      1.094814      1.081754
  C     -11.741602      0.709442      2.294181
  O     -12.049843     -0.263835      2.976582
  C     -10.544710      1.537221      2.634113
  C     -10.128680      2.618953      1.837778
  C      -9.003681      3.359959      2.183077
  C      -8.290488      3.004651      3.324053
  F      -7.244590      3.782213      3.667102
  C      -8.649355      1.915347      4.132084
  C      -7.881933      1.504046      5.357692
  O      -8.470810      1.011099      6.324596
  N      -6.514164      1.680222      5.260206
  C      -5.872447      1.982719      6.363380
  C      -9.800689      1.210344      3.775257
  H      -6.679470      3.214821     -0.519630
  H      -5.143107      3.273140     -1.431599
  H      -6.281975      1.901718     -1.652974
  H      -7.798140      1.016068     -0.105986
  H      -8.965795     -0.658926      1.322553
  H      -3.249212     -2.034003      5.733893
  H      -4.281630      0.614699      2.322723
  H      -8.617788     10.907380      0.245175
  H      -6.993837     11.511132     -0.119022
  H      -8.061619     10.979460     -1.458103
  H      -7.192275     10.673369      2.121739
  H      -6.410794      9.727755      4.290226
  H      -4.610846      3.264537      2.829504
  H      -6.186281      6.951319      0.185973
  H     -13.409407      0.407236      0.990332
  H     -11.951813      1.045794      0.166748
  H     -12.931560      2.127756      1.167667
  H     -10.685848      2.894327      0.942037
  H      -8.664805      4.209572      1.589927
  H      -6.426469      2.253616      7.280396
  H     -10.115164      0.369740      4.395458
  N      -2.003486      1.241690      3.256656
  N      -1.261389      1.048229      2.428275
88
Coordinates from ORCA-job orca E -6723.640026201900
  N      -2.347791     -0.070990      5.681683
  Mo     -3.290953      1.566152      4.804726
  N      -4.523407      2.056925      6.405208
  C      -3.924139      2.817647      7.503003
  C      -2.450376      2.471217      7.596923
  N      -1.791073      2.353664      6.243241
  C      -0.645003      1.388838      6.354272
  C      -1.187062     -0.031155      6.528171
  C      -1.279649      3.666848      5.725676
  C      -2.395341      4.483124      5.098891
  N      -3.173414      3.559108      4.279899
  H      -0.422062     -0.761146      6.218258
  H      -1.450309     -0.253100      7.575892
  H      -0.086141      1.453697      5.413214
  H       0.018910      1.682795      7.183396
  H      -3.040932      4.974311      5.843566
  H      -1.973269      5.286314      4.476032
  H      -0.766320      4.211960      6.534012
  H      -0.544508      3.422853      4.947689
  H      -4.405777      2.585985      8.468415
  H      -4.063337      3.897480      7.330764
  H      -2.352009      1.492873      8.081604
  H      -1.897852      3.206513      8.202500
  C      -5.877265      2.522338     -0.937502
  C      -5.167727      1.801788      0.180430
  O      -3.968358      1.961427      0.391106
  C      -5.962514      0.865765      1.038911
  C      -7.292268      0.506975      0.762748
  C      -7.955695     -0.411442      1.569646
  C      -7.296630     -0.961278      2.665873
  F      -7.982782     -1.816631      3.443975
  C      -5.976094     -0.613068      2.993828
  C      -5.235184     -1.234701      4.129757
  O      -5.466908     -2.366678      4.553377
  N      -4.188734     -0.456871      4.614568
  C      -3.246489     -0.992523      5.413524
  C      -5.336243      0.299010      2.152148
  C      -7.852872     10.753719     -0.360569
  C      -7.272577      9.356999     -0.299261
  O      -7.201382      8.661891     -1.309116
  C      -6.791836      8.845097      1.020611
  C      -6.878147      9.603017      2.201265
  C      -6.431442      9.075460      3.407323
  C      -5.884592      7.793910      3.432778
  F      -5.501160      7.325291      4.639384
  C      -5.766698      7.002943      2.277055
  C      -5.209927      5.604013      2.222036
  O      -5.553486      4.861182      1.294214
  N      -4.309198      5.299534      3.227979
  C      -4.047010      4.015078      3.385120
  C      -6.245019      7.558408      1.085877
  C     -12.506852      1.207245      1.015210
  C     -11.701330      0.813468      2.234997
  O     -12.030603     -0.151351      2.919634
  C     -10.494404      1.623906      2.580958
  C     -10.050722      2.690217      1.779085
  C      -8.917074      3.415603      2.130108
  C      -8.223759      3.059847      3.283248
  F      -7.170540      3.824679      3.634446
  C      -8.610860      1.984671      4.097346
  C      -7.865730      1.572536      5.335934
  O      -8.473756      1.096848      6.299571
  N      -6.494115      1.725560      5.252907
  C      -5.859306      2.019982      6.362369
  C      -9.769104      1.295155      3.733458
  H      -6.688389      3.141308     -0.526776
  H      -5.163594      3.167050     -1.460006
  H      -6.322674      1.807149     -1.645919
  H      -7.818185      0.941435     -0.087073
  H      -8.989730     -0.696789      1.380160
  H      -3.252163     -2.030219      5.772328
  H      -4.293728      0.569221      2.334313
  H      -8.722501     10.845767      0.307709
  H      -7.112362     11.499019     -0.032102
  H      -8.157761     10.969843     -1.389843
  H      -7.302114     10.607259      2.187912
  H      -6.505567      9.636126      4.339510
  H      -4.582414      3.246742      2.799986
  H      -6.183829      6.958130      0.177426
  H     -13.366609      0.535364      0.922232
  H     -11.891796      1.140994      0.104499
  H     -12.856713      2.247564      1.092529
  H     -10.592368      2.966009      0.874138
  H      -8.557151      4.253882      1.533394
  H      -6.417175      2.302147      7.273583
  H     -10.105039      0.465934      4.357885
  N      -2.008775      1.219020      3.260191
  N      -1.271489      1.015933      2.429965
88
Coordinates from ORCA-job orca E -6723.640179323631
  N      -2.341250     -0.071876      5.687548
  Mo     -3.287197      1.563676      4.810882
  N      -4.510578      2.069079      6.413175
  C      -3.904685      2.817590      7.515945
  C      -2.431841      2.464676      7.598760
  N      -1.781153      2.353450      6.240539
  C      -0.632351      1.390735      6.341699
  C      -1.170403     -0.030697      6.520386
  C      -1.277565      3.669992      5.723672
  C      -2.398007      4.478849      5.095112
  N      -3.163648      3.550730      4.268443
  H      -0.407723     -0.758616      6.200007
  H      -1.420117     -0.254946      7.570863
  H      -0.082011      1.456930      5.395794
  H       0.038283      1.685565      7.165155
  H      -3.051836      4.960985      5.838463
  H      -1.980283      5.288206      4.477424
  H      -0.768675      4.218559      6.532448
  H      -0.540053      3.431258      4.946240
  H      -4.382286      2.577161      8.481227
  H      -4.041218      3.899574      7.356072
  H      -2.334598      1.482763      8.076300
  H      -1.872776      3.193481      8.206198
  C      -5.904484      2.446521     -0.942740
  C      -5.188845      1.731121      0.174811
  O      -3.985642      1.880787      0.369846
  C      -5.983161      0.813449      1.053109
  C      -7.316381      0.457289      0.791115
  C      -7.980256     -0.442664      1.618197
  C      -7.317756     -0.975558      2.720783
  F      -8.004659     -1.811014      3.519703
  C      -5.992998     -0.629658      3.033953
  C      -5.248029     -1.237949      4.174152
  O      -5.480378     -2.364198      4.612796
  N      -4.195661     -0.458055      4.642538
  C      -3.246967     -0.991323      5.435662
  C      -5.352819      0.263175      2.172198
  C      -7.920081     10.735914     -0.309996
  C      -7.308415      9.351823     -0.271198
  O      -7.206850      8.681434     -1.295053
  C      -6.832699      8.822210      1.043523
  C      -6.955415      9.550096      2.239613
  C      -6.511638      9.006737      3.439684
  C      -5.931195      7.739778      3.443957
  F      -5.552156      7.254586      4.645355
  C      -5.776071      6.979019      2.272326
  C      -5.182166      5.596168      2.193341
  O      -5.485970      4.869142      1.239513
  N      -4.296209      5.287890      3.210460
  C      -4.029421      4.004523      3.364157
  C      -6.252894      7.549134      1.087488
  C     -12.454772      1.292495      0.956726
  C     -11.659579      0.892879      2.181450
  O     -11.999415     -0.070191      2.863478
  C     -10.450054      1.695553      2.535937
  C      -9.988856      2.753112      1.732492
  C      -8.852348      3.470807      2.090752
  C      -8.174455      3.115582      3.253279
  F      -7.119177      3.873823      3.613765
  C      -8.579070      2.048316      4.069078
  C      -7.850011      1.636513      5.316896
  O      -8.471883      1.173667      6.277892
  N      -6.475698      1.772067      5.245030
  C      -5.846269      2.056078      6.360412
  C      -9.739226      1.366646      3.697335
  H      -6.703589      3.079240     -0.529046
  H      -5.190497      3.077026     -1.481754
  H      -6.367242      1.728210     -1.636818
  H      -7.844623      0.878743     -0.063813
  H      -9.016380     -0.727041      1.438977
  H      -3.253568     -2.026438      5.801822
  H      -4.308107      0.531106      2.343479
  H      -8.802134     10.792025      0.345982
  H      -7.202688     11.490396      0.047617
  H      -8.213787     10.968745     -1.338851
  H      -7.405412     10.543017      2.242888
  H      -6.613265      9.543696      4.383145
  H      -4.553718      3.235215      2.770925
  H      -6.162848      6.971825      0.166764
  H     -13.320002      0.628253      0.859587
  H     -11.835143      1.219349      0.049620
  H     -12.795262      2.336098      1.030638
  H     -10.518556      3.028191      0.820370
  H      -8.478826      4.302656      1.493430
  H      -6.406963      2.346526      7.267219
  H     -10.088524      0.543528      4.322581
  N      -2.014748      1.202301      3.260641
  N      -1.282445      0.992300      2.427855
88
Coordinates from ORCA-job orca E -6723.640330347786
  N      -2.332327     -0.073755      5.691917
  Mo     -3.282889      1.560065      4.816631
  N      -4.497141      2.078114      6.421242
  C      -3.884716      2.814270      7.528955
  C      -2.412538      2.456040      7.600213
  N      -1.770696      2.352205      6.237326
  C      -0.618529      1.392425      6.327910
  C      -1.151562     -0.030790      6.510879
  C      -1.275880      3.672586      5.721630
  C      -2.401696      4.474032      5.092759
  N      -3.156067      3.542154      4.259501
  H      -0.390941     -0.756143      6.179906
  H      -1.387559     -0.257747      7.563888
  H      -0.077031      1.460728      5.377119
  H       0.058778      1.688248      7.145591
  H      -3.062664      4.946927      5.835720
  H      -1.989185      5.289604      4.479847
  H      -0.771060      4.224220      6.530844
  H      -0.536516      3.439845      4.944084
  H      -4.358058      2.564634      8.494012
  H      -4.019070      3.898254      7.381697
  H      -2.315647      1.470520      8.070229
  H      -1.847299      3.178547      8.209464
  C      -5.937552      2.379797     -0.939396
  C      -5.214330      1.667142      0.175166
  O      -4.007833      1.808620      0.354977
  C      -6.005848      0.764118      1.070997
  C      -7.342009      0.409049      0.823293
  C      -8.003721     -0.475645      1.668410
  C      -7.335928     -0.993072      2.775180
  F      -8.021172     -1.811569      3.592998
  C      -6.007558     -0.647982      3.073602
  C      -5.256613     -1.243856      4.216233
  O      -5.487276     -2.365375      4.667951
  N      -4.199712     -0.460888      4.668998
  C      -3.243890     -0.991516      5.455780
  C      -5.369577      0.228752      2.193913
  C      -7.981471     10.712984     -0.268223
  C      -7.339451      9.342272     -0.248625
  O      -7.205958      8.696681     -1.284666
  C      -6.873072      8.795128      1.062268
  C      -7.034642      9.492647      2.271694
  C      -6.597379      8.933958      3.467070
  C      -5.984569      7.682407      3.453595
  F      -5.613027      7.180726      4.650560
  C      -5.790297      6.952153      2.268472
  C      -5.160996      5.586019      2.169988
  O      -5.428843      4.873091      1.195027
  N      -4.287174      5.276080      3.196393
  C      -4.015308      3.994004      3.347069
  C      -6.261797      7.536349      1.088391
  C     -12.400192      1.383122      0.896610
  C     -11.614090      0.974405      2.124222
  O     -11.961735      0.009238      2.799427
  C     -10.403764      1.770494      2.490216
  C      -9.927069      2.822907      1.689159
  C      -8.789268      3.533723      2.057419
  C      -8.126191      3.176191      3.227854
  F      -7.070740      3.928919      3.600219
  C      -8.546110      2.113280      4.041356
  C      -7.832600      1.698600      5.296898
  O      -8.467973      1.245941      6.253897
  N      -6.455965      1.817338      5.236763
  C      -5.832147      2.088998      6.358578
  C      -9.706915      1.438788      3.659243
  H      -6.725077      3.023866     -0.520650
  H      -5.224843      2.998814     -1.493137
  H      -6.416823      1.660242     -1.620874
  H      -7.874197      0.818829     -0.034871
  H      -9.041599     -0.760169      1.499835
  H      -3.250331     -2.024394      5.828213
  H      -4.323148      0.496023      2.354294
  H      -8.877316     10.733853      0.371054
  H      -7.288837     11.475005      0.120848
  H      -8.260486     10.962792     -1.297163
  H      -7.509805     10.473609      2.288954
  H      -6.728454      9.446962      4.420159
  H      -4.529265      3.223570      2.746948
  H      -6.140997      6.982424      0.156946
  H     -13.268963      0.724564      0.792436
  H     -11.776131      1.309089     -0.007392
  H     -12.734269      2.428625      0.972198
  H     -10.445397      3.099622      0.771085
  H      -8.403838      4.362120      1.462872
  H      -6.395489      2.386683      7.261339
  H     -10.068170      0.619080      4.282269
  N      -2.021032      1.187488      3.259757
  N      -1.293807      0.972125      2.423974
88
Coordinates from ORCA-job orca E -6723.640487157817
  N      -2.324399     -0.073215      5.694568
  Mo     -3.280159      1.558347      4.820520
  N      -4.487602      2.086849      6.426335
  C      -3.870566      2.811731      7.539184
  C      -2.398761      2.449754      7.600619
  N      -1.763765      2.353406      6.234074
  C      -0.607889      1.397308      6.315655
  C      -1.135192     -0.028048      6.501422
  C      -1.277492      3.677657      5.720168
  C      -2.408188      4.471743      5.090519
  N      -3.151753      3.536379      4.251009
  H      -0.375814     -0.750185      6.160665
  H      -1.358947     -0.258303      7.556325
  H      -0.073648      1.468353      5.361011
  H       0.074476      1.694340      7.128741
  H      -3.076008      4.935883      5.832877
  H      -2.000649      5.293133      4.482143
  H      -0.777418      4.232208      6.530318
  H      -0.535692      3.451117      4.943058
  H      -4.340285      2.552659      8.503534
  H      -4.003776      3.897358      7.403978
  H      -2.301943      1.460952      8.063607
  H      -1.828803      3.166669      8.212086
  C      -5.984802      2.326811     -0.927852
  C      -5.250385      1.617092      0.181385
  O      -4.041622      1.756453      0.346786
  C      -6.034104      0.720798      1.090637
  C      -7.370491      0.359283      0.854320
  C      -8.025373     -0.517320      1.713148
  C      -7.350439     -1.018485      2.823040
  F      -8.029746     -1.827008      3.655671
  C      -6.021056     -0.666910      3.109519
  C      -5.262187     -1.250248      4.252979
  O      -5.487808     -2.368474      4.715630
  N      -4.202685     -0.462706      4.691261
  C      -3.239851     -0.990313      5.471856
  C      -5.389813      0.200523      2.215995
  C      -8.017446     10.706427     -0.232564
  C      -7.355901      9.344870     -0.228598
  O      -7.200675      8.719234     -1.273822
  C      -6.895795      8.782558      1.078097
  C      -7.083777      9.455714      2.297330
  C      -6.650784      8.883815      3.487987
  C      -6.015751      7.643631      3.460087
  F      -5.649003      7.128194      4.652650
  C      -5.794974      6.937664      2.264927
  C      -5.141668      5.583741      2.150659
  O      -5.383641      4.883993      1.159683
  N      -4.278126      5.269118      3.183652
  C      -4.004705      3.987649      3.331416
  C      -6.263069      7.534172      1.089708
  C     -12.352703      1.439637      0.842877
  C     -11.569745      1.022854      2.069846
  O     -11.916200      0.050181      2.734948
  C     -10.364178      1.820216      2.447978
  C      -9.881486      2.873956      1.652318
  C      -8.746982      3.584968      2.030867
  C      -8.093930      3.225690      3.206517
  F      -7.043154      3.978846      3.591699
  C      -8.519989      2.161628      4.014969
  C      -7.817496      1.746851      5.276441
  O      -8.462441      1.300696      6.230108
  N      -6.439385      1.855698      5.226138
  C      -5.821521      2.117739      6.353899
  C      -9.676934      1.486957      3.622290
  H      -6.765193      2.975302     -0.502251
  H      -5.277125      2.940905     -1.493274
  H      -6.475370      1.605869     -1.599805
  H      -7.908178      0.757136     -0.006056
  H      -9.062770     -0.808332      1.552674
  H      -3.245425     -2.021299      5.849461
  H      -4.343390      0.472661      2.367364
  H      -8.923102     10.701931      0.393213
  H      -7.342342     11.471118      0.181337
  H      -8.284828     10.971336     -1.260788
  H      -7.576111     10.427899      2.325895
  H      -6.801772      9.377740      4.448159
  H      -4.510489      3.217364      2.724823
  H      -6.121411      6.999038      0.150348
  H     -13.219991      0.780387      0.730817
  H     -11.725633      1.373475     -0.059660
  H     -12.688492      2.484017      0.925338
  H     -10.392229      3.151632      0.730373
  H      -8.357206      4.415194      1.441675
  H      -6.388040      2.421372      7.252620
  H     -10.043315      0.666300      4.241118
  N      -2.027433      1.177621      3.257813
  N      -1.304383      0.958865      2.419341
88
Coordinates from ORCA-job orca E -6723.640638583685
  N      -2.317839     -0.070568      5.696047
  Mo     -3.280336      1.557881      4.822912
  N      -4.481668      2.094811      6.430063
  C      -3.860816      2.810980      7.546606
  C      -2.389026      2.446903      7.599290
  N      -1.759980      2.356792      6.229590
  C      -0.600274      1.404881      6.303729
  C      -1.121587     -0.022442      6.492356
  C      -1.281726      3.684288      5.716828
  C      -2.417040      4.471825      5.087649
  N      -3.153216      3.533479      4.244715
  H      -0.362960     -0.741500      6.143485
  H      -1.334659     -0.255229      7.548862
  H      -0.072279      1.478332      5.345816
  H       0.086188      1.703761      7.112729
  H      -3.089273      4.929265      5.830216
  H      -2.014449      5.297616      4.482027
  H      -0.785265      4.241443      6.527413
  H      -0.538373      3.463128      4.939615
  H      -4.326904      2.543950      8.510558
  H      -3.993795      3.897766      7.421199
  H      -2.291574      1.455595      8.056654
  H      -1.815320      3.159659      8.212112
  C      -6.044562      2.284251     -0.909303
  C      -5.295615      1.577494      0.192233
  O      -4.085841      1.721877      0.345152
  C      -6.066721      0.679532      1.110533
  C      -7.400184      0.302975      0.882032
  C      -8.043970     -0.571898      1.751064
  C      -7.360721     -1.054915      2.863839
  F      -8.030255     -1.859758      3.707915
  C      -6.033070     -0.689307      3.141348
  C      -5.264450     -1.259247      4.284614
  O      -5.481138     -2.375662      4.756170
  N      -4.205218     -0.464416      4.710198
  C      -3.235193     -0.988031      5.485180
  C      -5.412863      0.175414      2.237684
  C      -8.029816     10.716999     -0.202567
  C      -7.358930      9.360002     -0.210528
  O      -7.191914      8.748366     -1.262205
  C      -6.903371      8.785215      1.092331
  C      -7.106274      9.441232      2.318388
  C      -6.676607      8.858397      3.504934
  C      -6.029960      7.624528      3.466123
  F      -5.666468      7.098172      4.654908
  C      -5.794454      6.935430      2.263925
  C      -5.129108      5.588067      2.137925
  O      -5.355939      4.899049      1.136121
  N      -4.273021      5.267017      3.174536
  C      -4.001813      3.985445      3.320180
  C      -6.259680      7.542346      1.092981
  C     -12.309756      1.467769      0.793973
  C     -11.526408      1.044728      2.018598
  O     -11.865849      0.061695      2.672139
  C     -10.329308      1.848646      2.408915
  C      -9.846480      2.907149      1.619741
  C      -8.718221      3.622925      2.008341
  C      -8.072203      3.263186      3.187843
  F      -7.028736      4.020498      3.585043
  C      -8.498973      2.195342      3.990540
  C      -7.805006      1.782725      5.257213
  O      -8.457274      1.340732      6.207917
  N      -6.426108      1.886826      5.215944
  C      -5.814278      2.141843      6.349004
  C      -9.649246      1.515682      3.587548
  H      -6.822163      2.930416     -0.474677
  H      -5.345527      2.900279     -1.483211
  H      -6.541428      1.561884     -1.575051
  H      -7.944317      0.687431      0.019589
  H      -9.078534     -0.875983      1.596277
  H      -3.239028     -2.017496      5.866896
  H      -4.368508      0.458895      2.382194
  H      -8.942498     10.696587      0.412743
  H      -7.365372     11.480637      0.230085
  H      -8.287812     10.994588     -1.229820
  H      -7.607526     10.408555      2.355515
  H      -6.838725      9.338980      4.470033
  H      -4.502954      3.216083      2.709156
  H      -6.106434      7.020519      0.148020
  H     -13.172102      0.803494      0.673643
  H     -11.680390      1.414756     -0.107835
  H     -12.652836      2.508956      0.885845
  H     -10.351918      3.184720      0.694908
  H      -8.328816      4.457798      1.425456
  H      -6.384010      2.450697      7.243843
  H     -10.016462      0.691721      4.201494
  N      -2.037324      1.172609      3.253590
  N      -1.318471      0.952756      2.411792
88
Coordinates from ORCA-job orca E -6723.640807089013
  N      -2.308426     -0.067703      5.689434
  Mo     -3.280181      1.559821      4.825949
  N      -4.477176      2.094707      6.436413
  C      -3.854690      2.796515      7.561364
  C      -2.382159      2.433282      7.603247
  N      -1.758706      2.359052      6.230175
  C      -0.592843      1.413795      6.291318
  C      -1.104329     -0.018259      6.474305
  C      -1.292467      3.694253      5.726235
  C      -2.434541      4.474049      5.099131
  N      -3.156789      3.534292      4.245123
  H      -0.344976     -0.729726      6.111697
  H      -1.304841     -0.260974      7.530975
  H      -0.071346      1.496552      5.330658
  H       0.096862      1.711621      7.098003
  H      -3.115097      4.917153      5.842811
  H      -2.039271      5.309489      4.502061
  H      -0.803257      4.251637      6.541034
  H      -0.545379      3.485567      4.949110
  H      -4.316484      2.513899      8.522937
  H      -3.990198      3.884723      7.452910
  H      -2.281966      1.437024      8.049068
  H      -1.806486      3.139356      8.221972
  C      -6.105509      2.254892     -0.894840
  C      -5.343237      1.555343      0.202544
  O      -4.133514      1.709538      0.346012
  C      -6.100435      0.652650      1.127622
  C      -7.429813      0.258604      0.905413
  C      -8.060646     -0.618954      1.781508
  C      -7.368150     -1.086375      2.895183
  F      -8.025854     -1.892988      3.746750
  C      -6.043196     -0.704764      3.165059
  C      -5.263436     -1.265177      4.305113
  O      -5.471238     -2.381113      4.782297
  N      -4.203991     -0.465140      4.719774
  C      -3.225763     -0.986930      5.485504
  C      -5.436270      0.162213      2.254754
  C      -8.028590     10.723143     -0.199029
  C      -7.357464      9.366264     -0.208763
  O      -7.185458      8.758404     -1.261866
  C      -6.903606      8.788800      1.093521
  C      -7.112130      9.440118      2.320921
  C      -6.683184      8.855368      3.506816
  C      -6.031202      7.624317      3.465845
  F      -5.668252      7.096857      4.654184
  C      -5.789947      6.939854      2.262017
  C      -5.117567      5.595974      2.131950
  O      -5.330569      4.913998      1.122504
  N      -4.270988      5.269230      3.173942
  C      -3.999463      3.987927      3.315259
  C      -6.255078      7.548458      1.092001
  C     -12.272517      1.484945      0.755690
  C     -11.483654      1.049920      1.972630
  O     -11.807647      0.048276      2.605577
  C     -10.300771      1.865289      2.381233
  C      -9.827249      2.939752      1.608216
  C      -8.709742      3.664489      2.011609
  C      -8.065679      3.297048      3.189788
  F      -7.033324      4.060908      3.603992
  C      -8.484032      2.214708      3.977223
  C      -7.793522      1.798737      5.244405
  O      -8.448536      1.351276      6.190751
  N      -6.414491      1.905926      5.209773
  C      -5.808541      2.151059      6.348706
  C      -9.623367      1.525885      3.559691
  H      -6.886795      2.894168     -0.456368
  H      -5.415533      2.876263     -1.473788
  H      -6.600362      1.527583     -1.556758
  H      -7.980836      0.631293      0.042130
  H      -9.091295     -0.938478      1.630738
  H      -3.224846     -2.016631      5.866501
  H      -4.394674      0.458157      2.393880
  H      -8.944455     10.699873      0.411532
  H      -7.366718     11.485282      0.240212
  H      -8.281381     11.004711     -1.226468
  H      -7.617103     10.405457      2.359565
  H      -6.849394      9.332452      4.472917
  H      -4.492260      3.220750      2.695175
  H      -6.097296      7.029820      0.146124
  H     -13.125987      0.811624      0.622773
  H     -11.642173      1.456402     -0.146568
  H     -12.628946      2.519746      0.866140
  H     -10.331080      3.222667      0.684192
  H      -8.328315      4.512521      1.442408
  H      -6.382028      2.457970      7.241717
  H      -9.984423      0.690232      4.161376
  N      -2.043894      1.177951      3.250000
  N      -1.328166      0.961147      2.404792
88
Coordinates from ORCA-job orca E -6723.640968340791
  N      -2.301833     -0.063395      5.686866
  Mo     -3.283313      1.560726      4.826924
  N      -4.474864      2.099177      6.439853
  C      -3.849526      2.792373      7.568513
  C      -2.376473      2.429315      7.601592
  N      -1.758420      2.363560      6.225649
  C      -0.587753      1.424031      6.278628
  C      -1.091505     -0.010682      6.461764
  C      -1.301222      3.702956      5.725036
  C      -2.448448      4.476706      5.100811
  N      -3.165069      3.535178      4.243999
  H      -0.332127     -0.717686      6.090561
  H      -1.281725     -0.257585      7.519337
  H      -0.071919      1.511285      5.315303
  H       0.105028      1.723416      7.082115
  H      -3.131753      4.912545      5.846328
  H      -2.059144      5.316887      4.506606
  H      -0.815525      4.261543      6.541108
  H      -0.552979      3.501442      4.947084
  H      -4.307394      2.500797      8.529309
  H      -3.986141      3.881388      7.470148
  H      -2.274446      1.430388      8.040882
  H      -1.798195      3.131545      8.222250
  C      -6.165652      2.222725     -0.874162
  C      -5.389664      1.526958      0.216078
  O      -4.180629      1.692433      0.352106
  C      -6.132309      0.616478      1.145446
  C      -7.456348      0.202748      0.927969
  C      -8.073781     -0.677851      1.810813
  C      -7.372711     -1.128667      2.925857
  F      -8.018051     -1.937672      3.784606
  C      -6.051615     -0.729100      3.189532
  C      -5.260769     -1.276989      4.327769
  O      -5.456772     -2.392503      4.811156
  N      -4.204665     -0.467238      4.732553
  C      -3.218426     -0.984425      5.492091
  C      -5.458538      0.141055      2.273343
  C      -8.013489     10.748111     -0.184250
  C      -7.342946      9.390972     -0.199749
  O      -7.166205      8.790057     -1.256029
  C      -6.895472      8.804813      1.100847
  C      -7.110648      9.447697      2.331590
  C      -6.687214      8.855154      3.515594
  C      -6.034019      7.624932      3.469508
  F      -5.675968      7.089979      4.656039
  C      -5.786565      6.948639      2.262395
  C      -5.113261      5.605558      2.126946
  O      -5.320618      4.929974      1.112168
  N      -4.271884      5.272740      3.171055
  C      -4.004259      3.990870      3.310538
  C      -6.246327      7.564766      1.094236
  C     -12.240523      1.487384      0.719815
  C     -11.443074      1.044656      1.928338
  O     -11.747864      0.025313      2.542560
  C     -10.274934      1.873468      2.351272
  C      -9.811604      2.960345      1.589571
  C      -8.704493      3.694959      2.003736
  C      -8.061264      3.325063      3.181669
  F      -7.039544      4.097029      3.607474
  C      -8.470697      2.232402      3.959118
  C      -7.783635      1.817566      5.228380
  O      -8.441701      1.366794      6.171180
  N      -6.404828      1.928574      5.201268
  C      -5.804838      2.166428      6.345329
  C      -9.599462      1.533162      3.530633
  H      -6.948789      2.854493     -0.427865
  H      -5.485441      2.851108     -1.457099
  H      -6.660535      1.493418     -1.533755
  H      -8.013979      0.563020      0.063605
  H      -9.100502     -1.012453      1.664993
  H      -3.213985     -2.013636      5.874455
  H      -4.420933      0.452561      2.408026
  H      -8.935296     10.718953      0.417120
  H      -7.356326     11.506394      0.268371
  H      -8.256701     11.038742     -1.211477
  H      -7.616486     10.412406      2.374353
  H      -6.858447      9.325595      4.484089
  H      -4.494015      3.225176      2.686600
  H      -6.083617      7.052683      0.145580
  H     -13.083440      0.802986      0.576712
  H     -11.611235      1.483790     -0.183628
  H     -12.612765      2.514551      0.848079
  H     -10.314704      3.244548      0.665542
  H      -8.330904      4.552773      1.443946
  H      -6.381743      2.474195      7.235761
  H      -9.953859      0.688838      4.124028
  N      -2.057859      1.181060      3.242434
  N      -1.346757      0.967351      2.392508
88
Coordinates from ORCA-job orca E -6723.641132064711
  N      -2.293509     -0.060262      5.683155
  Mo     -3.285084      1.561107      4.828947
  N      -4.470879      2.101569      6.444859
  C      -3.842876      2.784413      7.578275
  C      -2.369189      2.421922      7.601560
  N      -1.757055      2.366690      6.222505
  C      -0.581182      1.433352      6.265562
  C      -1.076248     -0.004701      6.446988
  C      -1.310054      3.711238      5.726685
  C      -2.463137      4.478213      5.105276
  N      -3.171926      3.535017      4.243592
  H      -0.316861     -0.706073      6.065245
  H      -1.254917     -0.257620      7.505123
  H      -0.071582      1.526636      5.299491
  H       0.114846      1.733608      7.065939
  H      -3.150399      4.904637      5.852651
  H      -2.080553      5.324448      4.515420
  H      -0.828872      4.270741      6.544787
  H      -0.560144      3.518583      4.948044
  H      -4.296535      2.482071      8.537756
  H      -3.980899      3.874233      7.491870
  H      -2.264889      1.419825      8.032940
  H      -1.788317      3.119610      8.224914
  C      -6.229440      2.188634     -0.853152
  C      -5.439171      1.498650      0.230608
  O      -4.230863      1.675666      0.358059
  C      -6.166640      0.582091      1.165957
  C      -7.486147      0.150870      0.955805
  C      -8.089862     -0.731583      1.846451
  C      -7.378900     -1.167283      2.961113
  F      -8.011317     -1.978079      3.827745
  C      -6.060873     -0.751709      3.216267
  C      -5.257978     -1.287998      4.351375
  O      -5.443200     -2.402588      4.841355
  N      -4.203924     -0.469998      4.745163
  C      -3.209295     -0.983295      5.496932
  C      -5.482179      0.120830      2.293351
  C      -8.009926     10.760966     -0.173374
  C      -7.339563      9.403768     -0.192977
  O      -7.159779      8.807590     -1.251419
  C      -6.895132      8.812221      1.106204
  C      -7.115247      9.449017      2.339254
  C      -6.694352      8.851712      3.521757
  C      -6.038444      7.623067      3.471958
  F      -5.682725      7.083648      4.657162
  C      -5.785995      6.952874      2.262491
  C      -5.109616      5.611655      2.122626
  O      -5.310388      4.941490      1.103110
  N      -4.273060      5.274203      3.168961
  C      -4.006830      3.992183      3.306027
  C      -6.243624      7.573418      1.095855
  C     -12.198942      1.505347      0.675296
  C     -11.394548      1.050972      1.874825
  O     -11.680482      0.012341      2.465660
  C     -10.242465      1.891481      2.317450
  C      -9.788775      2.993726      1.572273
  C      -8.693435      3.736980      2.002105
  C      -8.052873      3.360311      3.179355
  F      -7.043241      4.139140      3.621622
  C      -8.453475      2.253680      3.941346
  C      -7.771299      1.834875      5.211917
  O      -8.433453      1.378140      6.149083
  N      -6.392664      1.949035      5.193879
  C      -5.799445      2.178006      6.343811
  C      -9.570660      1.545718      3.497406
  H      -7.015524      2.812022     -0.400076
  H      -5.559578      2.824206     -1.440270
  H      -6.722860      1.455941     -1.510003
  H      -8.051436      0.499917      0.091774
  H      -9.113603     -1.078534      1.707919
  H      -3.200501     -2.012279      5.879884
  H      -4.448169      0.446295      2.422178
  H      -8.935451     10.727803      0.422122
  H      -7.355922     11.516677      0.287931
  H      -8.247141     11.057637     -1.200274
  H      -7.623161     10.412500      2.384999
  H      -6.869484      9.317247      4.491932
  H      -4.492100      3.227700      2.677443
  H      -6.077326      7.065788      0.145377
  H     -13.031031      0.810858      0.518191
  H     -11.569706      1.529527     -0.227877
  H     -12.586834      2.523920      0.824001
  H     -10.289746      3.282713      0.648569
  H      -8.327319      4.606504      1.455568
  H      -6.380306      2.485023      7.231826
  H      -9.918899      0.690420      4.078523
  N      -2.070082      1.183904      3.235974
  N      -1.363659      0.973001      2.381443
88
Coordinates from ORCA-job orca E -6723.641283797068
  N      -2.285922     -0.057289      5.679680
  Mo     -3.287376      1.561219      4.830781
  N      -4.466993      2.104011      6.449794
  C      -3.836073      2.777362      7.587176
  C      -2.361804      2.415412      7.600804
  N      -1.755738      2.369640      6.218674
  C      -0.575069      1.442184      6.252258
  C      -1.061947      0.001128      6.432531
  C      -1.318381      3.718790      5.726953
  C      -2.477079      4.479386      5.108620
  N      -3.179252      3.534662      4.243031
  H      -0.302880     -0.695059      6.040768
  H      -1.229311     -0.257105      7.491202
  H      -0.071641      1.540851      5.283485
  H       0.124243      1.743474      7.049405
  H      -3.167424      4.897248      5.858030
  H      -2.101055      5.331028      4.522447
  H      -0.841034      4.279194      6.546672
  H      -0.567311      3.534252      4.947419
  H      -4.285483      2.465245      8.545539
  H      -3.975305      3.867815      7.511708
  H      -2.255286      1.410516      8.024977
  H      -1.778199      3.108984      8.226202
  C      -6.294165      2.155159     -0.829901
  C      -5.489396      1.470961      0.246950
  O      -4.282137      1.660300      0.366184
  C      -6.201118      0.547306      1.187357
  C      -7.515186      0.097236      0.983500
  C      -8.104926     -0.787527      1.881376
  C      -7.384651     -1.207377      2.996014
  F      -8.003871     -2.020590      3.869868
  C      -6.070425     -0.774764      3.243475
  C      -5.255690     -1.299129      4.375501
  O      -5.429963     -2.412688      4.872031
  N      -4.203729     -0.472950      4.758125
  C      -3.200844     -0.982276      5.502201
  C      -5.506450      0.100740      2.314469
  C      -8.008457     10.772862     -0.162295
  C      -7.338625      9.415436     -0.185757
  O      -7.157366      8.823062     -1.246074
  C      -6.895961      8.819319      1.111922
  C      -7.119530      9.450943      2.347020
  C      -6.700208      8.849539      3.527992
  C      -6.042133      7.622191      3.474695
  F      -5.687992      7.078900      4.658588
  C      -5.786107      6.957211      2.263101
  C      -5.107516      5.617427      2.119087
  O      -5.303484      4.951957      1.095722
  N      -4.274703      5.275684      3.166863
  C      -4.010327      3.993445      3.301820
  C      -6.242519      7.581544      1.098039
  C     -12.154758      1.525554      0.628751
  C     -11.344530      1.059922      1.819966
  O     -11.612983      0.003818      2.387897
  C     -10.208150      1.910530      2.282648
  C      -9.763314      3.027571      1.554399
  C      -8.680071      3.778777      2.000831
  C      -8.043082      3.394979      3.177720
  F      -7.045864      4.180002      3.637272
  C      -8.435423      2.274618      3.923658
  C      -7.758941      1.851346      5.195787
  O      -8.425684      1.388892      6.126987
  N      -6.380529      1.968159      5.187201
  C      -5.794114      2.189104      6.342716
  C      -9.540876      1.558818      3.463515
  H      -7.083713      2.769028     -0.369662
  H      -5.635154      2.798888     -1.420414
  H      -6.785256      1.419206     -1.484780
  H      -8.087746      0.434506      0.119541
  H      -9.125130     -1.147548      1.749421
  H      -3.187595     -2.010935      5.885933
  H      -4.476585      0.440933      2.438087
  H      -8.936867     10.736510      0.428584
  H      -7.356802     11.526168      0.306113
  H      -8.240998     11.074760     -1.188737
  H      -7.629143     10.413393      2.395578
  H      -6.878139      9.310877      4.499667
  H      -4.492162      3.230242      2.669371
  H      -6.073777      7.077671      0.145935
  H     -12.976356      0.822038      0.457298
  H     -11.525308      1.576392     -0.273173
  H     -12.557420      2.535337      0.796786
  H     -10.261543      3.321698      0.630835
  H      -8.320975      4.659654      1.467967
  H      -6.378811      2.495699      7.228250
  H      -9.883672      0.693034      4.032103
  N      -2.083270      1.185908      3.229273
  N      -1.381787      0.977398      2.370079
88
Coordinates from ORCA-job orca E -6723.641447877727
  N      -2.277105     -0.053638      5.671693
  Mo     -3.291230      1.562191      4.832343
  N      -4.464691      2.100885      6.456476
  C      -3.831596      2.763106      7.598968
  C      -2.356212      2.404335      7.601468
  N      -1.756586      2.372472      6.216110
  C      -0.569773      1.452808      6.237564
  C      -1.046099      0.007562      6.412858
  C      -1.331196      3.728158      5.731979
  C      -2.496838      4.481997      5.118955
  N      -3.191290      3.536857      4.247395
  H      -0.286699     -0.681101      6.008627
  H      -1.201063     -0.259112      7.471295
  H      -0.072765      1.560123      5.266378
  H       0.132390      1.754210      7.032177
  H      -3.190455      4.888194      5.871783
  H      -2.129154      5.341018      4.538416
  H      -0.858564      4.287978      6.554805
  H      -0.578803      3.555151      4.951034
  H      -4.275765      2.438237      8.555543
  H      -3.973969      3.853986      7.536895
  H      -2.245642      1.395851      8.015876
  H      -1.770879      3.093267      8.230380
  C      -6.354340      2.130118     -0.807056
  C      -5.537374      1.454182      0.265970
  O      -4.332715      1.661095      0.382476
  C      -6.232783      0.518736      1.206850
  C      -7.538434      0.044588      1.004133
  C      -8.112955     -0.847296      1.905138
  C      -7.385023     -1.251363      3.020512
  F      -7.989671     -2.072735      3.896871
  C      -6.077181     -0.797318      3.264988
  C      -5.250443     -1.311129      4.393079
  O      -5.412672     -2.424708      4.893875
  N      -4.201488     -0.476569      4.766197
  C      -3.189263     -0.981978      5.500802
  C      -5.529521      0.086391      2.334231
  C      -7.994136     10.786570     -0.168519
  C      -7.330986      9.425806     -0.189424
  O      -7.152623      8.830588     -1.248643
  C      -6.890416      8.830354      1.109262
  C      -7.112081      9.464766      2.343285
  C      -6.694691      8.864035      3.525287
  C      -6.040178      7.634662      3.474128
  F      -5.687792      7.092528      4.659020
  C      -5.786092      6.966930      2.263634
  C      -5.111036      5.625141      2.121138
  O      -5.306724      4.960120      1.097450
  N      -4.281290      5.280680      3.170449
  C      -4.018581      3.998215      3.303050
  C      -6.240678      7.590607      1.097525
  C     -12.118574      1.540942      0.592883
  C     -11.298974      1.061253      1.771977
  O     -11.545981     -0.014431      2.312573
  C     -10.179983      1.922063      2.256776
  C      -9.749759      3.059139      1.551093
  C      -8.680738      3.819265      2.016379
  C      -8.043477      3.423961      3.189237
  F      -7.060096      4.215311      3.667866
  C      -8.422032      2.284809      3.913614
  C      -7.748205      1.853756      5.184531
  O      -8.416880      1.380116      6.108847
  N      -6.370575      1.978034      5.184256
  C      -5.790642      2.190042      6.345312
  C      -9.513872      1.560241      3.435375
  H      -7.152715      2.730049     -0.343535
  H      -5.706101      2.785592     -1.396617
  H      -6.835736      1.389307     -1.463618
  H      -8.116993      0.369808      0.139475
  H      -9.127672     -1.223868      1.775874
  H      -3.168804     -2.011247      5.882601
  H      -4.505551      0.444425      2.456311
  H      -8.924195     10.754940      0.420085
  H      -7.340214     11.537160      0.300985
  H      -8.222928     11.088780     -1.195714
  H      -7.618838     10.428812      2.390190
  H      -6.871331      9.327463      4.496204
  H      -4.496801      3.237096      2.665577
  H      -6.073384      7.084306      0.146383
  H     -12.928153      0.827687      0.405310
  H     -11.491086      1.623730     -0.308054
  H     -12.537937      2.539534      0.785050
  H     -10.248245      3.361867      0.630440
  H      -8.333106      4.715358      1.501430
  H      -6.379361      2.491884      7.229686
  H      -9.847461      0.680413      3.987453
  N      -2.097672      1.193978      3.221459
  N      -1.401108      0.990685      2.357010
88
Coordinates from ORCA-job orca E -6723.641642124097
  N      -2.265569     -0.049598      5.660111
  Mo     -3.295642      1.563336      4.834130
  N      -4.463223      2.091161      6.465274
  C      -3.829015      2.740680      7.614018
  C      -2.351910      2.388203      7.604217
  N      -1.758971      2.374972      6.215658
  C      -0.564435      1.465508      6.222566
  C      -1.027366      0.014833      6.388950
  C      -1.348230      3.739174      5.742827
  C      -2.522221      4.485475      5.137098
  N      -3.207609      3.540859      4.257669
  H      -0.266781     -0.663665      5.970011
  H      -1.168786     -0.263357      7.446296
  H      -0.074047      1.584891      5.249383
  H       0.139938      1.766361      7.015438
  H      -3.219275      4.876710      5.894700
  H      -2.164839      5.353789      4.564150
  H      -0.881536      4.296951      6.570385
  H      -0.594195      3.581382      4.960202
  H      -4.267086      2.400154      8.567963
  H      -3.976594      3.831671      7.567674
  H      -2.235259      1.375411      8.006122
  H      -1.766067      3.072067      8.238174
  C      -6.406606      2.110553     -0.786652
  C      -5.580301      1.446170      0.286576
  O      -4.380008      1.675820      0.406217
  C      -6.259335      0.495787      1.224333
  C      -7.554333     -0.005309      1.018822
  C      -8.112572     -0.908531      1.919091
  C      -7.378220     -1.298701      3.035065
  F      -7.967182     -2.133313      3.909526
  C      -6.078845     -0.820604      3.280548
  C      -5.239845     -1.325431      4.403843
  O      -5.389251     -2.439885      4.906843
  N      -4.195208     -0.481941      4.769572
  C      -3.172617     -0.982997      5.493213
  C      -5.548827      0.075890      2.351976
  C      -7.973085     10.795896     -0.192272
  C      -7.321160      9.429602     -0.204338
  O      -7.149280      8.825366     -1.259529
  C      -6.882851      8.840239      1.097860
  C      -7.098124      9.484998      2.327720
  C      -6.682672      8.889974      3.513272
  C      -6.036206      7.656012      3.469894
  F      -5.685033      7.120270      4.657968
  C      -5.788701      6.978014      2.263781
  C      -5.121646      5.631557      2.128820
  O      -5.321678      4.962005      1.108896
  N      -4.293477      5.287363      3.179767
  C      -4.030732      4.004856      3.310155
  C      -6.241264      7.596238      1.093952
  C     -12.091470      1.564059      0.567021
  C     -11.260657      1.066098      1.730455
  O     -11.485336     -0.029999      2.239227
  C     -10.158428      1.934137      2.239457
  C      -9.746456      3.095256      1.562562
  C      -8.691853      3.862211      2.048909
  C      -8.050926      3.449765      3.213681
  F      -7.081684      4.245878      3.713221
  C      -8.412018      2.287726      3.910358
  C      -7.737989      1.842820      5.176493
  O      -8.406344      1.351236      6.091798
  N      -6.361665      1.978514      5.184395
  C      -5.788399      2.179389      6.351443
  C      -9.490114      1.556309      3.411925
  H      -7.218491      2.693398     -0.324705
  H      -5.768682      2.779996     -1.371845
  H      -6.871505      1.363043     -1.447452
  H      -8.137785      0.308498      0.153147
  H      -9.120534     -1.303004      1.789705
  H      -3.141841     -2.013823      5.870139
  H      -4.532193      0.453669      2.475591
  H      -8.903668     10.775685      0.396026
  H      -7.313326     11.544110      0.272710
  H      -8.199145     11.093435     -1.221452
  H      -7.598509     10.452651      2.368549
  H      -6.854590      9.361409      4.481187
  H      -4.504201      3.245756      2.666813
  H      -6.078761      7.081660      0.146330
  H     -12.889415      0.842694      0.361550
  H     -11.467816      1.681859     -0.332703
  H     -12.526663      2.549931      0.787444
  H     -10.247974      3.411294      0.648018
  H      -8.358107      4.775995      1.556184
  H      -6.381786      2.471383      7.235852
  H      -9.812088      0.659532      3.942981
  N      -2.112013      1.207848      3.213261
  N      -1.420119      1.012535      2.343217
88
Coordinates from ORCA-job orca E -6723.641803916296
  N      -2.254775     -0.047343      5.650970
  Mo     -3.299432      1.562805      4.836675
  N      -4.459522      2.083520      6.474597
  C      -3.822982      2.721301      7.628138
  C      -2.344585      2.373503      7.605967
  N      -1.759238      2.376032      6.214024
  C      -0.558200      1.475510      6.207212
  C      -1.009267      0.020273      6.366884
  C      -1.361809      3.747310      5.750230
  C      -2.543503      4.486473      5.151117
  N      -3.221513      3.542007      4.265765
  H      -0.248539     -0.649394      5.934192
  H      -1.137001     -0.267502      7.423390
  H      -0.074884      1.604968      5.231737
  H       0.149106      1.776195      6.997537
  H      -3.242946      4.864577      5.913207
  H      -2.195688      5.362605      4.584361
  H      -0.899939      4.303722      6.581375
  H      -0.606848      3.602539      4.965956
  H      -4.255033      2.367321      8.579940
  H      -3.974323      3.812330      7.595866
  H      -2.222859      1.356993      7.996629
  H      -1.756982      3.052532      8.243477
  C      -6.464601      2.087524     -0.761900
  C      -5.627330      1.432895      0.308873
  O      -4.430793      1.681907      0.427890
  C      -6.289712      0.470554      1.246189
  C      -7.575871     -0.053177      1.041955
  C      -8.117532     -0.965789      1.943069
  C      -7.375135     -1.343501      3.057850
  F      -7.948374     -2.188687      3.932570
  C      -6.082865     -0.844724      3.300973
  C      -5.231284     -1.340087      4.419253
  O      -5.368770     -2.454496      4.925849
  N      -4.190239     -0.488150      4.776427
  C      -3.157753     -0.984937      5.489360
  C      -5.570289      0.061752      2.372363
  C      -7.970803     10.793707     -0.209136
  C      -7.325711      9.424129     -0.214598
  O      -7.160497      8.812268     -1.266455
  C      -6.885988      8.841010      1.089902
  C      -7.095232      9.494228      2.316460
  C      -6.678497      8.904960      3.504400
  C      -6.036543      7.668420      3.466848
  F      -5.683591      7.138797      4.657077
  C      -5.795152      6.982109      2.264241
  C      -5.133643      5.632497      2.135150
  O      -5.339746      4.958011      1.119838
  N      -4.304389      5.289976      3.186157
  C      -4.040717      4.007552      3.315110
  C      -6.248861      7.594738      1.091843
  C     -12.045720      1.602813      0.523587
  C     -11.211013      1.087740      1.676605
  O     -11.418193     -0.025979      2.153901
  C     -10.126393      1.960441      2.214109
  C      -9.728151      3.143520      1.567563
  C      -8.688482      3.914404      2.078887
  C      -8.049163      3.484349      3.237997
  F      -7.095723      4.283577      3.762565
  C      -8.396722      2.301000      3.905105
  C      -7.725370      1.839147      5.166747
  O      -8.395462      1.329670      6.071030
  N      -6.350179      1.983064      5.184836
  C      -5.783915      2.172374      6.357882
  C      -9.460559      1.565588      3.382538
  H      -7.285897      2.656214     -0.298752
  H      -5.837339      2.768428     -1.345489
  H      -6.918025      1.334733     -1.424607
  H      -8.165516      0.250433      0.176775
  H      -9.119941     -1.375068      1.816494
  H      -3.117803     -2.016864      5.862490
  H      -4.560094      0.456672      2.494716
  H      -8.900733     10.781411      0.380413
  H      -7.306845     11.541256      0.250762
  H      -8.196981     11.086606     -1.239642
  H      -7.592251     10.463795      2.352835
  H      -6.846023      9.382831      4.469950
  H      -4.509812      3.249370      2.667534
  H      -6.091087      7.073328      0.147051
  H     -12.832087      0.875126      0.296990
  H     -11.421198      1.752575     -0.370786
  H     -12.496022      2.576261      0.767575
  H     -10.228602      3.473280      0.657249
  H      -8.364924      4.844031      1.609511
  H      -6.381838      2.455867      7.241857
  H      -9.773434      0.652580      3.890623
  N      -2.127333      1.216600      3.205643
  N      -1.440819      1.026882      2.330087
88
Coordinates from ORCA-job orca E -6723.641951695561
  N      -2.243280     -0.044970      5.643704
  Mo     -3.301814      1.561869      4.839046
  N      -4.455800      2.075974      6.482591
  C      -3.818315      2.702194      7.641265
  C      -2.338721      2.359315      7.608302
  N      -1.759641      2.377334      6.213769
  C      -0.552072      1.486156      6.194800
  C      -0.991110      0.026378      6.347458
  C      -1.375372      3.755519      5.759331
  C      -2.564181      4.486854      5.164950
  N      -3.233028      3.542242      4.272752
  H      -0.229987     -0.634238      5.901707
  H      -1.105714     -0.270721      7.402875
  H      -0.074841      1.625517      5.217640
  H       0.157208      1.787069      6.983268
  H      -3.267084      4.851439      5.930462
  H      -2.225620      5.370774      4.604881
  H      -0.919703      4.310814      6.594599
  H      -0.618453      3.623843      4.974631
  H      -4.245237      2.334942      8.590349
  H      -3.973458      3.793080      7.622697
  H      -2.212275      1.339235      7.987764
  H      -1.749942      3.033616      8.249729
  C      -6.517047      2.057552     -0.739985
  C      -5.669416      1.413342      0.328926
  O      -4.476281      1.679327      0.445932
  C      -6.316268      0.442121      1.267565
  C      -7.594925     -0.100680      1.066566
  C      -8.121136     -1.020510      1.969563
  C      -7.370623     -1.387081      3.082443
  F      -7.928923     -2.241337      3.958035
  C      -6.084680     -0.870060      3.322058
  C      -5.221233     -1.355305      4.435818
  O      -5.347575     -2.468919      4.947082
  N      -4.183579     -0.495042      4.783779
  C      -3.141796     -0.987044      5.486780
  C      -5.588317      0.044073      2.392187
  C      -7.984387     10.782836     -0.221603
  C      -7.340951      9.412475     -0.222686
  O      -7.183002      8.794010     -1.271786
  C      -6.894081      8.836850      1.082681
  C      -7.096608      9.497276      2.306642
  C      -6.673940      8.914528      3.495632
  C      -6.032803      7.677406      3.461987
  F      -5.674248      7.154477      4.653385
  C      -5.797939      6.984098      2.262098
  C      -5.139528      5.632768      2.137047
  O      -5.350779      4.954412      1.125534
  N      -4.309690      5.291434      3.188468
  C      -4.045162      4.008950      3.316313
  C      -6.257170      7.590513      1.088459
  C     -12.001146      1.658725      0.477886
  C     -11.166200      1.124536      1.621848
  O     -11.361592     -0.004028      2.068629
  C     -10.095975      1.996568      2.188071
  C      -9.708057      3.199770      1.573006
  C      -8.681136      3.970031      2.109881
  C      -8.044566      3.519675      3.262562
  F      -7.104712      4.317948      3.812495
  C      -8.381302      2.316281      3.898568
  C      -7.712398      1.833898      5.154164
  O      -8.384255      1.305437      6.046162
  N      -6.338170      1.984875      5.182932
  C      -5.779587      2.163664      6.362028
  C      -9.433515      1.581747      3.351713
  H      -7.346266      2.614014     -0.276026
  H      -5.899724      2.747704     -1.323405
  H      -6.960535      1.299334     -1.403186
  H      -8.191214      0.194184      0.202850
  H      -9.119427     -1.440914      1.847459
  H      -3.092602     -2.019799      5.856607
  H      -4.583781      0.453668      2.512259
  H      -8.911553     10.775115      0.372326
  H      -7.317403     11.532124      0.230894
  H      -8.215298     11.070283     -1.252621
  H      -7.593407     10.467068      2.340159
  H      -6.836481      9.397799      4.459378
  H      -4.507967      3.251486      2.663372
  H      -6.104745      7.063292      0.145924
  H     -12.778966      0.928760      0.230236
  H     -11.374361      1.835953     -0.409872
  H     -12.462262      2.621500      0.743080
  H     -10.206708      3.545456      0.667579
  H      -8.364951      4.913783      1.664398
  H      -6.383030      2.437958      7.244990
  H      -9.740121      0.654071      3.836097
  N      -2.139281      1.223376      3.199671
  N      -1.457115      1.037773      2.319826
88
Coordinates from ORCA-job orca E -6723.642115842375
  N      -2.230697     -0.042755      5.634285
  Mo     -3.304301      1.561436      4.842233
  N      -4.452480      2.063601      6.492907
  C      -3.815280      2.675239      7.658330
  C      -2.334413      2.338717      7.614222
  N      -1.761153      2.377072      6.217674
  C      -0.546348      1.496763      6.184686
  C      -0.971777      0.031572      6.325475
  C      -1.391448      3.763830      5.777236
  C      -2.587685      4.487183      5.187914
  N      -3.244921      3.543978      4.285599
  H      -0.209973     -0.617542      5.864228
  H      -1.072378     -0.278285      7.378648
  H      -0.074693      1.649432      5.206743
  H       0.163958      1.796404      6.972707
  H      -3.295127      4.834763      5.957138
  H      -2.259336      5.380698      4.637286
  H      -0.944050      4.316019      6.618952
  H      -0.631371      3.648667      4.993027
  H      -4.237128      2.291962      8.603340
  H      -3.975096      3.765747      7.656272
  H      -2.202630      1.314008      7.978817
  H      -1.745200      3.006672      8.261856
  C      -6.558971      2.029752     -0.725729
  C      -5.704098      1.401068      0.346646
  O      -4.515979      1.687911      0.466302
  C      -6.336430      0.420379      1.284655
  C      -7.608490     -0.138364      1.085953
  C      -8.120099     -1.067122      1.988111
  C      -7.361858     -1.427467      3.097602
  F      -7.905458     -2.294227      3.970183
  C      -6.082356     -0.893742      3.336042
  C      -5.208163     -1.370883      4.445219
  O      -5.324787     -2.483848      4.960134
  N      -4.174019     -0.503010      4.785967
  C      -3.122944     -0.990479      5.478179
  C      -5.601159      0.029610      2.407165
  C      -8.009450     10.756430     -0.247184
  C      -7.364170      9.386992     -0.239553
  O      -7.217179      8.756570     -1.283106
  C      -6.904490      8.826121      1.067754
  C      -7.096360      9.499841      2.286364
  C      -6.662675      8.930089      3.477576
  C      -6.021552      7.692673      3.451910
  F      -5.652525      7.183218      4.645729
  C      -5.796952      6.986430      2.257493
  C      -5.142050      5.632910      2.140428
  O      -5.360113      4.947683      1.135131
  N      -4.311686      5.294891      3.193352
  C      -4.045557      4.012258      3.320651
  C      -6.266494      7.580497      1.081362
  C     -11.960098      1.727467      0.438139
  C     -11.130795      1.173009      1.576373
  O     -11.321150      0.032450      1.994331
  C     -10.072314      2.039608      2.172084
  C      -9.693385      3.263091      1.591989
  C      -8.678278      4.028987      2.156185
  C      -8.043670      3.554063      3.299756
  F      -7.115395      4.347485      3.875441
  C      -8.369722      2.329825      3.900300
  C      -7.700055      1.820026      5.145015
  O      -8.371235      1.266642      6.022230
  N      -6.326924      1.979517      5.183763
  C      -5.776099      2.145316      6.369199
  C      -9.412632      1.600700      3.328605
  H      -7.401795      2.569788     -0.267028
  H      -5.951544      2.731516     -1.305839
  H      -6.984039      1.263379     -1.391575
  H      -8.211657      0.151434      0.225220
  H      -9.115095     -1.495809      1.869086
  H      -3.062470     -2.025022      5.841407
  H      -4.601924      0.451977      2.526450
  H      -8.930399     10.755150      0.356303
  H      -7.338478     11.511459      0.189472
  H      -8.251522     11.031912     -1.278953
  H      -7.593704     10.469556      2.313908
  H      -6.816957      9.423534      4.437562
  H      -4.499049      3.255678      2.659967
  H      -6.122267      7.042820      0.143360
  H     -12.732732      0.999385      0.169694
  H     -11.327856      1.925401     -0.441364
  H     -12.427384      2.682527      0.719880
  H     -10.190573      3.627971      0.693243
  H      -8.368579      4.986658      1.736600
  H      -6.386082      2.404258      7.252103
  H      -9.713716      0.658263      3.786671
  N      -2.149769      1.234326      3.194923
  N      -1.471392      1.054112      2.311016
88
Coordinates from ORCA-job orca E -6723.640481808559
  N      -2.220437     -0.042023      5.602962
  Mo     -3.316112      1.563144      4.837918
  N      -4.447184      2.043282      6.505672
  C      -3.807784      2.631673      7.679031
  C      -2.326220      2.300858      7.614268
  N      -1.763371      2.369129      6.214479
  C      -0.541084      1.501866      6.156869
  C      -0.949921      0.029891      6.272242
  C      -1.409462      3.767331      5.798537
  C      -2.613815      4.485985      5.221817
  N      -3.261973      3.551754      4.304071
  H      -0.190609     -0.600955      5.782374
  H      -1.027723     -0.304390      7.319889
  H      -0.077222      1.677629      5.178944
  H       0.171694      1.793991      6.945447
  H      -3.323306      4.809351      5.999592
  H      -2.298214      5.393283      4.686918
  H      -0.970436      4.309813      6.650812
  H      -0.646718      3.675596      5.013913
  H      -4.220028      2.224678      8.618351
  H      -3.972603      3.721472      7.702121
  H      -2.189392      1.268637      7.954522
  H      -1.732681      2.956481      8.270495
  C      -6.757831      2.154042     -0.570853
  C      -5.869774      1.520000      0.470947
  O      -4.691892      1.847881      0.588534
  C      -6.455861      0.489878      1.384234
  C      -7.720316     -0.089363      1.196760
  C      -8.190198     -1.058853      2.078446
  C      -7.395889     -1.444691      3.153584
  F      -7.896920     -2.358704      4.002968
  C      -6.121348     -0.892477      3.380074
  C      -5.208470     -1.382975      4.452463
  O      -5.310221     -2.499318      4.963285
  N      -4.171509     -0.511102      4.777028
  C      -3.103121     -0.996953      5.444268
  C      -5.685427      0.075169      2.474117
  C      -7.999814     10.749542     -0.298527
  C      -7.362740      9.376617     -0.272115
  O      -7.262063      8.711761     -1.299672
  C      -6.874456      8.845798      1.037303
  C      -7.024847      9.555103      2.241784
  C      -6.567254      9.011334      3.436028
  C      -5.945143      7.763769      3.428312
  F      -5.552076      7.282735      4.625776
  C      -5.761664      7.022189      2.248125
  C      -5.134227      5.654619      2.149537
  O      -5.383027      4.953926      1.161607
  N      -4.299681      5.317161      3.201800
  C      -4.042556      4.031780      3.328557
  C      -6.252462      7.592578      1.068463
  C     -11.813629      1.632241      0.308013
  C     -11.006787      1.086539      1.466130
  O     -11.175694     -0.066168      1.860209
  C      -9.990881      1.972783      2.104718
  C      -9.638258      3.220586      1.559869
  C      -8.665705      4.007811      2.167026
  C      -8.042751      3.528629      3.314561
  F      -7.152053      4.338224      3.925601
  C      -8.339722      2.280531      3.879366
  C      -7.674823      1.764550      5.124206
  O      -8.342909      1.171754      5.977604
  N      -6.305629      1.949179      5.183303
  C      -5.770631      2.106506      6.378299
  C      -9.346642      1.531914      3.269237
  H      -7.622492      2.636878     -0.090348
  H      -6.183239      2.903105     -1.125121
  H      -7.151863      1.396838     -1.265652
  H      -8.354114      0.221237      0.365639
  H      -9.184814     -1.492049      1.973575
  H      -3.025999     -2.036083      5.791185
  H      -4.693745      0.516417      2.587144
  H      -8.899742     10.774790      0.335158
  H      -7.308902     11.511791      0.091655
  H      -8.275092     10.996205     -1.329375
  H      -7.508543     10.532037      2.255799
  H      -6.689245      9.532535      4.386026
  H      -4.491222      3.281997      2.656097
  H      -6.140020      7.027531      0.142178
  H     -12.559616      0.888529      0.009001
  H     -11.159045      1.852188     -0.549786
  H     -12.312125      2.573480      0.582602
  H     -10.124890      3.587594      0.655977
  H      -8.376133      4.981442      1.770662
  H      -6.393960      2.336533      7.259491
  H      -9.630148      0.572806      3.701951
  N      -2.180897      1.254922      3.173542
  N      -1.512982      1.084096      2.279809
88
Coordinates from ORCA-job orca E -6723.642273097971
  N      -2.229160     -0.041516      5.618141
  Mo     -3.332133      1.558642      4.847469
  N      -4.459038      2.039662      6.518742
  C      -3.819481      2.633870      7.687734
  C      -2.337722      2.306141      7.621975
  N      -1.776820      2.371010      6.221380
  C      -0.553101      1.506565      6.166700
  C      -0.958710      0.034504      6.286095
  C      -1.424991      3.768187      5.801430
  C      -2.629709      4.484029      5.222983
  N      -3.278521      3.546827      4.309645
  H      -0.198316     -0.595871      5.797232
  H      -1.035215     -0.297208      7.334726
  H      -0.088898      1.680744      5.188613
  H       0.158469      1.802636      6.954858
  H      -3.338484      4.809283      6.000533
  H      -2.314879      5.389510      4.684586
  H      -0.986776      4.313716      6.652169
  H      -0.661930      3.674814      5.017415
  H      -4.229367      2.230460      8.629654
  H      -3.986564      3.723589      7.705997
  H      -2.198444      1.274886      7.964014
  H      -1.744218      2.965060      8.274873
  C      -6.572084      2.083393     -0.667289
  C      -5.721357      1.466778      0.414881
  O      -4.552125      1.806123      0.577569
  C      -6.338841      0.445361      1.316217
  C      -7.596830     -0.133505      1.088904
  C      -8.100238     -1.092748      1.962296
  C      -7.344957     -1.472540      3.067646
  F      -7.876303     -2.381374      3.903900
  C      -6.078792     -0.919319      3.335968
  C      -5.203473     -1.396761      4.445457
  O      -5.315628     -2.509916      4.960985
  N      -4.173303     -0.521675      4.784434
  C      -3.105955     -1.001002      5.458343
  C      -5.609461      0.039696      2.437062
  C      -8.057400     10.711443     -0.308678
  C      -7.406826      9.344979     -0.282433
  O      -7.323155      8.670519     -1.305212
  C      -6.903004      8.823903      1.024970
  C      -7.043533      9.539970      2.226847
  C      -6.573252      9.003890      3.419523
  C      -5.949298      7.757155      3.413410
  F      -5.543931      7.284009      4.609884
  C      -5.774962      7.009039      2.235878
  C      -5.150288      5.639958      2.141294
  O      -5.408405      4.933545      1.159627
  N      -4.312404      5.307370      3.194302
  C      -4.054199      4.021994      3.329418
  C      -6.277383      7.572484      1.057412
  C     -11.919317      1.772446      0.411292
  C     -11.127953      1.207509      1.570831
  O     -11.344090      0.068443      1.981132
  C     -10.063254      2.053078      2.184354
  C      -9.668960      3.282950      1.627068
  C      -8.656453      4.033105      2.214799
  C      -8.033821      3.535022      3.354150
  F      -7.103914      4.312279      3.947711
  C      -8.366918      2.300137      3.925802
  C      -7.694824      1.758779      5.155249
  O      -8.362660      1.179364      6.017677
  N      -6.323633      1.931381      5.204337
  C      -5.783579      2.093422      6.395980
  C      -9.414389      1.590437      3.337515
  H      -7.461341      2.559489     -0.227211
  H      -5.982939      2.834503     -1.203415
  H      -6.928660      1.316422     -1.371569
  H      -8.201105      0.171509      0.234207
  H      -9.094360     -1.517705      1.827175
  H      -3.023105     -2.040339      5.803665
  H      -4.622215      0.481470      2.582201
  H      -8.946400     10.734694      0.340130
  H      -7.366455     11.482789      0.062830
  H      -8.352698     10.947032     -1.336649
  H      -7.530024     10.515533      2.240102
  H      -6.687683      9.530134      4.367747
  H      -4.501031      3.267719      2.660019
  H      -6.173569      7.002631      0.133211
  H     -12.700103      1.058548      0.129171
  H     -11.262836      1.950091     -0.454957
  H     -12.373338      2.738930      0.675392
  H     -10.155579      3.664924      0.729175
  H      -8.334002      4.989970      1.805529
  H      -6.405419      2.320594      7.278922
  H      -9.726843      0.644960      3.779761
  N      -2.200351      1.248948      3.180969
  N      -1.535113      1.076310      2.285553
88
Coordinates from ORCA-job orca E -6723.641473435311
  N      -2.236112     -0.030011      5.608895
  Mo     -3.341985      1.575556      4.854719
  N      -4.456097      2.053183      6.534134
  C      -3.806418      2.631842      7.706316
  C      -2.325384      2.300224      7.625956
  N      -1.775804      2.378392      6.221084
  C      -0.552566      1.513822      6.148942
  C      -0.958441      0.041014      6.264096
  C      -1.428156      3.779792      5.809909
  C      -2.637686      4.498352      5.244353
  N      -3.289658      3.566710      4.326910
  H      -0.203987     -0.587429      5.763698
  H      -1.024256     -0.296768      7.311486
  H      -0.097838      1.693733      5.167491
  H       0.166788      1.804719      6.932012
  H      -3.342937      4.816150      6.028448
  H      -2.327809      5.408889      4.711569
  H      -0.985269      4.319440      6.662058
  H      -0.669852      3.694000      5.020287
  H      -4.211284      2.218902      8.646297
  H      -3.969174      3.721712      7.738683
  H      -2.186469      1.265266      7.957307
  H      -1.724938      2.950654      8.281013
  C      -6.488953      1.855874     -0.844899
  C      -5.662298      1.254114      0.264278
  O      -4.460957      1.490197      0.362254
  C      -6.327557      0.342253      1.246961
  C      -7.619210     -0.180359      1.078599
  C      -8.152057     -1.059953      2.017126
  C      -7.393738     -1.412434      3.129239
  F      -7.952738     -2.241046      4.028403
  C      -6.097912     -0.907335      3.343793
  C      -5.221728     -1.375227      4.457342
  O      -5.349069     -2.475217      4.996717
  N      -4.188570     -0.502294      4.790768
  C      -3.116807     -0.986647      5.454131
  C      -5.599644     -0.028887      2.380587
  C      -8.056312     10.742363     -0.279540
  C      -7.457648      9.352623     -0.237780
  O      -7.364418      8.679015     -1.260353
  C      -6.935165      8.843965      1.067176
  C      -7.047838      9.576548      2.261981
  C      -6.563303      9.050655      3.453586
  C      -5.948385      7.799486      3.452082
  F      -5.529185      7.336150      4.647887
  C      -5.799037      7.036667      2.280572
  C      -5.182986      5.663836      2.188083
  O      -5.457747      4.952730      1.215445
  N      -4.330341      5.333460      3.227695
  C      -4.071293      4.048367      3.353373
  C      -6.319588      7.587799      1.104690
  C     -11.881510      1.776231      0.393595
  C     -11.046245      1.197469      1.514870
  O     -11.205287      0.033632      1.879197
  C     -10.032460      2.072791      2.171101
  C      -9.698731      3.341639      1.664531
  C      -8.723268      4.115702      2.283541
  C      -8.081995      3.605680      3.407586
  F      -7.198181      4.407570      4.038201
  C      -8.362168      2.337129      3.935329
  C      -7.686722      1.789212      5.160798
  O      -8.346809      1.169814      6.001538
  N      -6.318032      1.977618      5.217983
  C      -5.779829      2.118161      6.413752
  C      -9.368560      1.599125      3.311400
  H      -7.316413      2.447823     -0.424304
  H      -5.852684      2.503730     -1.455991
  H      -6.935749      1.070357     -1.473539
  H      -8.219693      0.095797      0.211471
  H      -9.165907     -1.448706      1.922989
  H      -3.032840     -2.027616      5.794129
  H      -4.585947      0.363221      2.476830
  H      -8.947619     10.802227      0.363755
  H      -7.340404     11.491885      0.090157
  H      -8.337114     10.979699     -1.311082
  H      -7.525340     10.556534      2.271244
  H      -6.658199      9.589031      4.397084
  H      -4.524407      3.298637      2.684382
  H      -6.239057      7.003141      0.186884
  H     -12.627675      1.036954      0.084246
  H     -11.246395      2.030948     -0.469178
  H     -12.381571      2.703400      0.710240
  H     -10.199795      3.733398      0.779128
  H      -8.446405      5.103318      1.914309
  H      -6.400194      2.339146      7.299369
  H      -9.636077      0.622254      3.714452
  N      -2.224632      1.272797      3.177566
  N      -1.566602      1.105218      2.276009
88
Coordinates from ORCA-job orca E -6723.642273458943
  N      -2.191422     -0.030860      5.607952
  Mo     -3.321562      1.557414      4.851906
  N      -4.453422      2.007437      6.527727
  C      -3.820485      2.594349      7.704493
  C      -2.334009      2.288672      7.633547
  N      -1.776950      2.381998      6.232563
  C      -0.538600      1.539052      6.165892
  C      -0.920267      0.059421      6.273372
  C      -1.449685      3.790322      5.828779
  C      -2.666803      4.491702      5.257818
  N      -3.297892      3.552404      4.333599
  H      -0.151456     -0.554652      5.777040
  H      -0.988889     -0.282480      7.319280
  H      -0.080037      1.730313      5.188421
  H       0.169934      1.839707      6.955127
  H      -3.382168      4.796797      6.037719
  H      -2.367742      5.408149      4.728978
  H      -1.020494      4.333915      6.685445
  H      -0.685335      3.719152      5.043630
  H      -4.224844      2.174538      8.641641
  H      -4.001170      3.681437      7.736571
  H      -2.179064      1.254936      7.961787
  H      -1.749510      2.947332      8.294778
  C      -6.632080      1.965768     -0.712485
  C      -5.756884      1.360303      0.356731
  O      -4.569870      1.660471      0.454463
  C      -6.362279      0.376001      1.307179
  C      -7.637480     -0.185399      1.138603
  C      -8.121963     -1.121192      2.047874
  C      -7.332708     -1.490353      3.132617
  F      -7.847156     -2.372655      4.006999
  C      -6.051837     -0.948826      3.346571
  C      -5.148456     -1.421705      4.435779
  O      -5.244735     -2.535366      4.952818
  N      -4.128291     -0.535552      4.773200
  C      -3.051268     -1.004148      5.438966
  C      -5.600180     -0.016532      2.410978
  C      -8.046454     10.701930     -0.329320
  C      -7.421859      9.323700     -0.286386
  O      -7.294393      8.660638     -1.312168
  C      -6.937488      8.804270      1.029037
  C      -7.098762      9.519860      2.228395
  C      -6.646943      8.984550      3.428570
  C      -6.017999      7.740334      3.432088
  F      -5.633284      7.267505      4.635663
  C      -5.821957      6.993425      2.256940
  C      -5.186540      5.628699      2.168418
  O      -5.416072      4.927746      1.176057
  N      -4.351166      5.304816      3.224468
  C      -4.076787      4.022905      3.353364
  C      -6.309248      7.554618      1.071443
  C     -11.888582      1.916192      0.379365
  C     -11.095404      1.311490      1.517477
  O     -11.332092      0.170118      1.909482
  C     -10.024097      2.132538      2.152477
  C      -9.618227      3.371492      1.624795
  C      -8.599347      4.098801      2.230503
  C      -7.983910      3.570040      3.360385
  F      -7.052598      4.328271      3.976841
  C      -8.332048      2.325875      3.904940
  C      -7.677936      1.755509      5.131103
  O      -8.358963      1.165296      5.975897
  N      -6.306390      1.920731      5.199408
  C      -5.777161      2.058793      6.398930
  C      -9.381930      1.637463      3.295948
  H      -7.489295      2.482511     -0.254565
  H      -6.043907      2.681164     -1.295758
  H      -7.037145      1.186571     -1.376427
  H      -8.265302      0.107786      0.296767
  H      -9.123676     -1.539895      1.953627
  H      -2.949112     -2.045384      5.773007
  H      -4.600651      0.409807      2.508988
  H      -8.954881     10.738654      0.291419
  H      -7.354246     11.460590      0.066137
  H      -8.305017     10.945045     -1.365307
  H      -7.587082     10.494532      2.233796
  H      -6.778278      9.510156      4.374860
  H      -4.510673      3.267706      2.677673
  H      -6.189033      6.984917      0.149070
  H     -12.680937      1.219922      0.085247
  H     -11.236090      2.107486     -0.486879
  H     -12.327793      2.881495      0.671111
  H     -10.099744      3.778380      0.735415
  H      -8.269461      5.063608      1.845277
  H      -6.405079      2.275138      7.280402
  H      -9.703365      0.684139      3.715644
  N      -2.185766      1.279807      3.182539
  N      -1.519094      1.126204      2.284904
88
Coordinates from ORCA-job orca E -6723.641685617727
  N      -2.245168     -0.036055      5.620048
  Mo     -3.348981      1.566980      4.850112
  N      -4.464913      2.052354      6.527356
  C      -3.820372      2.638431      7.696642
  C      -2.340644      2.302620      7.625774
  N      -1.783124      2.371858      6.223650
  C      -0.561511      1.505240      6.163267
  C      -0.970680      0.034071      6.280880
  C      -1.426159      3.769000      5.809099
  C      -2.627497      4.490539      5.231366
  N      -3.278537      3.557559      4.315390
  H      -0.215071     -0.597263      5.785904
  H      -1.042433     -0.300024      7.329074
  H      -0.099308      1.681140      5.184575
  H       0.152788      1.798255      6.950210
  H      -3.336595      4.815935      6.008495
  H      -2.309722      5.396158      4.695002
  H      -0.986934      4.310771      6.661800
  H      -0.662306      3.674733      5.026150
  H      -4.230108      2.234687      8.638512
  H      -3.981341      3.729128      7.719445
  H      -2.206644      1.268354      7.960517
  H      -1.741263      2.954313      8.280497
  C      -6.651499      2.104087     -0.628824
  C      -5.780921      1.498141      0.443567
  O      -4.625631      1.876899      0.618225
  C      -6.370892      0.447297      1.328808
  C      -7.612022     -0.161888      1.086244
  C      -8.096804     -1.142575      1.945877
  C      -7.343093     -1.508306      3.056906
  F      -7.858197     -2.436682      3.881984
  C      -6.093426     -0.925979      3.339692
  C      -5.221876     -1.390471      4.456542
  O      -5.309288     -2.514758      4.952180
  N      -4.189779     -0.515764      4.788634
  C      -3.119899     -0.996515      5.457132
  C      -5.637996      0.048291      2.449779
  C      -8.078469     10.718421     -0.285454
  C      -7.402204      9.364288     -0.272507
  O      -7.348289      8.680991     -1.291404
  C      -6.873424      8.847940      1.026971
  C      -6.997803      9.564598      2.230087
  C      -6.504807      9.032319      3.415189
  C      -5.876864      7.787635      3.400795
  F      -5.451257      7.318420      4.591692
  C      -5.719316      7.037997      2.221615
  C      -5.093751      5.669292      2.118998
  O      -5.379347      4.954165      1.150961
  N      -4.268183      5.327684      3.178737
  C      -4.035788      4.038181      3.324801
  C      -6.242994      7.598826      1.050985
  C     -11.877981      1.702665      0.376865
  C     -11.111273      1.168923      1.567420
  O     -11.331481      0.038291      1.998121
  C     -10.052827      2.027140      2.174379
  C      -9.660809      3.251902      1.603799
  C      -8.658866      4.016897      2.190505
  C      -8.038907      3.535843      3.339205
  F      -7.122551      4.328150      3.934029
  C      -8.367411      2.304823      3.921569
  C      -7.699081      1.779718      5.159423
  O      -8.364241      1.188759      6.015557
  N      -6.326568      1.950645      5.209601
  C      -5.789092      2.114393      6.401742
  C      -9.408058      1.582721      3.336519
  H      -7.560856      2.535150     -0.182997
  H      -6.090438      2.888370     -1.147088
  H      -6.974315      1.337789     -1.350250
  H      -8.217377      0.133709      0.229116
  H      -9.075046     -1.597495      1.791981
  H      -3.033800     -2.037791      5.795425
  H      -4.664114      0.514575      2.607180
  H      -8.948437     10.729555      0.389238
  H      -7.390270     11.503349      0.062143
  H      -8.407721     10.943694     -1.305331
  H      -7.487571     10.538383      2.250149
  H      -6.604677      9.559865      4.364279
  H      -4.487684      3.287523      2.655141
  H      -6.151462      7.029267      0.125788
  H     -12.650662      0.979597      0.095369
  H     -11.202542      1.860467     -0.478749
  H     -12.340340      2.673938      0.605915
  H     -10.143604      3.619693      0.698094
  H      -8.344676      4.973177      1.772969
  H      -6.413916      2.336255      7.283942
  H      -9.716858      0.640919      3.789249
  N      -2.226643      1.251971      3.178311
  N      -1.567836      1.075670      2.278846
88
Coordinates from ORCA-job orca E -6723.642501979677
  N      -2.217703     -0.025464      5.604351
  Mo     -3.346066      1.568635      4.852182
  N      -4.463141      2.025038      6.535826
  C      -3.823360      2.606091      7.710481
  C      -2.339339      2.290169      7.631580
  N      -1.787405      2.382792      6.228417
  C      -0.553426      1.534515      6.154691
  C      -0.940861      0.056388      6.259443
  C      -1.453070      3.789860      5.827784
  C      -2.666986      4.498433      5.260236
  N      -3.304894      3.564706      4.335573
  H      -0.178968     -0.559232      5.754421
  H      -1.002474     -0.289160      7.304555
  H      -0.097702      1.726672      5.176029
  H       0.159639      1.830084      6.941782
  H      -3.379479      4.804300      6.042337
  H      -2.364939      5.414638      4.732847
  H      -1.020435      4.329372      6.685274
  H      -0.689651      3.716276      5.042082
  H      -4.225550      2.186549      8.648710
  H      -3.997740      3.694301      7.745907
  H      -2.190891      1.254156      7.954901
  H      -1.746551      2.942333      8.291807
  C      -6.629075      1.993107     -0.704690
  C      -5.758300      1.387720      0.368086
  O      -4.580945      1.714206      0.493581
  C      -6.364384      0.388827      1.301933
  C      -7.630311     -0.186221      1.109718
  C      -8.120220     -1.129900      2.007564
  C      -7.345562     -1.493937      3.104602
  F      -7.864484     -2.386209      3.966220
  C      -6.072990     -0.941121      3.340249
  C      -5.181336     -1.408552      4.440726
  O      -5.277582     -2.523523      4.955551
  N      -4.158429     -0.524461      4.775988
  C      -3.079464     -0.996537      5.436340
  C      -5.615571     -0.000936      2.415543
  C      -8.034958     10.737966     -0.319096
  C      -7.401577      9.363641     -0.281017
  O      -7.330159      8.677605     -1.297052
  C      -6.888799      8.854165      1.027554
  C      -7.010421      9.585837      2.221926
  C      -6.534812      9.058696      3.416418
  C      -5.923989      7.805423      3.419715
  F      -5.514861      7.342645      4.619005
  C      -5.767840      7.041752      2.249284
  C      -5.160110      5.664107      2.162807
  O      -5.421150      4.958729      1.181362
  N      -4.322565      5.329905      3.214726
  C      -4.069244      4.043442      3.348685
  C      -6.275930      7.596865      1.069330
  C     -11.880226      1.782668      0.377710
  C     -11.097778      1.212628      1.540824
  O     -11.312660      0.069541      1.940270
  C     -10.044760      2.059397      2.172616
  C      -9.663765      3.304269      1.639770
  C      -8.661966      4.055576      2.244227
  C      -8.035204      3.543680      3.375694
  F      -7.119250      4.322628      3.988747
  C      -8.356459      2.294274      3.923555
  C      -7.686283      1.737663      5.147057
  O      -8.352505      1.136485      5.995491
  N      -6.316619      1.924570      5.210461
  C      -5.787221      2.074181      6.408642
  C      -9.393605      1.583354      3.318773
  H      -7.505852      2.481680     -0.253017
  H      -6.047387      2.731607     -1.265579
  H      -7.004723      1.216746     -1.388858
  H      -8.248269      0.103995      0.259727
  H      -9.115608     -1.558397      1.893059
  H      -2.977141     -2.039517      5.764728
  H      -4.622982      0.436770      2.532648
  H      -8.917160     10.780961      0.338000
  H      -7.330480     11.505283      0.035573
  H      -8.337197     10.963824     -1.347168
  H      -7.485981     10.566817      2.228064
  H      -6.634650      9.597339      4.359257
  H      -4.512349      3.292320      2.674009
  H      -6.187533      7.014712      0.151248
  H     -12.652052      1.065420      0.079543
  H     -11.214591      1.973484     -0.478734
  H     -12.345133      2.743084      0.644653
  H     -10.152207      3.696828      0.747618
  H      -8.353125      5.025152      1.854152
  H      -6.416924      2.281575      7.290871
  H      -9.694906      0.625622      3.742672
  N      -2.224218      1.283794      3.174804
  N      -1.565503      1.125109      2.272053
88
Coordinates from ORCA-job orca E -6723.642374036868
  N      -2.217495     -0.032979      5.601404
  Mo     -3.355636      1.559440      4.860350
  N      -4.456071      2.016083      6.553979
  C      -3.805499      2.587184      7.727592
  C      -2.322527      2.270356      7.632400
  N      -1.784711      2.373463      6.224389
  C      -0.549124      1.528969      6.134329
  C      -0.932064      0.049541      6.239823
  C      -1.459108      3.784182      5.828251
  C      -2.679691      4.489719      5.270704
  N      -3.318132      3.556417      4.345513
  H      -0.175902     -0.563190      5.722867
  H      -0.979210     -0.299163      7.284632
  H      -0.104791      1.725114      5.151253
  H       0.171765      1.824344      6.914356
  H      -3.389494      4.788884      6.057916
  H      -2.385395      5.409521      4.745297
  H      -1.023610      4.321825      6.685476
  H      -0.700150      3.717880      5.037551
  H      -4.200199      2.161720      8.666339
  H      -3.977323      3.675372      7.772371
  H      -2.171830      1.231903      7.947038
  H      -1.722918      2.917270      8.291629
  C      -6.647056      1.961301     -0.692053
  C      -5.781702      1.370485      0.393582
  O      -4.601822      1.690366      0.512248
  C      -6.385135      0.369606      1.327555
  C      -7.646597     -0.214718      1.134393
  C      -8.132410     -1.158617      2.034912
  C      -7.356672     -1.515477      3.133634
  F      -7.871687     -2.407519      3.997736
  C      -6.086640     -0.956043      3.367769
  C      -5.188938     -1.420773      4.464726
  O      -5.280568     -2.535286      4.981528
  N      -4.164730     -0.535625      4.791529
  C      -3.077975     -1.006245      5.440439
  C      -5.635119     -0.013965      2.442372
  C      -8.105248     10.689756     -0.311737
  C      -7.487751      9.308420     -0.266644
  O      -7.396193      8.628938     -1.285474
  C      -6.950975      8.812908      1.037638
  C      -7.062502      9.551172      2.228907
  C      -6.565379      9.036086      3.419940
  C      -5.941273      7.789342      3.422150
  F      -5.510897      7.338315      4.618585
  C      -5.792929      7.020566      2.254011
  C      -5.166565      5.651454      2.164238
  O      -5.443991      4.932023      1.197752
  N      -4.331086      5.321804      3.218575
  C      -4.080958      4.035593      3.356602
  C      -6.324334      7.562465      1.078413
  C     -11.803706      1.870130      0.323119
  C     -11.031242      1.291089      1.488411
  O     -11.266210      0.153778      1.893145
  C      -9.983244      2.132480      2.135345
  C      -9.584981      3.373253      1.605764
  C      -8.583655      4.116666      2.221103
  C      -7.976758      3.601980      3.362114
  F      -7.061230      4.374114      3.984771
  C      -8.318763      2.357385      3.910034
  C      -7.675508      1.799927      5.147291
  O      -8.359631      1.195151      5.978965
  N      -6.302936      1.956612      5.223453
  C      -5.778526      2.083224      6.426778
  C      -9.353174      1.653916      3.292184
  H      -7.527733      2.453984     -0.252454
  H      -6.062914      2.693834     -1.258116
  H      -7.016551      1.175991     -1.369490
  H      -8.264486      0.068502      0.281934
  H      -9.124932     -1.594019      1.920303
  H      -2.968623     -2.049766      5.764680
  H      -4.644956      0.429147      2.558955
  H      -8.988700     10.744193      0.342718
  H      -7.393730     11.451125      0.042208
  H      -8.402152     10.915096     -1.341451
  H      -7.547292     10.527615      2.235592
  H      -6.657393      9.579532      4.360795
  H      -4.525428      3.284745      2.682861
  H      -6.242228      6.975200      0.162813
  H     -12.580989      1.160647      0.020480
  H     -11.132265      2.055787     -0.529822
  H     -12.260667      2.834642      0.589057
  H     -10.057481      3.767919      0.706090
  H      -8.260825      5.082834      1.833088
  H      -6.407554      2.298605      7.307522
  H      -9.669197      0.699941      3.714135
  N      -2.249239      1.275750      3.172761
  N      -1.599183      1.118619      2.263513
88
Coordinates from ORCA-job orca E -6723.642617461076
  N      -2.215526     -0.023629      5.594298
  Mo     -3.359928      1.566986      4.857311
  N      -4.461786      2.013866      6.552506
  C      -3.815028      2.584759      7.727893
  C      -2.330815      2.273321      7.632856
  N      -1.791963      2.382129      6.225647
  C      -0.553216      1.542590      6.133577
  C      -0.930343      0.061253      6.232790
  C      -1.470396      3.795007      5.834834
  C      -2.692419      4.498287      5.278038
  N      -3.326673      3.566131      4.349062
  H      -0.171840     -0.546294      5.713148
  H      -0.975968     -0.292017      7.276130
  H      -0.108879      1.744399      5.151657
  H       0.165941      1.837834      6.915257
  H      -3.404343      4.792100      6.065291
  H      -2.400720      5.420872      4.756087
  H      -1.037932      4.331213      6.694482
  H      -0.710050      3.733686      5.045125
  H      -4.208468      2.155060      8.665243
  H      -3.991509      3.672138      7.775652
  H      -2.177042      1.234367      7.944101
  H      -1.733738      2.920140      8.294461
  C      -6.671498      1.976950     -0.683618
  C      -5.796678      1.383955      0.393056
  O      -4.621958      1.720331      0.516981
  C      -6.390622      0.374100      1.323098
  C      -7.648319     -0.217920      1.128546
  C      -8.126893     -1.168938      2.025164
  C      -7.348111     -1.524547      3.122157
  F      -7.856505     -2.423570      3.982970
  C      -6.081633     -0.957551      3.357659
  C      -5.180754     -1.420590      4.452597
  O      -5.265432     -2.537758      4.964914
  N      -4.160141     -0.531898      4.781373
  C      -3.071174     -1.000242      5.428261
  C      -5.636770     -0.009092      2.435429
  C      -8.044417     10.734147     -0.327623
  C      -7.425358      9.353579     -0.281137
  O      -7.355272      8.663170     -1.294292
  C      -6.902559      8.853339      1.027021
  C      -7.011522      9.594867      2.216486
  C      -6.527191      9.075635      3.410947
  C      -5.919779      7.820674      3.418966
  F      -5.502119      7.366637      4.618711
  C      -5.775680      7.047456      2.253150
  C      -5.170450      5.668315      2.169951
  O      -5.438217      4.958906      1.193302
  N      -4.335344      5.333733      3.223328
  C      -4.085649      4.046806      3.358489
  C      -6.292772      7.594790      1.073537
  C     -11.829338      1.806896      0.341962
  C     -11.057146      1.235287      1.511115
  O     -11.281924      0.095065      1.913297
  C     -10.009235      2.080885      2.152867
  C      -9.621386      3.325340      1.623921
  C      -8.621653      4.073653      2.235754
  C      -8.004427      3.559472      3.371467
  F      -7.090827      4.335568      3.991812
  C      -8.334451      2.311052      3.917092
  C      -7.677846      1.752850      5.146757
  O      -8.353050      1.151426      5.987896
  N      -6.307578      1.931864      5.221323
  C      -5.784841      2.069992      6.424130
  C      -9.368549      1.602945      3.304055
  H      -7.556982      2.454062     -0.236562
  H      -6.097416      2.722712     -1.242704
  H      -7.033173      1.194852     -1.368934
  H      -8.268967      0.064471      0.277868
  H      -9.116047     -1.611216      1.908377
  H      -2.956797     -2.044779      5.747452
  H      -4.649833      0.440724      2.553234
  H      -8.923752     10.791136      0.332264
  H      -7.330801     11.496928      0.018697
  H      -8.347933     10.955259     -1.356329
  H      -7.483739     10.577473      2.218933
  H      -6.617016      9.622056      4.350294
  H      -4.527347      3.297081      2.681614
  H      -6.213217      7.005213      0.159331
  H     -12.600928      1.091695      0.038230
  H     -11.156368      1.995368     -0.509239
  H     -12.293631      2.768803      0.604480
  H     -10.101969      3.719648      0.728351
  H      -8.307990      5.043061      1.848629
  H      -6.417216      2.275515      7.304781
  H      -9.675419      0.645725      3.725268
  N      -2.253134      1.292401      3.168515
  N      -1.602950      1.139849      2.258561
88
Coordinates from ORCA-job orca E -6723.642648715812
  N      -2.212582     -0.017727      5.587898
  Mo     -3.369662      1.569870      4.861697
  N      -4.461591      2.008168      6.564757
  C      -3.812070      2.569400      7.742475
  C      -2.327455      2.262533      7.636413
  N      -1.796615      2.385369      6.227262
  C      -0.553636      1.553889      6.121889
  C      -0.921491      0.069745      6.213906
  C      -1.485048      3.803054      5.846513
  C      -2.712272      4.501596      5.295530
  N      -3.341066      3.571472      4.360951
  H      -0.165024     -0.529819      5.682177
  H      -0.954645     -0.291279      7.255059
  H      -0.116967      1.765018      5.138509
  H       0.168806      1.848453      6.900799
  H      -3.425675      4.784444      6.085445
  H      -2.428110      5.429803      4.779531
  H      -1.055635      4.336112      6.709612
  H      -0.724871      3.752610      5.055928
  H      -4.199605      2.129515      8.677548
  H      -3.991184      3.655839      7.801701
  H      -2.169664      1.221101      7.937011
  H      -1.728125      2.904678      8.300520
  C      -6.707994      1.918169     -0.695264
  C      -5.825733      1.340987      0.383926
  O      -4.655936      1.694249      0.507364
  C      -6.411013      0.337899      1.326349
  C      -7.667722     -0.259911      1.143767
  C      -8.138888     -1.203507      2.051930
  C      -7.352976     -1.547128      3.147636
  F      -7.853626     -2.440727      4.018568
  C      -6.086865     -0.974252      3.371361
  C      -5.176495     -1.429230      4.462008
  O      -5.255305     -2.544127      4.980369
  N      -4.158832     -0.534841      4.784766
  C      -3.062236     -0.999141      5.421829
  C      -5.650442     -0.032007      2.438667
  C      -8.067014     10.731760     -0.323069
  C      -7.440100      9.354762     -0.276997
  O      -7.387936      8.655363     -1.285038
  C      -6.905028      8.861453      1.028814
  C      -7.002052      9.609584      2.215223
  C      -6.506359      9.096495      3.407633
  C      -5.900470      7.840742      3.416976
  F      -5.471366      7.393655      4.615254
  C      -5.768325      7.060816      2.254141
  C      -5.165784      5.680293      2.172003
  O      -5.441749      4.967760      1.199868
  N      -4.335171      5.343078      3.228357
  C      -4.090676      4.055015      3.364662
  C      -6.295784      7.602732      1.076477
  C     -11.783100      1.840453      0.304299
  C     -11.024869      1.263447      1.479856
  O     -11.249034      0.118611      1.869078
  C      -9.983749      2.105677      2.136995
  C      -9.597861      3.357758      1.624669
  C      -8.606175      4.103880      2.251915
  C      -7.993448      3.579329      3.385216
  F      -7.087955      4.352687      4.020556
  C      -8.320021      2.322576      3.913389
  C      -7.668288      1.753032      5.140266
  O      -8.346224      1.141747      5.971948
  N      -6.298710      1.934552      5.225147
  C      -5.783897      2.064865      6.432790
  C      -9.347669      1.617246      3.286332
  H      -7.600742      2.384401     -0.251396
  H      -6.143567      2.669392     -1.257001
  H      -7.057806      1.128265     -1.377758
  H      -8.293855      0.012372      0.293799
  H      -9.127528     -1.649018      1.944180
  H      -2.937952     -2.044908      5.733166
  H      -4.664420      0.421912      2.547089
  H      -8.936293     10.789261      0.349973
  H      -7.351756     11.500172      0.006889
  H      -8.387476     10.944404     -1.348430
  H      -7.473444     10.592601      2.216901
  H      -6.586269      9.648262      4.344762
  H      -4.529298      3.307006      2.683921
  H      -6.224910      7.008302      0.164763
  H     -12.548479      1.125063     -0.014319
  H     -11.099347      2.036342     -0.536628
  H     -12.253744      2.799292      0.566684
  H     -10.074918      3.760460      0.730898
  H      -8.295008      5.079071      1.877655
  H      -6.421397      2.263590      7.311139
  H      -9.652973      0.654188      3.694942
  N      -2.273257      1.303881      3.164924
  N      -1.628828      1.155863      2.250110
88
Coordinates from ORCA-job orca E -6723.642749244150
  N      -2.207468     -0.003001      5.573552
  Mo     -3.384489      1.579596      4.865638
  N      -4.467686      1.994349      6.579271
  C      -3.818212      2.545739      7.761092
  C      -2.331827      2.250899      7.643809
  N      -1.809686      2.396380      6.233658
  C      -0.558902      1.578877      6.109944
  C      -0.911142      0.090115      6.188205
  C      -1.513602      3.821651      5.870570
  C      -2.748147      4.513803      5.327853
  N      -3.366420      3.587511      4.382451
  H      -0.154046     -0.495953      5.642575
  H      -0.931258     -0.282991      7.225420
  H      -0.132866      1.806192      5.125642
  H       0.166548      1.872666      6.886377
  H      -3.466039      4.780348      6.119447
  H      -2.474033      5.450568      4.821934
  H      -1.088521      4.348724      6.739456
  H      -0.753978      3.788520      5.078621
  H      -4.197837      2.091289      8.692398
  H      -4.005013      3.629909      7.835253
  H      -2.165065      1.206859      7.930311
  H      -1.733744      2.888653      8.313229
  C      -6.760743      1.896040     -0.698838
  C      -5.863263      1.332376      0.374985
  O      -4.699084      1.704808      0.493823
  C      -6.430350      0.321933      1.320737
  C      -7.683849     -0.285368      1.147873
  C      -8.142370     -1.229694      2.061495
  C      -7.346561     -1.564912      3.152681
  F      -7.836534     -2.456809      4.031452
  C      -6.082388     -0.983966      3.365262
  C      -5.160431     -1.435513      4.447389
  O      -5.226145     -2.554246      4.959613
  N      -4.150334     -0.534004      4.771959
  C      -3.044555     -0.993366      5.397006
  C      -5.658535     -0.040640      2.427737
  C      -8.007564     10.779114     -0.337360
  C      -7.390908      9.397666     -0.286834
  O      -7.332242      8.699709     -1.295481
  C      -6.864435      8.902423      1.021752
  C      -6.964165      9.650868      2.207656
  C      -6.477139      9.135187      3.402514
  C      -5.877516      7.876428      3.415070
  F      -5.456969      7.428110      4.616089
  C      -5.742590      7.095929      2.252798
  C      -5.144436      5.712956      2.171866
  O      -5.405491      5.008536      1.189777
  N      -4.335221      5.365371      3.240599
  C      -4.100625      4.075515      3.377711
  C      -6.260864      7.641142      1.072544
  C     -11.795225      1.789291      0.317368
  C     -11.041682      1.223613      1.501409
  O     -11.277860      0.088227      1.910162
  C      -9.992707      2.067013      2.145174
  C      -9.606469      3.314294      1.621805
  C      -8.610309      4.063099      2.238730
  C      -7.993179      3.545927      3.373172
  F      -7.087777      4.323821      4.002747
  C      -8.317764      2.292491      3.910163
  C      -7.665343      1.731090      5.140011
  O      -8.341534      1.119639      5.972771
  N      -6.296237      1.920601      5.230717
  C      -5.789392      2.048821      6.442632
  C      -9.349674      1.584354      3.293088
  H      -7.661289      2.341591     -0.249663
  H      -6.214075      2.661272     -1.259273
  H      -7.095781      1.101654     -1.383654
  H      -8.317709     -0.020007      0.301542
  H      -9.127060     -1.684739      1.959890
  H      -2.903761     -2.042090      5.690596
  H      -4.675820      0.421646      2.528416
  H      -8.879577     10.843160      0.331519
  H      -7.288346     11.542634     -0.004389
  H      -8.321244     10.993119     -1.364502
  H      -7.430721     10.636192      2.207135
  H      -6.558948      9.687379      4.339213
  H      -4.531716      3.330793      2.689204
  H      -6.186824      7.047085      0.160937
  H     -12.563893      1.073863      0.006774
  H     -11.109053      1.971523     -0.524616
  H     -12.261810      2.753655      0.566579
  H     -10.088222      3.712785      0.728702
  H      -8.301103      5.036018      1.857555
  H      -6.432699      2.239763      7.318291
  H      -9.653743      0.624420      3.710057
  N      -2.296173      1.337282      3.160511
  N      -1.656866      1.202236      2.240077
88
Coordinates from ORCA-job orca E -6723.642858558511
  N      -2.207723      0.009078      5.549142
  Mo     -3.415400      1.584810      4.874680
  N      -4.473095      1.970304      6.609397
  C      -3.814204      2.507062      7.792018
  C      -2.326737      2.227789      7.647957
  N      -1.827561      2.403042      6.232938
  C      -0.568380      1.603935      6.075051
  C      -0.899862      0.109780      6.137982
  C      -1.554615      3.837761      5.890742
  C      -2.802799      4.520999      5.368416
  N      -3.414902      3.600132      4.413503
  H      -0.147106     -0.458499      5.568145
  H      -0.894190     -0.278795      7.169664
  H      -0.164733      1.851982      5.086451
  H       0.167461      1.896685      6.842064
  H      -3.519994      4.765768      6.167732
  H      -2.545895      5.468730      4.874020
  H      -1.128403      4.356901      6.763798
  H      -0.802300      3.827741      5.091255
  H      -4.176442      2.032780      8.720312
  H      -4.009442      3.587943      7.888156
  H      -2.146405      1.180753      7.914803
  H      -1.724700      2.859527      8.319525
  C      -6.803901      1.875793     -0.692409
  C      -5.901165      1.333003      0.388147
  O      -4.741770      1.720128      0.505124
  C      -6.451372      0.306679      1.327133
  C      -7.696820     -0.316461      1.152288
  C      -8.144408     -1.267288      2.064693
  C      -7.344247     -1.595074      3.155103
  F      -7.824733     -2.491519      4.034493
  C      -6.085611     -1.001824      3.366145
  C      -5.154952     -1.448577      4.442400
  O      -5.197838     -2.576104      4.938106
  N      -4.152659     -0.538808      4.765157
  C      -3.030582     -0.991747      5.366624
  C      -5.673449     -0.050540      2.431593
  C      -7.950918     10.819007     -0.370425
  C      -7.357161      9.428225     -0.303595
  O      -7.313182      8.716285     -1.303151
  C      -6.833771      8.941891      1.009607
  C      -6.916086      9.707462      2.185781
  C      -6.432908      9.199294      3.385420
  C      -5.854618      7.930772      3.412569
  F      -5.436311      7.492850      4.618388
  C      -5.736974      7.132895      2.260083
  C      -5.160187      5.739647      2.191828
  O      -5.408019      5.041428      1.202006
  N      -4.364292      5.385405      3.267302
  C      -4.138035      4.094366      3.404062
  C      -6.250730      7.671709      1.074941
  C     -11.769462      1.745016      0.314690
  C     -11.024806      1.190006      1.509355
  O     -11.266267      0.059891      1.928938
  C      -9.978685      2.038493      2.151722
  C      -9.593895      3.284527      1.624566
  C      -8.600237      4.037722      2.240395
  C      -7.985248      3.526877      3.378963
  F      -7.085874      4.310155      4.010051
  C      -8.307780      2.274117      3.919286
  C      -7.661041      1.718471      5.154212
  O      -8.339829      1.105202      5.983422
  N      -6.291963      1.909762      5.254800
  C      -5.793817      2.027811      6.472409
  C      -9.336652      1.561300      3.302402
  H      -7.717467      2.300264     -0.249232
  H      -6.271308      2.653425     -1.249469
  H      -7.114923      1.073593     -1.379581
  H      -8.333870     -0.057658      0.306426
  H      -9.122658     -1.735624      1.961651
  H      -2.868120     -2.043641      5.636325
  H      -4.697558      0.425316      2.533853
  H      -8.817453     10.906848      0.302857
  H      -7.216932     11.574920     -0.052513
  H      -8.267105     11.023623     -1.398681
  H      -7.365789     10.700532      2.174162
  H      -6.501072      9.765290      4.314930
  H      -4.567049      3.353375      2.710831
  H      -6.190048      7.064345      0.171072
  H     -12.532451      1.024657      0.001499
  H     -11.076073      1.925671     -0.521642
  H     -12.242797      2.708805      0.553436
  H     -10.074365      3.679151      0.729096
  H      -8.292747      5.010313      1.856999
  H      -6.441348      2.212012      7.346150
  H      -9.638448      0.601732      3.721908
  N      -2.352835      1.373115      3.149953
  N      -1.728229      1.255301      2.217025
88
Coordinates from ORCA-job orca E -6723.642963001579
  N      -2.205349      0.021015      5.527061
  Mo     -3.443054      1.589148      4.886101
  N      -4.478283      1.942486      6.639620
  C      -3.813108      2.462932      7.824937
  C      -2.324444      2.200845      7.656706
  N      -1.845652      2.407930      6.239134
  C      -0.578024      1.629214      6.048701
  C      -0.887576      0.129953      6.091856
  C      -1.596204      3.852164      5.921184
  C      -2.857117      4.525197      5.417171
  N      -3.459794      3.611480      4.449291
  H      -0.138437     -0.418054      5.497959
  H      -0.856919     -0.275989      7.116371
  H      -0.194917      1.899959      5.057939
  H       0.166032      1.920158      6.808447
  H      -3.575212      4.745039      6.222987
  H      -2.617323      5.484803      4.937388
  H      -1.172005      4.362169      6.800514
  H      -0.849338      3.867968      5.116666
  H      -4.159221      1.966677      8.747848
  H      -4.017589      3.539750      7.944466
  H      -2.130753      1.151065      7.902677
  H      -1.720148      2.826108      8.332316
  C      -6.833745      1.847710     -0.698537
  C      -5.928599      1.323905      0.389897
  O      -4.776737      1.731003      0.511970
  C      -6.467009      0.290685      1.328314
  C      -7.708685     -0.340979      1.157043
  C      -8.147855     -1.293669      2.071713
  C      -7.341632     -1.616850      3.159178
  F      -7.813087     -2.516445      4.040271
  C      -6.084965     -1.017417      3.364329
  C      -5.143526     -1.462618      4.431909
  O      -5.171102     -2.595429      4.917161
  N      -4.150273     -0.544207      4.756235
  C      -3.012855     -0.989845      5.335900
  C      -5.682623     -0.062064      2.429745
  C      -7.931042     10.828828     -0.406127
  C      -7.356867      9.430847     -0.320037
  O      -7.331011      8.701492     -1.307591
  C      -6.818995      8.963729      0.994371
  C      -6.874051      9.752569      2.156673
  C      -6.378151      9.261462      3.358211
  C      -5.814813      7.986585      3.401261
  F      -5.381620      7.568619      4.608922
  C      -5.724160      7.165421      2.262644
  C      -5.162246      5.765049      2.208750
  O      -5.416976      5.059911      1.225494
  N      -4.382060      5.406484      3.293994
  C      -4.166301      4.113973      3.432240
  C      -6.249443      7.688429      1.075395
  C     -11.747490      1.743251      0.311542
  C     -11.011004      1.185590      1.510019
  O     -11.263600      0.059239      1.932878
  C      -9.963244      2.029395      2.156232
  C      -9.575798      3.277179      1.635095
  C      -8.581447      4.025989      2.255170
  C      -7.969041      3.509513      3.392554
  F      -7.070010      4.288800      4.028692
  C      -8.293607      2.254386      3.926379
  C      -7.650545      1.691316      5.159331
  O      -8.333910      1.082337      5.987879
  N      -6.282759      1.889370      5.273810
  C      -5.797640      1.999149      6.498718
  C      -9.323377      1.546234      3.305497
  H      -7.761000      2.250349     -0.263713
  H      -6.313665      2.637643     -1.250239
  H      -7.119074      1.039221     -1.389527
  H      -8.350075     -0.086937      0.313096
  H      -9.123704     -1.767984      1.972233
  H      -2.829442     -2.044290      5.580832
  H      -4.710241      0.421028      2.529541
  H      -8.786179     10.942634      0.277664
  H      -7.181434     11.579721     -0.113685
  H      -8.258919     11.017974     -1.433684
  H      -7.311844     10.750746      2.132936
  H      -6.424367      9.846172      4.277428
  H      -4.591183      3.377384      2.732079
  H      -6.209052      7.063135      0.182601
  H     -12.509832      1.024612     -0.007094
  H     -11.048848      1.924670     -0.520204
  H     -12.221328      2.707244      0.548797
  H     -10.054171      3.676684      0.740663
  H      -8.271430      4.999555      1.876047
  H      -6.453127      2.172212      7.368470
  H      -9.626951      0.585336      3.720482
  N      -2.403832      1.410639      3.144001
  N      -1.792292      1.311127      2.200245
88
Coordinates from ORCA-job orca E -6723.643077503913
  N      -2.198540      0.036440      5.498806
  Mo     -3.473181      1.593176      4.899997
  N      -4.484065      1.901876      6.674983
  C      -3.812429      2.404579      7.863150
  C      -2.322165      2.168170      7.667596
  N      -1.867895      2.414233      6.248633
  C      -0.590099      1.662616      6.021496
  C      -0.871865      0.157965      6.039518
  C      -1.648528      3.869195      5.959967
  C      -2.925875      4.527530      5.479343
  N      -3.516981      3.623049      4.495437
  H      -0.124872     -0.364194      5.420206
  H      -0.814115     -0.268003      7.054696
  H      -0.230214      1.960426      5.029771
  H       0.161863      1.952212      6.773936
  H      -3.643563      4.715150      6.293733
  H      -2.708177      5.501479      5.018344
  H      -1.226458      4.368332      6.846458
  H      -0.909763      3.917578      5.149170
  H      -4.138341      1.881780      8.778684
  H      -4.030442      3.475343      8.009820
  H      -2.109597      1.116508      7.888868
  H      -1.717687      2.787828      8.348254
  C      -6.870362      1.822558     -0.710748
  C      -5.958187      1.313806      0.379622
  O      -4.816909      1.747307      0.508511
  C      -6.481179      0.273347      1.318846
  C      -7.719379     -0.367020      1.154816
  C      -8.145308     -1.324480      2.070793
  C      -7.328957     -1.644337      3.151743
  F      -7.786131     -2.551001      4.033261
  C      -6.075290     -1.036563      3.349223
  C      -5.119430     -1.481039      4.404959
  O      -5.130772     -2.619253      4.878454
  N      -4.140503     -0.550883      4.737766
  C      -2.986518     -0.986109      5.294795
  C      -5.686626     -0.075653      2.414486
  C      -7.892618     10.837997     -0.461808
  C      -7.347113      9.430605     -0.346274
  O      -7.353127      8.674248     -1.313636
  C      -6.794369      8.989098      0.970925
  C      -6.809575      9.811527      2.110984
  C      -6.300294      9.343712      3.316188
  C      -5.764115      8.058222      3.385415
  F      -5.314527      7.667070      4.595917
  C      -5.714075      7.203030      2.269476
  C      -5.181140      5.790435      2.240772
  O      -5.450454      5.074065      1.269295
  N      -4.415059      5.429334      3.335568
  C      -4.207973      4.135315      3.473240
  C      -6.250696      7.704575      1.077874
  C     -11.724824      1.734964      0.315225
  C     -10.997319      1.175321      1.518234
  O     -11.254925      0.049372      1.939008
  C      -9.951947      2.016823      2.171451
  C      -9.568032      3.270060      1.660814
  C      -8.578669      4.018143      2.289478
  C      -7.966888      3.495337      3.424177
  F      -7.074588      4.274555      4.069328
  C      -8.286070      2.233898      3.946327
  C      -7.644787      1.663339      5.176339
  O      -8.328051      1.038451      5.993013
  N      -6.277317      1.862690      5.301010
  C      -5.802447      1.954822      6.532916
  C      -9.312523      1.527143      3.318055
  H      -7.809507      2.199941     -0.279141
  H      -6.366072      2.627526     -1.255357
  H      -7.131533      1.011331     -1.408079
  H      -8.368585     -0.116233      0.315945
  H      -9.119057     -1.804774      1.978187
  H      -2.778444     -2.042325      5.510638
  H      -4.717782      0.414764      2.509501
  H      -8.730936     10.990184      0.235104
  H      -7.121064     11.579966     -0.205964
  H      -8.236818     11.005001     -1.487871
  H      -7.225716     10.818266      2.067107
  H      -6.314600      9.955481      4.218696
  H      -4.626586      3.403856      2.764133
  H      -6.240158      7.053382      0.202818
  H     -12.481298      1.014614     -0.013346
  H     -11.019715      1.923981     -0.509325
  H     -12.205607      2.695509      0.552861
  H     -10.045555      3.674719      0.768228
  H      -8.271075      4.995681      1.918461
  H      -6.464483      2.111814      7.400365
  H      -9.613868      0.562342      3.725319
  N      -2.458952      1.460652      3.139556
  N      -1.860856      1.386040      2.184891
88
Coordinates from ORCA-job orca E -6723.643161623565
  N      -2.184530      0.058271      5.468057
  Mo     -3.498642      1.599884      4.911466
  N      -4.491496      1.855937      6.707806
  C      -3.816741      2.344095      7.899177
  C      -2.324046      2.139932      7.679963
  N      -1.891897      2.426572      6.261933
  C      -0.602414      1.706317      6.003419
  C      -0.853140      0.196690      5.992718
  C      -1.706079      3.891938      6.004625
  C      -3.001668      4.530630      5.548331
  N      -3.577000      3.637369      4.544759
  H      -0.103987     -0.296515      5.352620
  H      -0.772527     -0.249371      6.997699
  H      -0.261211      2.031872      5.013652
  H       0.153063      1.995363      6.752547
  H      -3.718433      4.678999      6.371647
  H      -2.809929      5.520505      5.110317
  H      -1.288213      4.379875      6.899248
  H      -0.976113      3.976940      5.188681
  H      -4.121734      1.794390      8.806088
  H      -4.052547      3.407191      8.071552
  H      -2.089244      1.088066      7.876319
  H      -1.723504      2.756011      8.367445
  C      -6.934503      1.791796     -0.724705
  C      -6.007511      1.301685      0.362377
  O      -4.874000      1.756866      0.483587
  C      -6.504418      0.251348      1.304679
  C      -7.736433     -0.403954      1.154068
  C      -8.138185     -1.370356      2.071554
  C      -7.303567     -1.684561      3.140031
  F      -7.736250     -2.602186      4.022806
  C      -6.056056     -1.061003      3.325009
  C      -5.079022     -1.501415      4.364265
  O      -5.065163     -2.646559      4.820576
  N      -4.119166     -0.555994      4.708439
  C      -2.949138     -0.976837      5.245564
  C      -5.691588     -0.091392      2.389329
  C      -7.832025     10.856758     -0.523737
  C      -7.317371      9.440589     -0.377007
  O      -7.364620      8.655206     -1.319810
  C      -6.754031      9.023172      0.943629
  C      -6.723610      9.880388      2.057550
  C      -6.203707      9.435291      3.266771
  C      -5.703514      8.137263      3.366558
  F      -5.240406      7.771837      4.579708
  C      -5.701009      7.246498      2.277725
  C      -5.205947      5.820105      2.278955
  O      -5.504315      5.088734      1.326770
  N      -4.453241      5.456613      3.383545
  C      -4.252210      4.160859      3.517756
  C      -6.245785      7.727229      1.080979
  C     -11.709537      1.725731      0.321985
  C     -10.989484      1.159254      1.526230
  O     -11.245582      0.028668      1.935484
  C      -9.948026      1.997086      2.190050
  C      -9.571667      3.259329      1.696156
  C      -8.589305      4.006156      2.336800
  C      -7.974816      3.472058      3.464572
  F      -7.090685      4.250158      4.121922
  C      -8.284100      2.200798      3.968404
  C      -7.640791      1.618920      5.191585
  O      -8.321513      0.975716      5.996146
  N      -6.274375      1.823957      5.325621
  C      -5.809067      1.898608      6.564056
  C      -9.306051      1.496104      3.330191
  H      -7.880197      2.148448     -0.290252
  H      -6.448677      2.607216     -1.270400
  H      -7.180088      0.975599     -1.421968
  H      -8.399586     -0.158157      0.324687
  H      -9.107898     -1.861258      1.991366
  H      -2.714337     -2.032942      5.432837
  H      -4.728221      0.410581      2.474992
  H      -8.651037     11.049827      0.185814
  H      -7.037635     11.586777     -0.306552
  H      -8.194154     11.001659     -1.546992
  H      -7.111104     10.897231      1.990036
  H      -6.181539     10.075147      4.149432
  H      -4.660929      3.435547      2.796735
  H      -6.268817      7.049303      0.226634
  H     -12.456697      1.002713     -0.021705
  H     -10.998713      1.931101     -0.493699
  H     -12.201534      2.678907      0.566561
  H     -10.050606      3.672375      0.808158
  H      -8.287253      4.990441      1.979183
  H      -6.478342      2.034919      7.429032
  H      -9.602390      0.524508      3.724707
  N      -2.502576      1.521809      3.133568
  N      -1.914176      1.476581      2.171020
88
Coordinates from ORCA-job orca E -6723.643315555312
  N      -2.175889      0.086100      5.442551
  Mo     -3.525261      1.609087      4.917428
  N      -4.500467      1.825863      6.728520
  C      -3.823431      2.307774      7.920398
  C      -2.329422      2.132867      7.681378
  N      -1.917599      2.448736      6.263689
  C      -0.618292      1.756504      5.982304
  C      -0.841057      0.242880      5.953320
  C      -1.762469      3.920955      6.026803
  C      -3.075233      4.538069      5.590983
  N      -3.637387      3.650084      4.575008
  H      -0.090357     -0.227382      5.297931
  H      -0.740001     -0.215362      6.951000
  H      -0.292028      2.100996      4.993746
  H       0.139259      2.049111      6.727983
  H      -3.787797      4.652763      6.423130
  H      -2.909717      5.539736      5.169411
  H      -1.347613      4.403562      6.925676
  H      -1.041676      4.034150      5.206106
  H      -4.108833      1.738728      8.821737
  H      -4.076065      3.363886      8.110859
  H      -2.074714      1.082316      7.858207
  H      -1.732072      2.748299      8.372301
  C      -7.012937      1.761916     -0.713646
  C      -6.065910      1.285929      0.362612
  O      -4.943725      1.769344      0.479597
  C      -6.531549      0.220201      1.303274
  C      -7.749605     -0.461649      1.157791
  C      -8.124460     -1.439856      2.074142
  C      -7.275760     -1.740475      3.135179
  F      -7.682800     -2.670134      4.017789
  C      -6.040923     -1.090737      3.314705
  C      -5.046567     -1.517681      4.343491
  O      -4.997755     -2.669651      4.779650
  N      -4.104149     -0.556213      4.689757
  C      -2.919493     -0.960884      5.208459
  C      -5.704056     -0.108930      2.381302
  C      -7.741103     10.914504     -0.558073
  C      -7.275288      9.483915     -0.389509
  O      -7.371227      8.679938     -1.312719
  C      -6.701311      9.075466      0.929302
  C      -6.612672      9.957440      2.020605
  C      -6.083823      9.521273      3.229089
  C      -5.633721      8.206861      3.351036
  F      -5.157168      7.853446      4.562388
  C      -5.691489      7.290147      2.285587
  C      -5.251141      5.846447      2.310610
  O      -5.586909      5.109081      1.375224
  N      -4.498837      5.477088      3.414810
  C      -4.301293      4.179670      3.544297
  C      -6.241899      7.763915      1.088298
  C     -11.694929      1.687583      0.318339
  C     -10.975653      1.114615      1.519910
  O     -11.224648     -0.022104      1.916609
  C      -9.944744      1.954543      2.197100
  C      -9.583336      3.228389      1.721988
  C      -8.611763      3.978190      2.375196
  C      -7.991844      3.434936      3.495545
  F      -7.120153      4.215124      4.167011
  C      -8.284711      2.152229      3.979579
  C      -7.637041      1.562688      5.196266
  O      -8.313158      0.906052      5.993889
  N      -6.273838      1.784643      5.340404
  C      -5.817606      1.853220      6.583766
  C      -9.297375      1.444351      3.330047
  H      -7.964228      2.091137     -0.270028
  H      -6.550866      2.593346     -1.255730
  H      -7.243150      0.945560     -1.415939
  H      -8.423424     -0.226835      0.333876
  H      -9.083984     -1.951110      1.998919
  H      -2.660422     -2.014642      5.375816
  H      -4.751655      0.413855      2.464175
  H      -8.537121     11.152997      0.163715
  H      -6.916165     11.619209     -0.373748
  H      -8.119365     11.050214     -1.576727
  H      -6.960960     10.987122      1.935979
  H      -6.015930     10.181127      4.094544
  H      -4.702959      3.458455      2.815530
  H      -6.308330      7.067217      0.251567
  H     -12.430464      0.959665     -0.039826
  H     -10.981936      1.913878     -0.489832
  H     -12.201256      2.630585      0.573133
  H     -10.066456      3.648316      0.839508
  H      -8.321226      4.971165      2.032634
  H      -6.493544      1.970927      7.446017
  H      -9.582405      0.463527      3.709813
  N      -2.548594      1.571412      3.126785
  N      -1.969397      1.548139      2.158089
88
Coordinates from ORCA-job orca E -6723.643520718602
  N      -2.155077      0.139261      5.406580
  Mo     -3.548982      1.631165      4.918648
  N      -4.518241      1.778264      6.742072
  C      -3.850800      2.269740      7.935630
  C      -2.352973      2.150074      7.684464
  N      -1.958432      2.498372      6.269945
  C      -0.643718      1.844704      5.978792
  C      -0.827765      0.325809      5.928355
  C      -1.847960      3.977747      6.051587
  C      -3.187891      4.556370      5.647946
  N      -3.731014      3.673256      4.617352
  H      -0.060485     -0.116003      5.272247
  H      -0.719731     -0.143039      6.920545
  H      -0.319088      2.207479      4.995692
  H       0.105103      2.144068      6.730706
  H      -3.884463      4.616803      6.498345
  H      -3.066819      5.573705      5.249448
  H      -1.436933      4.458445      6.953270
  H      -1.143231      4.127125      5.222693
  H      -4.109514      1.679609      8.831485
  H      -4.140527      3.313817      8.138833
  H      -2.062037      1.106275      7.841353
  H      -1.772900      2.774442      8.382307
  C      -7.150230      1.799528     -0.673223
  C      -6.155360      1.322044      0.358257
  O      -5.043269      1.833706      0.451267
  C      -6.560261      0.219223      1.283157
  C      -7.752184     -0.507027      1.139662
  C      -8.074771     -1.519624      2.037889
  C      -7.198445     -1.810902      3.077953
  F      -7.556105     -2.774146      3.946524
  C      -5.988455     -1.116144      3.256675
  C      -4.968119     -1.527879      4.266696
  O      -4.861973     -2.691582      4.658205
  N      -4.061273     -0.542044      4.636217
  C      -2.868442     -0.923303      5.147973
  C      -5.704011     -0.100094      2.342282
  C      -7.505369     11.031922     -0.634641
  C      -7.160454      9.572915     -0.423678
  O      -7.371781      8.744003     -1.304634
  C      -6.576951      9.166691      0.891440
  C      -6.355627     10.084326      1.933345
  C      -5.819277      9.653620      3.140092
  C      -5.495336      8.307789      3.309507
  F      -5.000310      7.963875      4.515934
  C      -5.691544      7.352619      2.295775
  C      -5.387344      5.877441      2.378850
  O      -5.833420      5.129472      1.498510
  N      -4.612375      5.501198      3.468362
  C      -4.398990      4.203602      3.587319
  C      -6.243253      7.823949      1.097248
  C     -11.737573      1.553564      0.360615
  C     -10.987166      0.964485      1.535078
  O     -11.189857     -0.195180      1.890689
  C      -9.982387      1.817123      2.233920
  C      -9.672932      3.118932      1.799493
  C      -8.724895      3.882222      2.470774
  C      -8.076019      3.324639      3.567451
  F      -7.230770      4.115106      4.261529
  C      -8.316298      2.016487      4.009705
  C      -7.641551      1.417892      5.206172
  O      -8.291836      0.721354      5.991698
  N      -6.287411      1.687138      5.353856
  C      -5.835267      1.755483      6.599894
  C      -9.306044      1.292437      3.342873
  H      -8.090042      2.102220     -0.188367
  H      -6.722743      2.649526     -1.214361
  H      -7.393479      0.992730     -1.381960
  H      -8.447221     -0.277660      0.332108
  H      -9.014728     -2.066271      1.966463
  H      -2.576606     -1.970803      5.299816
  H      -4.771703      0.457956      2.427657
  H      -8.247241     11.367295      0.106186
  H      -6.615033     11.666535     -0.510230
  H      -7.911484     11.162234     -1.643179
  H      -6.605472     11.138541      1.811306
  H      -5.648421     10.342471      3.967988
  H      -4.784636      3.484850      2.847996
  H      -6.410831      7.100587      0.298758
  H     -12.442940      0.809295     -0.023747
  H     -11.041678      1.845610     -0.441160
  H     -12.283272      2.461199      0.659175
  H     -10.179026      3.548757      0.934937
  H      -8.471423      4.894950      2.159992
  H      -6.516967      1.832864      7.462016
  H      -9.551927      0.288968      3.690010
  N      -2.582333      1.664298      3.120485
  N      -2.002708      1.679314      2.152537
88
Coordinates from ORCA-job orca E -6723.643770812836
  N      -2.147450      0.182706      5.367502
  Mo     -3.590838      1.643113      4.925709
  N      -4.531805      1.731605      6.766549
  C      -3.862150      2.215203      7.961197
  C      -2.365675      2.142358      7.684832
  N      -2.001426      2.529456      6.271379
  C      -0.674079      1.917774      5.948462
  C      -0.817281      0.395556      5.871300
  C      -1.934208      4.014604      6.080437
  C      -3.295083      4.563266      5.703457
  N      -3.824753      3.686598      4.660075
  H      -0.049310     -0.012842      5.194722
  H      -0.680175     -0.089014      6.852245
  H      -0.373747      2.307892      4.968259
  H       0.077984      2.223049      6.694894
  H      -3.982204      4.583682      6.563194
  H      -3.209375      5.591565      5.324527
  H      -1.525170      4.489358      6.986196
  H      -1.244166      4.198217      5.246250
  H      -4.091099      1.599350      8.847755
  H      -4.177106      3.246278      8.191125
  H      -2.045051      1.103746      7.815167
  H      -1.791788      2.767417      8.387120
  C      -7.201081      1.814888     -0.654417
  C      -6.195939      1.349676      0.372933
  O      -5.097508      1.888669      0.474091
  C      -6.570248      0.219071      1.277068
  C      -7.744523     -0.533954      1.123681
  C      -8.041616     -1.567715      2.006995
  C      -7.155682     -1.854641      3.040363
  F      -7.487711     -2.839915      3.894451
  C      -5.960972     -1.135340      3.225371
  C      -4.924191     -1.540600      4.220262
  O      -4.781789     -2.709980      4.583332
  N      -4.042544     -0.537508      4.602572
  C      -2.830487     -0.894635      5.091040
  C      -5.704018     -0.096739      2.328651
  C      -7.359757     11.078892     -0.699193
  C      -7.094506      9.610285     -0.443903
  O      -7.374903      8.765334     -1.289570
  C      -6.493822      9.217212      0.867529
  C      -6.186038     10.156668      1.867096
  C      -5.638933      9.737803      3.073139
  C      -5.389955      8.381822      3.284045
  F      -4.880182      8.054580      4.489102
  C      -5.673473      7.404025      2.312563
  C      -5.456568      5.916197      2.437770
  O      -5.963735      5.170463      1.589260
  N      -4.682697      5.526655      3.522227
  C      -4.481154      4.226150      3.630661
  C      -6.233466      7.865248      1.113896
  C     -11.763373      1.474170      0.396940
  C     -11.001973      0.882948      1.563299
  O     -11.193462     -0.280786      1.911557
  C     -10.004071      1.740396      2.266476
  C      -9.716801      3.053077      1.848995
  C      -8.774174      3.820161      2.523564
  C      -8.110189      3.256810      3.608338
  F      -7.272431      4.049302      4.309208
  C      -8.328532      1.938928      4.033208
  C      -7.641890      1.335336      5.219703
  O      -8.278882      0.618495      5.997639
  N      -6.293479      1.630650      5.376307
  C      -5.847748      1.686693      6.626044
  C      -9.312019      1.209772      3.362709
  H      -8.150495      2.083393     -0.167891
  H      -6.796010      2.685194     -1.180511
  H      -7.419264      1.012953     -1.376738
  H      -8.446326     -0.308672      0.321011
  H      -8.967357     -2.137010      1.927366
  H      -2.504692     -1.935806      5.213241
  H      -4.786400      0.483530      2.423487
  H      -8.058187     11.483287      0.049372
  H      -6.430594     11.663613     -0.623154
  H      -7.787666     11.197463     -1.700112
  H      -6.377472     11.218846      1.713083
  H      -5.402371     10.444296      3.869400
  H      -4.856543      3.515368      2.878843
  H      -6.470016      7.124707      0.349049
  H     -12.458014      0.723790      0.005032
  H     -11.073862      1.787224     -0.402303
  H     -12.322922      2.369297      0.707693
  H     -10.235831      3.487987      0.994739
  H      -8.535572      4.839964      2.224473
  H      -6.533274      1.734241      7.487006
  H      -9.540665      0.197995      3.696989
  N      -2.654885      1.735282      3.113702
  N      -2.089437      1.783378      2.138300
88
Coordinates from ORCA-job orca E -6723.644137645139
  N      -2.139652      0.236033      5.322673
  Mo     -3.628588      1.663782      4.926224
  N      -4.547517      1.686374      6.777618
  C      -3.882452      2.162925      7.977197
  C      -2.388932      2.143387      7.685848
  N      -2.049254      2.566602      6.274294
  C      -0.707855      1.997984      5.925109
  C      -0.810712      0.472898      5.817972
  C      -2.025089      4.055180      6.111461
  C      -3.404958      4.577615      5.757856
  N      -3.923504      3.706348      4.705514
  H      -0.040122      0.097706      5.125504
  H      -0.650275     -0.027191      6.787341
  H      -0.429588      2.417708      4.951459
  H       0.044825      2.307751      6.669403
  H      -4.084528      4.566356      6.623871
  H      -3.352727      5.613641      5.394591
  H      -1.618877      4.525686      7.020910
  H      -1.346059      4.266688      5.275331
  H      -4.082894      1.521280      8.852179
  H      -4.227222      3.177860      8.234993
  H      -2.037017      1.112210      7.793086
  H      -1.826404      2.771878      8.393838
  C      -7.201980      1.875328     -0.653479
  C      -6.204875      1.427364      0.388817
  O      -5.131317      2.006773      0.530035
  C      -6.554704      0.259411      1.254244
  C      -7.703114     -0.525978      1.065472
  C      -7.976588     -1.594673      1.914462
  C      -7.092379     -1.883490      2.949597
  F      -7.397817     -2.907774      3.766645
  C      -5.921069     -1.134041      3.165242
  C      -4.874892     -1.538653      4.148055
  O      -4.701968     -2.713329      4.482175
  N      -4.020410     -0.520464      4.554161
  C      -2.795966     -0.854735      5.029830
  C      -5.689711     -0.059909      2.304535
  C      -7.145922     11.124903     -0.789734
  C      -6.993900      9.652684     -0.470148
  O      -7.353852      8.796189     -1.272883
  C      -6.375968      9.271129      0.836907
  C      -5.961638     10.225499      1.781974
  C      -5.408086      9.816586      2.988559
  C      -5.257335      8.455501      3.253694
  F      -4.736365      8.146630      4.459682
  C      -5.648688      7.461203      2.335772
  C      -5.556610      5.964777      2.520181
  O      -6.168314      5.231329      1.732906
  N      -4.773573      5.554006      3.583734
  C      -4.577707      4.252408      3.677497
  C      -6.212978      7.914945      1.136744
  C     -11.866966      1.322197      0.500531
  C     -11.059746      0.738196      1.639747
  O     -11.213768     -0.433290      1.979780
  C     -10.074515      1.616389      2.336457
  C      -9.834777      2.944621      1.936861
  C      -8.898696      3.727435      2.602896
  C      -8.196549      3.167329      3.665563
  F      -7.363637      3.969947      4.360763
  C      -8.372137      1.837714      4.074458
  C      -7.653843      1.234815      5.241773
  O      -8.255265      0.477656      6.009063
  N      -6.314492      1.572849      5.395988
  C      -5.863024      1.612005      6.643128
  C      -9.346900      1.090584      3.411318
  H      -8.170599      2.104584     -0.183972
  H      -6.816023      2.768624     -1.155586
  H      -7.377221      1.079502     -1.393925
  H      -8.402138     -0.300871      0.260373
  H      -8.879486     -2.193871      1.802037
  H      -2.440113     -1.888184      5.128600
  H      -4.792815      0.546277      2.427231
  H      -7.790026     11.619163     -0.046239
  H      -6.171128     11.635081     -0.762976
  H      -7.589334     11.231697     -1.785180
  H      -6.075441     11.291632      1.585379
  H      -5.091579     10.535657      3.744750
  H      -4.933292      3.550915      2.907885
  H      -6.540467      7.164408      0.416400
  H     -12.548784      0.556824      0.115267
  H     -11.206698      1.665769     -0.310642
  H     -12.444837      2.196315      0.836742
  H     -10.385396      3.378398      1.101998
  H      -8.691457      4.756427      2.312559
  H      -6.544523      1.615447      7.508548
  H      -9.539896      0.068118      3.734301
  N      -2.717782      1.819919      3.108336
  N      -2.159856      1.905219      2.130269
88
Coordinates from ORCA-job orca E -6723.644464392875
  N      -2.130957      0.295559      5.275953
  Mo     -3.668837      1.684123      4.932364
  N      -4.556075      1.635411      6.797777
  C      -3.892903      2.111433      7.997774
  C      -2.403607      2.147762      7.686555
  N      -2.097248      2.607443      6.278302
  C      -0.744726      2.086189      5.899453
  C      -0.804155      0.561321      5.761933
  C      -2.121279      4.098563      6.145483
  C      -3.522265      4.584652      5.824424
  N      -4.029662      3.722094      4.759165
  H      -0.030949      0.223132      5.053538
  H      -0.617786      0.046699      6.719054
  H      -0.493028      2.534162      4.931221
  H       0.009310      2.402495      6.639614
  H      -4.187578      4.531876      6.700067
  H      -3.509072      5.629509      5.483266
  H      -1.715310      4.563770      7.057842
  H      -1.462483      4.347553      5.303359
  H      -4.059288      1.446776      8.862707
  H      -4.268725      3.108839      8.279634
  H      -2.016084      1.127065      7.770970
  H      -1.852625      2.782302      8.398098
  C      -7.292941      1.948751     -0.612465
  C      -6.281918      1.512092      0.421372
  O      -5.236491      2.134796      0.588039
  C      -6.583609      0.303636      1.248451
  C      -7.704971     -0.515287      1.040477
  C      -7.935008     -1.619988      1.855522
  C      -7.034097     -1.911085      2.875758
  F      -7.298092     -2.971223      3.660649
  C      -5.887819     -1.128992      3.108794
  C      -4.818660     -1.531135      4.068561
  O      -4.611720     -2.708929      4.371307
  N      -3.994602     -0.499248      4.502941
  C      -2.755956     -0.807591      4.962263
  C      -5.700193     -0.020006      2.282006
  C      -6.950973     11.136024     -0.879269
  C      -6.908004      9.671858     -0.495619
  O      -7.369915      8.814110     -1.242939
  C      -6.274847      9.298049      0.806447
  C      -5.741085     10.254307      1.687469
  C      -5.175469      9.853031      2.891129
  C      -5.132551      8.497414      3.217046
  F      -4.585871      8.199185      4.414826
  C      -5.648557      7.501122      2.365743
  C      -5.675585      6.011456      2.616683
  O      -6.392634      5.301978      1.899219
  N      -4.880604      5.581439      3.661684
  C      -4.685463      4.278057      3.737889
  C      -6.219661      7.948210      1.167593
  C     -11.882213      1.215564      0.538150
  C     -11.064181      0.628550      1.668167
  O     -11.192217     -0.552332      1.985581
  C     -10.093745      1.513081      2.377274
  C      -9.882014      2.853243      2.002232
  C      -8.957704      3.641754      2.677960
  C      -8.237467      3.075497      3.725136
  F      -7.413580      3.879745      4.428684
  C      -8.386739      1.735243      4.110331
  C      -7.651161      1.123564      5.261291
  O      -8.230404      0.333522      6.012309
  N      -6.320587      1.493098      5.422681
  C      -5.868809      1.520193      6.670232
  C      -9.350682      0.981728      3.438464
  H      -8.270533      2.129206     -0.140236
  H      -6.940445      2.869227     -1.089413
  H      -7.436554      1.166942     -1.374221
  H      -8.417313     -0.288169      0.247724
  H      -8.817373     -2.246367      1.728578
  H      -2.366074     -1.831058      5.032242
  H      -4.824056      0.612125      2.419388
  H      -7.522998     11.715223     -0.138157
  H      -5.937368     11.563500     -0.911260
  H      -7.422633     11.235113     -1.862466
  H      -5.768568     11.316081      1.442221
  H      -4.765048     10.574612      3.598192
  H      -5.029787      3.586899      2.954134
  H      -6.640470      7.197783      0.497309
  H     -12.544934      0.442001      0.136321
  H     -11.228862      1.591199     -0.264427
  H     -12.481621      2.068649      0.890493
  H     -10.445538      3.291507      1.178273
  H      -8.769142      4.679003      2.404639
  H      -6.547371      1.485135      7.537184
  H      -9.521756     -0.050471      3.742613
  N      -2.791390      1.911222      3.106399
  N      -2.246363      2.037239      2.125276
88
Coordinates from ORCA-job orca E -6723.644815738837
  N      -2.117560      0.358447      5.223030
  Mo     -3.696507      1.709043      4.927165
  N      -4.555228      1.590709      6.800962
  C      -3.895425      2.062432      8.003678
  C      -2.410939      2.151287      7.678283
  N      -2.138619      2.648047      6.276479
  C      -0.776442      2.175274      5.868926
  C      -0.794417      0.652080      5.702966
  C      -2.213238      4.140884      6.181158
  C      -3.633086      4.588046      5.891290
  N      -4.123626      3.738220      4.807867
  H      -0.019269      0.349832      4.980590
  H      -0.583859      0.125956      6.648980
  H      -0.556056      2.651361      4.906329
  H      -0.021549      2.499301      6.604488
  H      -4.288629      4.492970      6.770874
  H      -3.656498      5.641452      5.576605
  H      -1.810972      4.598612      7.099043
  H      -1.574588      4.433893      5.337056
  H      -4.030615      1.374200      8.855850
  H      -4.300317      3.040333      8.312728
  H      -1.988471      1.142188      7.740879
  H      -1.871743      2.791550      8.393462
  C      -7.383796      2.071181     -0.556370
  C      -6.383007      1.663374      0.498873
  O      -5.395830      2.354553      0.737153
  C      -6.619235      0.394543      1.253597
  C      -7.702689     -0.462191      1.004045
  C      -7.880749     -1.615066      1.762429
  C      -6.964472     -1.918695      2.765742
  F      -7.185993     -3.022898      3.500243
  C      -5.851022     -1.102148      3.036598
  C      -4.760769     -1.508147      3.974000
  O      -4.533139     -2.687172      4.255321
  N      -3.963239     -0.469323      4.442800
  C      -2.716670     -0.755301      4.894642
  C      -5.716169      0.054377      2.265124
  C      -6.694738     11.114230     -1.003675
  C      -6.754853      9.667192     -0.562372
  O      -7.294843      8.819275     -1.267540
  C      -6.152689      9.300797      0.756327
  C      -5.539452     10.246563      1.596114
  C      -5.000907      9.849605      2.813963
  C      -5.065345      8.509184      3.194405
  F      -4.525563      8.210463      4.396579
  C      -5.669460      7.526422      2.390245
  C      -5.799936      6.053053      2.701025
  O      -6.607057      5.376386      2.050346
  N      -4.999156      5.603604      3.728532
  C      -4.785696      4.302231      3.789103
  C      -6.208909      7.967888      1.176119
  C     -11.906755      1.090278      0.593598
  C     -11.070646      0.499455      1.708446
  O     -11.151994     -0.695348      1.986160
  C     -10.129037      1.395576      2.440875
  C      -9.965631      2.752948      2.106544
  C      -9.065599      3.553100      2.801448
  C      -8.315856      2.981126      3.824271
  F      -7.511475      3.789922      4.543112
  C      -8.419018      1.625368      4.169833
  C      -7.649964      0.999901      5.289585
  O      -8.188026      0.157942      6.014319
  N      -6.330977      1.411279      5.448147
  C      -5.864290      1.424549      6.689240
  C      -9.361527      0.859155      3.481663
  H      -8.387219      2.165554     -0.115117
  H      -7.081613      3.032654     -0.984161
  H      -7.445922      1.313292     -1.352392
  H      -8.430176     -0.224403      0.228182
  H      -8.738561     -2.268737      1.607005
  H      -2.298117     -1.768939      4.941558
  H      -4.868155      0.716173      2.431056
  H      -7.215602     11.763761     -0.283591
  H      -5.653124     11.464897     -1.061081
  H      -7.167962     11.207858     -1.986765
  H      -5.479350     11.295548      1.305319
  H      -4.525749     10.562599      3.488455
  H      -5.106968      3.622105      2.986245
  H      -6.690438      7.227429      0.536484
  H     -12.542186      0.306180      0.168768
  H     -11.265093      1.510110     -0.196765
  H     -12.535199      1.912598      0.967624
  H     -10.549362      3.196109      1.299161
  H      -8.913550      4.604082      2.559232
  H      -6.528011      1.344286      7.564895
  H      -9.493015     -0.187909      3.754552
  N      -2.848892      2.001905      3.100795
  N      -2.312234      2.167321      2.120678
88
Coordinates from ORCA-job orca E -6723.645049301989
  N      -2.115069      0.419353      5.177926
  Mo     -3.733280      1.734531      4.936804
  N      -4.557361      1.545498      6.820880
  C      -3.893463      1.999069      8.027410
  C      -2.416468      2.138114      7.682172
  N      -2.179907      2.679975      6.290731
  C      -0.812803      2.254215      5.851891
  C      -0.793974      0.736120      5.648967
  C      -2.297275      4.172243      6.237769
  C      -3.733190      4.583291      5.978720
  N      -4.211177      3.755207      4.872233
  H      -0.020389      0.472430      4.909945
  H      -0.557211      0.193160      6.579152
  H      -0.619472      2.758921      4.897681
  H      -0.055797      2.579802      6.584543
  H      -4.372950      4.437102      6.862229
  H      -3.791076      5.645306      5.698664
  H      -1.896158      4.615264      7.163338
  H      -1.680657      4.510343      5.393914
  H      -3.997431      1.282431      8.860450
  H      -4.319582      2.956001      8.371330
  H      -1.964892      1.140544      7.711710
  H      -1.884264      2.774261      8.406374
  C      -7.448697      2.133801     -0.541182
  C      -6.448483      1.739105      0.519666
  O      -5.504213      2.472069      0.803261
  C      -6.641809      0.441762      1.236498
  C      -7.700082     -0.439554      0.965595
  C      -7.842316     -1.616486      1.693746
  C      -6.913479     -1.921551      2.684837
  F      -7.100293     -3.052342      3.387887
  C      -5.823680     -1.080677      2.976238
  C      -4.720328     -1.480624      3.902195
  O      -4.447332     -2.660118      4.135024
  N      -3.946774     -0.434775      4.393315
  C      -2.686221     -0.699369      4.822295
  C      -5.726822      0.100803      2.237310
  C      -6.553879     11.053271     -1.095515
  C      -6.704035      9.636858     -0.582399
  O      -7.331282      8.800408     -1.226454
  C      -6.076201      9.286399      0.728403
  C      -5.355595     10.219133      1.494516
  C      -4.795824      9.838247      2.707858
  C      -4.944380      8.525724      3.155620
  F      -4.378245      8.240412      4.349064
  C      -5.658012      7.557873      2.427623
  C      -5.881649      6.114063      2.813338
  O      -6.769083      5.472346      2.234836
  N      -5.069025      5.645364      3.821656
  C      -4.861865      4.342693      3.860353
  C      -6.216203      7.982995      1.216086
  C     -11.919328      1.020382      0.626306
  C     -11.061154      0.423357      1.720974
  O     -11.113984     -0.778968      1.972247
  C     -10.140338      1.325371      2.471936
  C     -10.016001      2.694569      2.171520
  C      -9.135870      3.501649      2.883133
  C      -8.366935      2.925970      3.889401
  F      -7.585515      3.740571      4.626140
  C      -8.429792      1.558967      4.200435
  C      -7.641984      0.925999      5.302804
  O      -8.156457      0.051755      6.006107
  N      -6.331922      1.362870      5.470670
  C      -5.863023      1.353495      6.712409
  C      -9.352860      0.784149      3.495291
  H      -8.462220      2.171239     -0.115111
  H      -7.182418      3.119711     -0.935702
  H      -7.464442      1.397406     -1.359252
  H      -8.436904     -0.201823      0.198497
  H      -8.683048     -2.288956      1.525554
  H      -2.239003     -1.701732      4.835032
  H      -4.899212      0.783374      2.421166
  H      -6.994163     11.773063     -0.388651
  H      -5.492219     11.319974     -1.209583
  H      -7.059028     11.137836     -2.063445
  H      -5.229137     11.245771      1.150129
  H      -4.238983     10.542463      3.326848
  H      -5.176422      3.680241      3.040474
  H      -6.781653      7.253698      0.634862
  H     -12.535535      0.230600      0.183965
  H     -11.294457      1.479132     -0.155699
  H     -12.568206      1.814497      1.025587
  H     -10.614955      3.141514      1.377566
  H      -9.012373      4.561769      2.667045
  H      -6.521930      1.233761      7.586872
  H      -9.453626     -0.272916      3.741435
  N      -2.919443      2.096512      3.107985
  N      -2.396136      2.301531      2.127977
88
Coordinates from ORCA-job orca E -6723.645191622796
  N      -2.112884      0.424419      5.174192
  Mo     -3.736140      1.735909      4.936391
  N      -4.559334      1.536413      6.821413
  C      -3.890709      1.968006      8.033203
  C      -2.415024      2.115500      7.683327
  N      -2.185528      2.676421      6.299221
  C      -0.817681      2.263316      5.852514
  C      -0.790962      0.747222      5.640116
  C      -2.311614      4.169033      6.264152
  C      -3.748720      4.571361      6.001967
  N      -4.214065      3.755954      4.880562
  H      -0.019484      0.493681      4.895235
  H      -0.545610      0.200442      6.565581
  H      -0.631732      2.775095      4.900007
  H      -0.060953      2.589377      6.585193
  H      -4.392437      4.406321      6.878362
  H      -3.808687      5.637435      5.737882
  H      -1.917734      4.602024      7.197472
  H      -1.695680      4.526034      5.427569
  H      -3.990986      1.235306      8.852630
  H      -4.315380      2.917671      8.398135
  H      -1.960044      1.120124      7.698226
  H      -1.881707      2.743628      8.413985
  C      -7.427575      2.112086     -0.563244
  C      -6.458031      1.738941      0.532984
  O      -5.549458      2.499472      0.858261
  C      -6.638556      0.432350      1.235359
  C      -7.680987     -0.462832      0.948074
  C      -7.814893     -1.643645      1.671848
  C      -6.890445     -1.942093      2.668772
  F      -7.064418     -3.083468      3.357996
  C      -5.813867     -1.089056      2.973886
  C      -4.712809     -1.482375      3.905880
  O      -4.426515     -2.659884      4.129632
  N      -3.941798     -0.434326      4.392593
  C      -2.677347     -0.694235      4.812593
  C      -5.729720      0.098456      2.244030
  C      -6.556235     11.051228     -1.113798
  C      -6.705372      9.636737     -0.595630
  O      -7.328101      8.795850     -1.238348
  C      -6.074299      9.292077      0.714678
  C      -5.356518     10.230256      1.477411
  C      -4.793241      9.856491      2.691342
  C      -4.933082      8.544018      3.140883
  F      -4.371068      8.261128      4.336531
  C      -5.640818      7.571000      2.415420
  C      -5.852018      6.127527      2.804328
  O      -6.726609      5.473737      2.220182
  N      -5.043847      5.659257      3.816933
  C      -4.842981      4.358474      3.861715
  C      -6.204991      7.988027      1.204000
  C     -11.951278      1.046087      0.651031
  C     -11.084762      0.440686      1.734459
  O     -11.132858     -0.764268      1.974365
  C     -10.157007      1.336678      2.483748
  C     -10.031868      2.706507      2.187582
  C      -9.150237      3.510174      2.900926
  C      -8.381753      2.930062      3.904927
  F      -7.602714      3.741069      4.647136
  C      -8.440658      1.561876      4.208077
  C      -7.649832      0.929788      5.308859
  O      -8.163206      0.057083      6.015028
  N      -6.340061      1.368270      5.473938
  C      -5.866375      1.350791      6.714699
  C      -9.364391      0.789609      3.501016
  H      -8.457436      2.114190     -0.176924
  H      -7.177032      3.108726     -0.940711
  H      -7.388023      1.381229     -1.385449
  H      -8.412033     -0.233390      0.172797
  H      -8.646586     -2.325357      1.496252
  H      -2.226143     -1.694879      4.815826
  H      -4.914713      0.793660      2.439735
  H      -6.994142     11.773717     -0.408227
  H      -5.494738     11.316896     -1.231478
  H      -7.063420     11.132382     -2.080964
  H      -5.238015     11.257292      1.131359
  H      -4.242081     10.566206      3.309141
  H      -5.159668      3.701479      3.038306
  H      -6.768854      7.253718      0.626908
  H     -12.573188      0.260351      0.209303
  H     -11.331850      1.507437     -0.133604
  H     -12.594618      1.839822      1.059476
  H     -10.632223      3.157998      1.397495
  H      -9.029689      4.572048      2.692705
  H      -6.522291      1.225220      7.590272
  H      -9.463800     -0.268437      3.742678
  N      -2.919866      2.104451      3.112518
  N      -2.394228      2.314753      2.134580
88
Coordinates from ORCA-job orca E -6723.645327841019
  N      -2.114641      0.476613      5.141397
  Mo     -3.771576      1.753003      4.938374
  N      -4.563103      1.512601      6.830533
  C      -3.888923      1.934939      8.042215
  C      -2.421936      2.122139      7.674917
  N      -2.222718      2.709861      6.296563
  C      -0.851793      2.336111      5.824257
  C      -0.792749      0.823929      5.589152
  C      -2.383504      4.198435      6.287777
  C      -3.833188      4.569895      6.045610
  N      -4.288373      3.764992      4.912762
  H      -0.028432      0.598195      4.828173
  H      -0.519038      0.270186      6.502321
  H      -0.691186      2.865892      4.877372
  H      -0.091899      2.669109      6.550701
  H      -4.464192      4.370006      6.924139
  H      -3.922407      5.638822      5.802512
  H      -1.990539      4.625316      7.224347
  H      -1.783745      4.582302      5.451618
  H      -3.961279      1.183833      8.847622
  H      -4.329224      2.867180      8.432861
  H      -1.945146      1.137076      7.667317
  H      -1.892800      2.749796      8.408888
  C      -7.491970      2.102677     -0.546177
  C      -6.526186      1.750226      0.559970
  O      -5.633956      2.528081      0.890508
  C      -6.671658      0.430149      1.244675
  C      -7.691171     -0.488505      0.947995
  C      -7.793794     -1.680690      1.658523
  C      -6.858779     -1.967431      2.649135
  F      -7.001743     -3.120883      3.325481
  C      -5.801473     -1.091911      2.958967
  C      -4.681402     -1.472485      3.872076
  O      -4.372389     -2.647048      4.083642
  N      -3.931807     -0.413623      4.367810
  C      -2.655362     -0.649675      4.769711
  C      -5.751221      0.107071      2.245845
  C      -6.451085     11.052853     -1.138684
  C      -6.651605      9.655694     -0.591437
  O      -7.333100      8.835640     -1.200414
  C      -6.008722      9.305963      0.711841
  C      -5.228091     10.221962      1.438781
  C      -4.655222      9.844791      2.647186
  C      -4.850417      8.550496      3.127611
  F      -4.272870      8.262742      4.314759
  C      -5.622391      7.599679      2.438233
  C      -5.895470      6.176129      2.859910
  O      -6.813363      5.555106      2.308047
  N      -5.091373      5.686274      3.864029
  C      -4.907280      4.383293      3.896962
  C      -6.192407      8.019865      1.230654
  C     -11.961033      1.007075      0.668140
  C     -11.080697      0.397000      1.737824
  O     -11.126024     -0.809031      1.972875
  C     -10.153386      1.291765      2.489378
  C     -10.034625      2.664352      2.202492
  C      -9.152213      3.466400      2.916997
  C      -8.377838      2.882014      3.914303
  F      -7.597225      3.689303      4.659185
  C      -8.431696      1.511532      4.208655
  C      -7.638415      0.877196      5.305865
  O      -8.147447     -0.000789      6.008693
  N      -6.335607      1.331324      5.482433
  C      -5.866107      1.305747      6.725160
  C      -9.355166      0.740670      3.499988
  H      -8.525629      2.083952     -0.170198
  H      -7.258287      3.104300     -0.921632
  H      -7.429301      1.372168     -1.367269
  H      -8.428431     -0.269436      0.175702
  H      -8.606848     -2.382555      1.475578
  H      -2.180253     -1.638789      4.750422
  H      -4.954939      0.821367      2.449557
  H      -6.835054     11.806790     -0.434461
  H      -5.381953     11.265989     -1.289460
  H      -6.980379     11.141789     -2.093193
  H      -5.066545     11.234467      1.068428
  H      -4.054422     10.537952      3.236792
  H      -5.220560      3.738481      3.062726
  H      -6.804154      7.302960      0.681257
  H     -12.583948      0.222172      0.226374
  H     -11.351682      1.477666     -0.118810
  H     -12.603738      1.794575      1.089561
  H     -10.640050      3.119394      1.418319
  H      -9.035091      4.529926      2.715439
  H      -6.520993      1.158051      7.597945
  H      -9.449725     -0.319320      3.734640
  N      -2.986703      2.160903      3.111436
  N      -2.475468      2.395785      2.131224
88
Coordinates from ORCA-job orca E -6723.645421990033
  N      -2.126901      0.489824      5.128228
  Mo     -3.786911      1.765054      4.935051
  N      -4.562338      1.528394      6.835208
  C      -3.879573      1.954905      8.040486
  C      -2.416239      2.144620      7.661269
  N      -2.226886      2.727182      6.279135
  C      -0.859521      2.353103      5.795780
  C      -0.800851      0.840056      5.561935
  C      -2.388235      4.215170      6.266300
  C      -3.840841      4.585083      6.035160
  N      -4.305465      3.777065      4.908772
  H      -0.043890      0.613498      4.793956
  H      -0.517666      0.287563      6.472965
  H      -0.706831      2.881381      4.847076
  H      -0.093560      2.687942      6.515032
  H      -4.464159      4.386090      6.919834
  H      -3.932699      5.653434      5.790944
  H      -1.987095      4.645904      7.197647
  H      -1.795236      4.594253      5.423349
  H      -3.943071      1.204543      8.847117
  H      -4.319097      2.886584      8.433574
  H      -1.937567      1.160338      7.653888
  H      -1.883324      2.775723      8.389393
  C      -7.540878      2.032302     -0.574280
  C      -6.573800      1.710109      0.539911
  O      -5.699815      2.508949      0.869604
  C      -6.705958      0.397827      1.241316
  C      -7.717072     -0.532787      0.953852
  C      -7.809749     -1.717874      1.676443
  C      -6.872546     -1.985847      2.669911
  F      -7.006833     -3.132516      3.359518
  C      -5.822319     -1.098302      2.970433
  C      -4.697212     -1.466730      3.881498
  O      -4.385845     -2.639895      4.100278
  N      -3.948593     -0.404048      4.371356
  C      -2.669935     -0.638534      4.762695
  C      -5.782360      0.094442      2.246224
  C      -6.377260     11.114838     -1.107744
  C      -6.595852      9.715376     -0.573077
  O      -7.270601      8.903195     -1.199735
  C      -5.972342      9.350436      0.735688
  C      -5.197668     10.255858      1.481515
  C      -4.642964      9.865556      2.694182
  C      -4.852454      8.568578      3.160863
  F      -4.292896      8.267153      4.353056
  C      -5.620392      7.627500      2.452686
  C      -5.906592      6.202858      2.862241
  O      -6.828384      5.592689      2.305672
  N      -5.102312      5.699621      3.859624
  C      -4.929876      4.395714      3.896149
  C      -6.170073      8.060657      1.240113
  C     -11.945263      0.944757      0.668891
  C     -11.068584      0.350709      1.750581
  O     -11.115489     -0.851531      2.003905
  C     -10.139821      1.255344      2.488729
  C     -10.009509      2.620624      2.173433
  C      -9.125334      3.431553      2.875925
  C      -8.362240      2.863105      3.891083
  F      -7.580336      3.679961      4.624243
  C      -8.427997      1.499667      4.214083
  C      -7.642687      0.882533      5.326886
  O      -8.159549      0.021511      6.044959
  N      -6.337466      1.331164      5.496841
  C      -5.864371      1.315018      6.738502
  C      -9.352756      0.720598      3.516418
  H      -8.575656      2.002898     -0.201733
  H      -7.321035      3.031832     -0.963581
  H      -7.464204      1.290688     -1.384034
  H      -8.456029     -0.328017      0.179408
  H      -8.615221     -2.429900      1.499866
  H      -2.194726     -1.627400      4.739104
  H      -4.993400      0.818746      2.443238
  H      -6.764576     11.866462     -0.402960
  H      -5.304537     11.320606     -1.242718
  H      -6.893073     11.214828     -2.068501
  H      -5.025607     11.270539      1.122086
  H      -4.046329     10.550517      3.297381
  H      -5.257151      3.749921      3.067797
  H      -6.774542      7.351546      0.673829
  H     -12.570060      0.154358      0.239913
  H     -11.333100      1.399381     -0.125289
  H     -12.585715      1.741781      1.075660
  H     -10.606226      3.063198      1.375473
  H      -8.998827      4.489643      2.652553
  H      -6.515495      1.173452      7.615127
  H      -9.455195     -0.333891      3.771773
  N      -3.015772      2.167840      3.101604
  N      -2.511907      2.400942      2.116865
88
Coordinates from ORCA-job orca E -6723.645498373224
  N      -2.133706      0.494787      5.125723
  Mo     -3.800399      1.764676      4.934123
  N      -4.563543      1.535798      6.840886
  C      -3.873088      1.961725      8.041171
  C      -2.412255      2.152901      7.651241
  N      -2.232717      2.735094      6.268189
  C      -0.867528      2.364554      5.776626
  C      -0.804845      0.851610      5.544928
  C      -2.399215      4.222353      6.255380
  C      -3.854028      4.585814      6.028046
  N      -4.317512      3.777287      4.901112
  H      -0.054466      0.626315      4.770171
  H      -0.510714      0.301821      6.454284
  H      -0.722717      2.891944      4.826126
  H      -0.098153      2.703311      6.490308
  H      -4.474619      4.381953      6.913828
  H      -3.950156      5.654237      5.786261
  H      -1.996812      4.654938      7.185256
  H      -1.810688      4.603391      5.410103
  H      -3.929803      1.209975      8.846920
  H      -4.310558      2.892918      8.438000
  H      -1.932183      1.169101      7.640852
  H      -1.875429      2.784959      8.375663
  C      -7.543706      1.947026     -0.612896
  C      -6.591155      1.653823      0.522207
  O      -5.731235      2.467717      0.851719
  C      -6.719037      0.350884      1.241807
  C      -7.728598     -0.585582      0.967884
  C      -7.818988     -1.760487      1.707306
  C      -6.879836     -2.013595      2.702686
  F      -7.013252     -3.149508      3.409959
  C      -5.830533     -1.120407      2.989771
  C      -4.702762     -1.477032      3.902273
  O      -4.386302     -2.647792      4.127791
  N      -3.956325     -0.408539      4.382372
  C      -2.673161     -0.636344      4.764666
  C      -5.793428      0.062985      2.249860
  C      -6.370370     11.169673     -1.070566
  C      -6.582521      9.762167     -0.554487
  O      -7.251322      8.954415     -1.193096
  C      -5.960375      9.383718      0.751268
  C      -5.192667     10.283661      1.510645
  C      -4.639779      9.881722      2.720460
  C      -4.844783      8.578384      3.170903
  F      -4.289043      8.264986      4.361546
  C      -5.605661      7.642258      2.448466
  C      -5.888518      6.213133      2.841987
  O      -6.806347      5.606027      2.275503
  N      -5.089798      5.704797      3.842292
  C      -4.929186      4.399917      3.883952
  C      -6.153448      8.086863      1.239184
  C     -11.934476      0.947322      0.663392
  C     -11.062023      0.355779      1.749779
  O     -11.114480     -0.844733      2.010002
  C     -10.129380      1.260568      2.482844
  C      -9.991272      2.622752      2.157499
  C      -9.108856      3.435931      2.859681
  C      -8.355101      2.871702      3.883936
  F      -7.581863      3.692514      4.621617
  C      -8.424553      1.510079      4.214055
  C      -7.645272      0.898469      5.334534
  O      -8.169784      0.047312      6.058918
  N      -6.337025      1.338748      5.503564
  C      -5.865075      1.322598      6.746826
  C      -9.348462      0.729477      3.517062
  H      -8.584189      1.912183     -0.257708
  H      -7.328027      2.942058     -1.015637
  H      -7.445213      1.192664     -1.408341
  H      -8.469569     -0.392219      0.192575
  H      -8.623958     -2.476296      1.542681
  H      -2.194411     -1.623431      4.736985
  H      -5.006443      0.792021      2.437082
  H      -6.759762     11.910209     -0.355384
  H      -5.298504     11.381172     -1.203534
  H      -6.887212     11.280501     -2.029576
  H      -5.024594     11.303560      1.164128
  H      -4.048494     10.562521      3.333534
  H      -5.263609      3.753998      3.058574
  H      -6.752425      7.381351      0.662300
  H     -12.563671      0.157648      0.239621
  H     -11.319222      1.392621     -0.133827
  H     -12.570199      1.751118      1.064271
  H     -10.582234      3.062130      1.353429
  H      -8.978584      4.493019      2.631265
  H      -6.517378      1.186350      7.623188
  H      -9.455798     -0.323116      3.778883
  N      -3.039863      2.158183      3.094764
  N      -2.542078      2.386724      2.105790
88
Coordinates from ORCA-job orca E -6723.645555204448
  N      -2.140305      0.510812      5.116294
  Mo     -3.817763      1.770742      4.932763
  N      -4.564875      1.539711      6.846028
  C      -3.865879      1.959790      8.042710
  C      -2.408816      2.158314      7.640693
  N      -2.243841      2.748742      6.259692
  C      -0.880426      2.388775      5.756494
  C      -0.809458      0.876693      5.520902
  C      -2.421824      4.234710      6.255999
  C      -3.880959      4.585984      6.038183
  N      -4.340783      3.782048      4.906313
  H      -0.066193      0.657790      4.737523
  H      -0.501305      0.327495      6.426079
  H      -0.746022      2.920100      4.806479
  H      -0.107898      2.730531      6.465336
  H      -4.495328      4.367713      6.924653
  H      -3.987949      5.655470      5.806344
  H      -2.018949      4.665892      7.186303
  H      -1.840664      4.625314      5.409888
  H      -3.912742      1.202203      8.843608
  H      -4.302924      2.887094      8.449031
  H      -1.925060      1.176434      7.620470
  H      -1.868169      2.788623      8.363855
  C      -7.566434      1.881863     -0.634286
  C      -6.628131      1.616511      0.519993
  O      -5.792835      2.451569      0.859396
  C      -6.739542      0.315450      1.245586
  C      -7.738960     -0.633446      0.977440
  C      -7.819561     -1.802947      1.726581
  C      -6.877650     -2.040189      2.723079
  F      -7.000202     -3.172105      3.438523
  C      -5.834711     -1.136568      3.001150
  C      -4.701013     -1.480382      3.911093
  O      -4.372878     -2.647904      4.137156
  N      -3.960804     -0.404984      4.385073
  C      -2.673686     -0.623751      4.758024
  C      -5.809960      0.043139      2.254472
  C      -6.338857     11.212863     -1.046537
  C      -6.557592      9.803189     -0.539137
  O      -7.231831      9.003057     -1.181564
  C      -5.934045      9.412746      0.762512
  C      -5.158336     10.303237      1.524650
  C      -4.606705      9.891887      2.731966
  C      -4.819980      8.587897      3.176373
  F      -4.266636      8.265915      4.365797
  C      -5.588295      7.660497      2.450132
  C      -5.884536      6.233318      2.840216
  O      -6.809128      5.636583      2.273689
  N      -5.090492      5.717334      3.839917
  C      -4.940028      4.411780      3.883227
  C      -6.135784      8.114927      1.244476
  C     -11.932843      0.931984      0.665576
  C     -11.058910      0.344046      1.752716
  O     -11.116878     -0.854106      2.022492
  C     -10.120465      1.250110      2.476599
  C      -9.976780      2.608933      2.139747
  C      -9.094626      3.425785      2.838064
  C      -8.347817      2.867819      3.870616
  F      -7.578966      3.693323      4.607827
  C      -8.418345      1.508207      4.208875
  C      -7.643267      0.904360      5.336600
  O      -8.171498      0.058853      6.064921
  N      -6.334574      1.342777      5.507470
  C      -5.865532      1.325360      6.753295
  C      -9.341500      0.724098      3.514947
  H      -8.612649      1.831184     -0.298213
  H      -7.361790      2.876893     -1.042574
  H      -7.439993      1.122016     -1.420535
  H      -8.482575     -0.452213      0.201848
  H      -8.618487     -2.527017      1.568389
  H      -2.188388     -1.607441      4.724548
  H      -5.029846      0.780771      2.436609
  H      -6.718549     11.951241     -0.323987
  H      -5.266204     11.417421     -1.184312
  H      -6.860255     11.334064     -2.001805
  H      -4.984136     11.323761      1.182910
  H      -4.010391     10.566061      3.347481
  H      -5.274710      3.769263      3.055305
  H      -6.743938      7.417631      0.666880
  H     -12.570175      0.143122      0.252591
  H     -11.318685      1.364831     -0.139420
  H     -12.559891      1.744561      1.062303
  H     -10.564291      3.043351      1.330498
  H      -8.960244      4.480820      2.601922
  H      -6.519175      1.185368      7.627782
  H      -9.451855     -0.326436      3.784005
  N      -3.072857      2.163702      3.087737
  N      -2.582499      2.392849      2.095087
88
Coordinates from ORCA-job orca E -6723.645604417105
  N      -2.144301      0.527362      5.107370
  Mo     -3.835817      1.773004      4.931800
  N      -4.565928      1.540660      6.851748
  C      -3.861543      1.961912      8.044009
  C      -2.408450      2.169345      7.631553
  N      -2.257607      2.764204      6.250831
  C      -0.895204      2.416403      5.737044
  C      -0.812724      0.905316      5.498539
  C      -2.448963      4.248199      6.251572
  C      -3.912105      4.586444      6.039571
  N      -4.367530      3.782711      4.905016
  H      -0.075562      0.694256      4.707338
  H      -0.490230      0.357881      6.399841
  H      -0.772844      2.951037      4.787195
  H      -0.120197      2.763735      6.440547
  H      -4.522620      4.358506      6.926005
  H      -4.029614      5.655854      5.812541
  H      -2.046564      4.681461      7.181161
  H      -1.874984      4.645949      5.403812
  H      -3.898388      1.202674      8.843825
  H      -4.300715      2.886468      8.454122
  H      -1.919182      1.190422      7.606160
  H      -1.866671      2.801564      8.352255
  C      -7.591620      1.812124     -0.653861
  C      -6.663085      1.573385      0.514611
  O      -5.847283      2.426127      0.856812
  C      -6.757983      0.275606      1.248606
  C      -7.753092     -0.681807      0.995026
  C      -7.825093     -1.843158      1.757762
  C      -6.876685     -2.064886      2.751676
  F      -6.989656     -3.188894      3.480924
  C      -5.835258     -1.154606      3.012082
  C      -4.693260     -1.486625      3.915911
  O      -4.353286     -2.650896      4.141241
  N      -3.960699     -0.404270      4.385608
  C      -2.668496     -0.611393      4.749554
  C      -5.820255      0.018058      2.253786
  C      -6.307624     11.258100     -1.016229
  C      -6.529239      9.844005     -0.522571
  O      -7.203503      9.050869     -1.173545
  C      -5.907431      9.440204      0.775932
  C      -5.127819     10.321141      1.544925
  C      -4.578806      9.898026      2.749441
  C      -4.798442      8.591858      3.184160
  F      -4.245225      8.259217      4.370899
  C      -5.570782      7.673473      2.450426
  C      -5.876186      6.245088      2.830981
  O      -6.800851      5.655700      2.256869
  N      -5.091673      5.722535      3.833512
  C      -4.951985      4.415782      3.877161
  C      -6.115836      8.139919      1.248427
  C     -11.926582      0.925479      0.663161
  C     -11.056744      0.339951      1.754979
  O     -11.120869     -0.856101      2.032152
  C     -10.112982      1.245716      2.472332
  C      -9.965170      2.602488      2.129030
  C      -9.081967      3.420701      2.824609
  C      -8.338915      2.865207      3.861141
  F      -7.573137      3.692856      4.599335
  C      -8.410017      1.506482      4.203084
  C      -7.637264      0.905109      5.333631
  O      -8.168107      0.062595      6.063433
  N      -6.328139      1.342162      5.508287
  C      -5.865291      1.324276      6.758050
  C      -9.334242      0.721451      3.511691
  H      -8.641454      1.751222     -0.330802
  H      -7.395993      2.805299     -1.070918
  H      -7.445018      1.045185     -1.429752
  H      -8.502084     -0.512458      0.221970
  H      -8.620551     -2.573505      1.610986
  H      -2.173989     -1.590187      4.709464
  H      -5.042591      0.760800      2.424199
  H      -6.681988     11.990645     -0.285042
  H      -5.234566     11.459864     -1.155521
  H      -6.831433     11.390793     -1.968627
  H      -4.948129     11.343148      1.210565
  H      -3.979149     10.564765      3.369783
  H      -5.283265      3.775434      3.046523
  H      -6.729420      7.450798      0.666599
  H     -12.568941      0.137667      0.255954
  H     -11.309543      1.348093     -0.145158
  H     -12.548078      1.745282      1.053591
  H     -10.550221      3.034274      1.316679
  H      -8.943723      4.474378      2.584281
  H      -6.522702      1.181235      7.628942
  H      -9.445782     -0.328323      3.783459
  N      -3.107767      2.164277      3.080162
  N      -2.625620      2.392712      2.083195
88
Coordinates from ORCA-job orca E -6723.645647787797
  N      -2.146106      0.539019      5.101160
  Mo     -3.849637      1.772278      4.932881
  N      -4.564617      1.540430      6.859204
  C      -3.855683      1.962044      8.047995
  C      -2.405825      2.174516      7.626092
  N      -2.267371      2.774548      6.246466
  C      -0.906303      2.438207      5.722563
  C      -0.813916      0.928036      5.479906
  C      -2.470944      4.256670      6.253380
  C      -3.937349      4.582870      6.046301
  N      -4.387043      3.780759      4.908167
  H      -0.083227      0.725139      4.680656
  H      -0.477366      0.381828      6.376746
  H      -0.794915      2.976619      4.773448
  H      -0.128867      2.789710      6.421423
  H      -4.544715      4.344256      6.931781
  H      -4.065144      5.652349      5.825369
  H      -2.070427      4.690445      7.183590
  H      -1.902889      4.662960      5.405620
  H      -3.885260      1.202056      8.847362
  H      -4.295323      2.885263      8.460468
  H      -1.914088      1.197229      7.594943
  H      -1.861366      2.806582      8.345011
  C      -7.618666      1.732787     -0.669859
  C      -6.692201      1.518323      0.505286
  O      -5.891080      2.386105      0.843929
  C      -6.770656      0.225668      1.249909
  C      -7.762243     -0.739473      1.013394
  C      -7.826598     -1.890703      1.791810
  C      -6.872085     -2.095534      2.783407
  F      -6.976397     -3.209331      3.529484
  C      -5.832539     -1.178446      3.025302
  C      -4.683532     -1.496986      3.925140
  O      -4.331915     -2.657443      4.151374
  N      -3.958371     -0.407185      4.389387
  C      -2.662987     -0.603831      4.746456
  C      -5.825928     -0.014983      2.252685
  C      -6.302792     11.290695     -0.988639
  C      -6.520525      9.871223     -0.508999
  O      -7.194499      9.083302     -1.166552
  C      -5.898292      9.456965      0.786003
  C      -5.116013     10.331063      1.560074
  C      -4.565887      9.897864      2.760427
  C      -4.787043      8.589007      3.186285
  F      -4.229485      8.247921      4.368778
  C      -5.562496      7.677241      2.447500
  C      -5.869813      6.245780      2.818911
  O      -6.787986      5.657133      2.233288
  N      -5.094790      5.722473      3.827825
  C      -4.959684      4.414857      3.873798
  C      -6.108452      8.153868      1.249985
  C     -11.905909      0.959189      0.645254
  C     -11.040556      0.367726      1.737527
  O     -11.113060     -0.827815      2.014803
  C     -10.097171      1.269187      2.460666
  C      -9.949618      2.628014      2.125511
  C      -9.069753      3.443076      2.828812
  C      -8.328993      2.881492      3.863632
  F      -7.569050      3.705971      4.611780
  C      -8.396782      1.520346      4.195331
  C      -7.625478      0.912204      5.322939
  O      -8.158810      0.067314      6.047998
  N      -6.316059      1.347092      5.505914
  C      -5.863009      1.325275      6.760900
  C      -9.319638      0.738945      3.497918
  H      -8.669941      1.666711     -0.351907
  H      -7.430660      2.722636     -1.098324
  H      -7.461716      0.957454     -1.435346
  H      -8.515856     -0.583706      0.241875
  H      -8.619796     -2.625825      1.658103
  H      -2.160160     -1.578197      4.703469
  H      -5.050429      0.732461      2.410762
  H      -6.673237     12.015757     -0.248107
  H      -5.230480     11.494062     -1.131708
  H      -6.831352     11.433039     -1.937021
  H      -4.934319     11.354829      1.232384
  H      -3.963379     10.558838      3.384187
  H      -5.282758      3.775424      3.039522
  H      -6.725139      7.470615      0.664788
  H     -12.553275      0.175660      0.237627
  H     -11.285345      1.377035     -0.162907
  H     -12.521716      1.783579      1.034878
  H     -10.532156      3.063339      1.313333
  H      -8.931096      4.498119      2.595517
  H      -6.527136      1.177849      7.625650
  H      -9.430494     -0.312709      3.762073
  N      -3.139280      2.158811      3.073240
  N      -2.665389      2.383842      2.071437
88
Coordinates from ORCA-job orca E -6723.645681460031
  N      -2.152012      0.563681      5.085522
  Mo     -3.871990      1.778444      4.936635
  N      -4.563625      1.535553      6.870094
  C      -3.849125      1.955654      8.055598
  C      -2.404705      2.180636      7.620266
  N      -2.285213      2.791733      6.243980
  C      -0.926477      2.474292      5.703377
  C      -0.819945      0.966761      5.450207
  C      -2.504979      4.270955      6.264286
  C      -3.975686      4.581681      6.066090
  N      -4.420337      3.784879      4.922499
  H      -0.097524      0.777959      4.640076
  H      -0.465066      0.419444      6.339139
  H      -0.832199      3.020048      4.756645
  H      -0.145149      2.830268      6.395673
  H      -4.577184      4.327070      6.951010
  H      -4.116893      5.651535      5.855319
  H      -2.105420      4.701674      7.196353
  H      -1.946136      4.691926      5.417611
  H      -3.865974      1.191359      8.851134
  H      -4.291591      2.873605      8.476701
  H      -1.907220      1.206841      7.577425
  H      -1.857030      2.811251      8.338077
  C      -7.650146      1.667527     -0.685546
  C      -6.729145      1.477361      0.497877
  O      -5.946315      2.361536      0.837115
  C      -6.789164      0.187614      1.248866
  C      -7.770325     -0.789916      1.020670
  C      -7.822304     -1.935296      1.808367
  C      -6.863533     -2.122974      2.799146
  F      -6.954056     -3.231906      3.554494
  C      -5.832715     -1.193860      3.031377
  C      -4.674906     -1.498237      3.924914
  O      -4.306986     -2.654637      4.145396
  N      -3.959501     -0.400690      4.385904
  C      -2.657584     -0.583131      4.730052
  C      -5.840413     -0.035142      2.252006
  C      -6.269557     11.312368     -0.975167
  C      -6.506964      9.897828     -0.490421
  O      -7.199421      9.119818     -1.140511
  C      -5.877330      9.475004      0.798098
  C      -5.068558     10.335785      1.560058
  C      -4.510140      9.893749      2.753194
  C      -4.749927      8.589893      3.184409
  F      -4.179974      8.240173      4.358633
  C      -5.552930      7.691852      2.458672
  C      -5.877783      6.264693      2.834440
  O      -6.800586      5.683553      2.248258
  N      -5.111001      5.734115      3.845406
  C      -4.982845      4.425257      3.887140
  C      -6.105054      8.176747      1.267303
  C     -11.891209      0.964757      0.636590
  C     -11.031460      0.371832      1.732599
  O     -11.103361     -0.824743      2.005654
  C     -10.085968      1.270824      2.456157
  C      -9.942286      2.631656      2.127514
  C      -9.063999      3.445175      2.834086
  C      -8.319539      2.880107      3.864386
  F      -7.561252      3.703064      4.616309
  C      -8.381561      1.516985      4.188074
  C      -7.610328      0.904760      5.312980
  O      -8.143679      0.056275      6.033585
  N      -6.302795      1.343159      5.507096
  C      -5.860449      1.317270      6.767175
  C      -9.304303      0.736980      3.488473
  H      -8.702898      1.590877     -0.375053
  H      -7.472490      2.655875     -1.122179
  H      -7.477908      0.886852     -1.442137
  H      -8.525899     -0.649165      0.248085
  H      -8.608432     -2.678975      1.681354
  H      -2.142547     -1.550570      4.678239
  H      -5.072999      0.721494      2.404766
  H      -6.616096     12.045603     -0.231196
  H      -5.195642     11.495243     -1.133331
  H      -6.807817     11.463011     -1.916813
  H      -4.871754     11.355266      1.227913
  H      -3.886131     10.543788      3.367252
  H      -5.301994      3.790660      3.047881
  H      -6.739884      7.503321      0.690440
  H     -12.537671      0.182170      0.225700
  H     -11.266308      1.381969     -0.168559
  H     -12.507711      1.789894      1.023310
  H     -10.527368      3.069445      1.318541
  H      -8.928375      4.501597      2.606571
  H      -6.530720      1.161974      7.625534
  H      -9.413092     -0.315883      3.747933
  N      -3.187836      2.171478      3.068730
  N      -2.725926      2.399456      2.061907
88
Coordinates from ORCA-job orca E -6723.645714269901
  N      -2.154487      0.573698      5.078492
  Mo     -3.879266      1.782695      4.943220
  N      -4.561370      1.530796      6.879631
  C      -3.847551      1.950834      8.065293
  C      -2.404885      2.179789      7.626571
  N      -2.291408      2.797069      6.253042
  C      -0.934277      2.487161      5.704246
  C      -0.823067      0.981118      5.442252
  C      -2.516382      4.275318      6.280788
  C      -3.988036      4.582830      6.082459
  N      -4.429348      3.789244      4.935747
  H      -0.102990      0.801136      4.628029
  H      -0.462426      0.430092      6.326426
  H      -0.847907      3.037717      4.759705
  H      -0.150490      2.842940      6.393900
  H      -4.590575      4.322914      6.965184
  H      -4.131380      5.653269      5.875622
  H      -2.118636      4.702825      7.215136
  H      -1.959233      4.703499      5.436662
  H      -3.861214      1.185509      8.859794
  H      -4.291507      2.866931      8.488804
  H      -1.906414      1.206629      7.578663
  H      -1.855750      2.808044      8.345363
  C      -7.652819      1.639726     -0.707482
  C      -6.735694      1.462349      0.480596
  O      -5.959099      2.352703      0.818258
  C      -6.792573      0.176865      1.238919
  C      -7.770232     -0.804789      1.013984
  C      -7.819894     -1.946225      1.807310
  C      -6.861489     -2.126251      2.799619
  F      -6.948347     -3.232057      3.560289
  C      -5.833629     -1.193046      3.028181
  C      -4.673220     -1.493469      3.919649
  O      -4.300033     -2.649104      4.135036
  N      -3.960619     -0.394688      4.382192
  C      -2.657289     -0.573985      4.719961
  C      -5.844681     -0.037275      2.244919
  C      -6.265360     11.310745     -0.975763
  C      -6.508312      9.899034     -0.485555
  O      -7.211578      9.124328     -1.127937
  C      -5.873436      9.475996      0.800192
  C      -5.051836     10.332737      1.553226
  C      -4.486974      9.889343      2.742659
  C      -4.733133      8.588402      3.179133
  F      -4.155802      8.237586      4.349536
  C      -5.548781      7.694462      2.462637
  C      -5.876961      6.268773      2.842139
  O      -6.795612      5.684674      2.252340
  N      -5.117116      5.738439      3.857983
  C      -4.989247      4.429895      3.900609
  C      -6.106593      8.180595      1.274451
  C     -11.900058      0.974566      0.647966
  C     -11.024941      0.376833      1.729301
  O     -11.094796     -0.820613      1.999091
  C     -10.078062      1.274703      2.452696
  C      -9.942027      2.638347      2.132485
  C      -9.065860      3.450999      2.842134
  C      -8.315061      2.883288      3.866481
  F      -7.559711      3.705978      4.621994
  C      -8.368577      1.517752      4.180912
  C      -7.596878      0.900656      5.302545
  O      -8.129234      0.046375      6.016792
  N      -6.290820      1.341328      5.506673
  C      -5.857074      1.310454      6.770369
  C      -9.289632      0.737908      3.478212
  H      -8.706618      1.568257     -0.399163
  H      -7.473282      2.623018     -1.154864
  H      -7.480249      0.850025     -1.454394
  H      -8.524347     -0.671622      0.238612
  H      -8.603602     -2.692748      1.682416
  H      -2.137396     -1.538501      4.664171
  H      -5.080247      0.722653      2.395934
  H      -6.598950     12.048562     -0.230433
  H      -5.191748     11.485167     -1.145248
  H      -6.811445     11.462990     -1.912653
  H      -4.850029     11.349815      1.216855
  H      -3.852795     10.535823      3.350019
  H      -5.306283      3.796248      3.059896
  H      -6.749048      7.509839      0.703220
  H     -12.549474      0.192875      0.240050
  H     -11.286079      1.398437     -0.161979
  H     -12.514094      1.795705      1.046861
  H     -10.532046      3.078585      1.328501
  H      -8.937096      4.509760      2.622290
  H      -6.532872      1.149926      7.623335
  H      -9.393721     -0.316791      3.731994
  N      -3.207486      2.178743      3.071538
  N      -2.749733      2.406657      2.062711
88
Coordinates from ORCA-job orca E -6723.645745974947
  N      -2.160033      0.578085      5.073865
  Mo     -3.887576      1.783768      4.950185
  N      -4.559381      1.528270      6.890361
  C      -3.842766      1.946036      8.074481
  C      -2.401671      2.174711      7.629749
  N      -2.295179      2.797677      6.259090
  C      -0.940794      2.492151      5.701245
  C      -0.828166      0.987363      5.433441
  C      -2.521990      4.275529      6.295282
  C      -3.993994      4.582449      6.097013
  N      -4.432783      3.792247      4.947999
  H      -0.111912      0.812376      4.614710
  H      -0.461914      0.433849      6.313778
  H      -0.861792      3.045792      4.757968
  H      -0.153252      2.847124      6.386987
  H      -4.597016      4.318285      6.978395
  H      -4.138047      5.653513      5.893855
  H      -2.125834      4.698098      7.232496
  H      -1.964576      4.710001      5.454548
  H      -3.853827      1.179398      8.867734
  H      -4.284884      2.861480      8.501620
  H      -1.905426      1.200432      7.574805
  H      -1.847240      2.798637      8.348237
  C      -7.658075      1.614642     -0.717190
  C      -6.740643      1.443132      0.471285
  O      -5.969009      2.337844      0.808841
  C      -6.795033      0.159731      1.233259
  C      -7.766775     -0.827161      1.005951
  C      -7.814339     -1.966961      1.801950
  C      -6.860069     -2.139833      2.799289
  F      -6.945610     -3.244080      3.562518
  C      -5.837434     -1.201121      3.030419
  C      -4.677251     -1.495556      3.924367
  O      -4.304531     -2.650409      4.145752
  N      -3.966686     -0.394425      4.384998
  C      -2.661460     -0.570749      4.717582
  C      -5.850523     -0.047419      2.244168
  C      -6.284865     11.306829     -0.975672
  C      -6.532622      9.899199     -0.476149
  O      -7.248934      9.127011     -1.107051
  C      -5.882106      9.475260      0.801443
  C      -5.045321     10.328837      1.541477
  C      -4.466569      9.884393      2.723756
  C      -4.714535      8.585801      3.166390
  F      -4.122923      8.233460      4.329058
  C      -5.544449      7.694896      2.462647
  C      -5.874549      6.271863      2.847510
  O      -6.792669      5.686669      2.257807
  N      -5.118596      5.742848      3.867793
  C      -4.990198      4.434671      3.911699
  C      -6.114973      8.181748      1.280667
  C     -11.879743      0.999477      0.634440
  C     -11.005236      0.397226      1.713715
  O     -11.069113     -0.803132      1.971964
  C     -10.063628      1.292951      2.446608
  C      -9.933220      2.660213      2.138580
  C      -9.065261      3.470947      2.859948
  C      -8.314837      2.898517      3.881855
  F      -7.568549      3.719087      4.648394
  C      -8.360947      1.529913      4.182837
  C      -7.589460      0.905776      5.300432
  O      -8.120992      0.044776      6.006996
  N      -6.284231      1.346737      5.512832
  C      -5.854625      1.307821      6.778127
  C      -9.276279      0.751695      3.470340
  H      -8.711539      1.543784     -0.407684
  H      -7.479696      2.595949     -1.169386
  H      -7.486147      0.821540     -1.460529
  H      -8.519066     -0.699486      0.227986
  H      -8.595299     -2.716253      1.675760
  H      -2.138367     -1.533389      4.660014
  H      -5.091494      0.717262      2.397733
  H      -6.601716     12.050785     -0.229215
  H      -5.212381     11.471570     -1.161272
  H      -6.842716     11.459547     -1.905553
  H      -4.842892     11.344379      1.200737
  H      -3.820094     10.527953      3.321185
  H      -5.307559      3.801857      3.070486
  H      -6.766940      7.512511      0.718291
  H     -12.523965      0.217957      0.218144
  H     -11.265005      1.432782     -0.169953
  H     -12.499305      1.814414      1.037497
  H     -10.522426      3.104453      1.336129
  H      -8.942931      4.532771      2.650486
  H      -6.533281      1.143347      7.627976
  H      -9.376206     -0.305535      3.715164
  N      -3.228803      2.178141      3.073737
  N      -2.775579      2.403083      2.062227
88
Coordinates from ORCA-job orca E -6723.645772290435
  N      -2.169931      0.581854      5.070558
  Mo     -3.898432      1.786325      4.954757
  N      -4.561081      1.532459      6.898922
  C      -3.840355      1.949603      8.080106
  C      -2.400274      2.174730      7.629299
  N      -2.299262      2.800451      6.260374
  C      -0.948163      2.494875      5.694655
  C      -0.836982      0.990801      5.425712
  C      -2.523751      4.278595      6.301463
  C      -3.995152      4.588002      6.101691
  N      -4.432985      3.798777      4.952441
  H      -0.123612      0.816145      4.604325
  H      -0.467963      0.436403      6.304438
  H      -0.874637      3.048673      4.751003
  H      -0.156387      2.849392      6.375732
  H      -4.599101      4.323884      6.982694
  H      -4.136814      5.659443      5.899080
  H      -2.128357      4.697045      7.240741
  H      -1.964323      4.715399      5.463253
  H      -3.850208      1.183538      8.873949
  H      -4.278930      2.866416      8.508174
  H      -1.907933      1.198505      7.569547
  H      -1.839852      2.794672      8.346594
  C      -7.653498      1.569731     -0.741913
  C      -6.737981      1.407156      0.449360
  O      -5.963451      2.302561      0.777856
  C      -6.798239      0.132297      1.225671
  C      -7.769355     -0.856495      1.004035
  C      -7.820640     -1.988122      1.812053
  C      -6.870655     -2.151408      2.814864
  F      -6.961704     -3.246942      3.589896
  C      -5.848091     -1.210799      3.040622
  C      -4.689191     -1.497919      3.938625
  O      -4.316971     -2.651617      4.168276
  N      -3.978483     -0.393995      4.391514
  C      -2.670591     -0.567964      4.717976
  C      -5.857891     -0.065032      2.242681
  C      -6.301958     11.335077     -0.951769
  C      -6.546986      9.925631     -0.455884
  O      -7.274448      9.158885     -1.080623
  C      -5.882875      9.494156      0.812262
  C      -5.039236     10.343692      1.549048
  C      -4.448674      9.892966      2.723113
  C      -4.692751      8.592082      3.161194
  F      -4.089855      8.232429      4.315500
  C      -5.529000      7.704752      2.460122
  C      -5.856214      6.280825      2.839425
  O      -6.768895      5.694472      2.242366
  N      -5.108653      5.751688      3.867046
  C      -4.986386      4.443638      3.914564
  C      -6.110427      8.197680      1.285780
  C     -11.879715      0.998452      0.637372
  C     -11.000620      0.397595      1.713528
  O     -11.067238     -0.801418      1.977294
  C     -10.052774      1.293154      2.438473
  C      -9.916197      2.657904      2.121068
  C      -9.045622      3.469686      2.838013
  C      -8.299827      2.901495      3.865593
  F      -7.553478      3.724384      4.629237
  C      -8.351363      1.535130      4.175273
  C      -7.586909      0.916760      5.300691
  O      -8.124382      0.062395      6.010840
  N      -6.281571      1.355421      5.518017
  C      -5.856238      1.315391      6.785412
  C      -9.268379      0.755559      3.466129
  H      -8.706983      1.508658     -0.430861
  H      -7.469400      2.544078     -1.206486
  H      -7.486690      0.766453     -1.475415
  H      -8.519357     -0.736190      0.222861
  H      -8.601838     -2.738170      1.690806
  H      -2.145968     -1.529633      4.658971
  H      -5.100003      0.701585      2.391612
  H      -6.607227     12.076219     -0.197728
  H      -5.231491     11.497890     -1.150248
  H      -6.871244     11.493675     -1.873686
  H      -4.840551     11.361365      1.212267
  H      -3.795830     10.532892      3.317497
  H      -5.309412      3.811081      3.075491
  H      -6.766629      7.530520      0.725480
  H     -12.527788      0.217036      0.226982
  H     -11.268644      1.428562     -0.171526
  H     -12.495603      1.815661      1.041602
  H     -10.502619      3.099414      1.315032
  H      -8.919692      4.529931      2.621493
  H      -6.537675      1.153864      7.633472
  H      -9.372778     -0.299623      3.718377
  N      -3.250204      2.173976      3.073849
  N      -2.800807      2.393255      2.059488
88
Coordinates from ORCA-job orca E -6723.645795632247
  N      -2.175992      0.589021      5.066350
  Mo     -3.904816      1.792403      4.958813
  N      -4.562455      1.534963      6.905429
  C      -3.840912      1.951830      8.085421
  C      -2.401236      2.175560      7.633046
  N      -2.302161      2.805390      6.266343
  C      -0.952973      2.499167      5.696603
  C      -0.843065      0.995941      5.424395
  C      -2.524093      4.284030      6.311965
  C      -3.994727      4.596531      6.107866
  N      -4.430150      3.808166      4.957360
  H      -0.128303      0.822391      4.603935
  H      -0.476171      0.438722      6.302304
  H      -0.880888      3.054379      4.753529
  H      -0.158866      2.851668      6.376094
  H      -4.600046      4.332694      6.987962
  H      -4.133629      5.668331      5.905510
  H      -2.131405      4.697918      7.254309
  H      -1.960373      4.722581      5.477552
  H      -3.850820      1.186489      8.880016
  H      -4.278514      2.869518      8.512676
  H      -1.911745      1.198218      7.568792
  H      -1.837840      2.791430      8.351527
  C      -7.666932      1.523997     -0.766332
  C      -6.750949      1.375952      0.426757
  O      -5.975074      2.274509      0.742543
  C      -6.809203      0.109505      1.217184
  C      -7.778240     -0.883216      1.004709
  C      -7.826549     -2.007757      1.822972
  C      -6.875946     -2.160217      2.826537
  F      -6.964328     -3.249687      3.610295
  C      -5.854938     -1.215643      3.043677
  C      -4.694675     -1.494679      3.942364
  O      -4.319234     -2.646802      4.175525
  N      -3.984775     -0.388276      4.389841
  C      -2.675927     -0.561173      4.712607
  C      -5.867812     -0.076576      2.235760
  C      -6.312419     11.355326     -0.935170
  C      -6.559640      9.946547     -0.438471
  O      -7.299419      9.185200     -1.055247
  C      -5.881436      9.508534      0.820113
  C      -5.027712     10.353521      1.550094
  C      -4.425074      9.897871      2.716096
  C      -4.667680      8.596342      3.153024
  F      -4.051634      8.231145      4.298321
  C      -5.514582      7.713175      2.458725
  C      -5.844383      6.290763      2.838916
  O      -6.758284      5.705536      2.242518
  N      -5.099977      5.762386      3.870042
  C      -4.979968      4.454671      3.918848
  C      -6.107330      8.211202      1.291921
  C     -11.874218      1.000791      0.634654
  C     -10.991564      0.398411      1.706899
  O     -11.054405     -0.801691      1.966548
  C     -10.042898      1.293401      2.431328
  C      -9.907027      2.658500      2.114537
  C      -9.038244      3.470790      2.833125
  C      -8.294801      2.903135      3.862658
  F      -7.553975      3.726973      4.630373
  C      -8.343944      1.536144      4.170223
  C      -7.581641      0.918423      5.297445
  O      -8.119761      0.062512      6.005326
  N      -6.278246      1.359567      5.520187
  C      -5.856463      1.315830      6.789650
  C      -9.258388      0.755737      3.458581
  H      -8.719851      1.472085     -0.451629
  H      -7.479647      2.490102     -1.246367
  H      -7.505470      0.708815     -1.487800
  H      -8.529341     -0.771396      0.223396
  H      -8.605427     -2.761201      1.708148
  H      -2.149373     -1.521565      4.651428
  H      -5.111182      0.692712      2.376553
  H      -6.604348     12.097093     -0.176451
  H      -5.243420     11.512130     -1.146061
  H      -6.891850     11.518633     -1.849886
  H      -4.830061     11.371700      1.214146
  H      -3.763171     10.533946      3.304554
  H      -5.304541      3.822655      3.080241
  H      -6.771677      7.547465      0.737211
  H     -12.521118      0.219093      0.222961
  H     -11.266420      1.435848     -0.174087
  H     -12.491359      1.814663      1.043782
  H     -10.492575      3.099878      1.307801
  H      -8.913230      4.531171      2.616655
  H      -6.539644      1.149589      7.635267
  H      -9.360721     -0.300064      3.709445
  N      -3.262262      2.176849      3.075908
  N      -2.812766      2.391597      2.060711
88
Coordinates from ORCA-job orca E -6723.645813094146
  N      -2.180060      0.598235      5.060919
  Mo     -3.915205      1.793650      4.959246
  N      -4.565036      1.534329      6.909440
  C      -3.841158      1.950972      8.087606
  C      -2.403009      2.176348      7.631295
  N      -2.309614      2.811438      6.266599
  C      -0.961560      2.510763      5.691153
  C      -0.847281      1.008847      5.415818
  C      -2.535140      4.289259      6.318665
  C      -4.006173      4.598326      6.111476
  N      -4.435301      3.811598      4.957428
  H      -0.133525      0.838573      4.593817
  H      -0.476745      0.451284      6.291958
  H      -0.894959      3.068270      4.748921
  H      -0.165825      2.864824      6.368031
  H      -4.612603      4.330265      6.989454
  H      -4.147673      5.670188      5.911679
  H      -2.146710      4.699251      7.264413
  H      -1.969579      4.733116      5.488326
  H      -3.848393      1.185932      8.882521
  H      -4.278449      2.868799      8.514936
  H      -1.913989      1.199292      7.562059
  H      -1.837439      2.789702      8.350233
  C      -7.674337      1.460674     -0.788541
  C      -6.755027      1.327158      0.404136
  O      -5.979724      2.230301      0.707366
  C      -6.813570      0.072120      1.212670
  C      -7.785929     -0.920790      1.017479
  C      -7.834737     -2.033430      1.851943
  C      -6.880815     -2.174570      2.853989
  F      -6.968485     -3.253156      3.652684
  C      -5.856471     -1.229994      3.053977
  C      -4.692710     -1.500119      3.950516
  O      -4.313335     -2.649715      4.189950
  N      -3.985921     -0.388576      4.389265
  C      -2.674140     -0.554248      4.707935
  C      -5.869393     -0.101821      2.230832
  C      -6.323413     11.386347     -0.908133
  C      -6.568886      9.975411     -0.416842
  O      -7.315399      9.218648     -1.031089
  C      -5.879257      9.528955      0.832697
  C      -5.018937     10.369043      1.560291
  C      -4.405699      9.905675      2.717713
  C      -4.644134      8.601309      3.148485
  F      -4.014219      8.228534      4.283675
  C      -5.498373      7.722876      2.456719
  C      -5.827941      6.298545      2.831441
  O      -6.734966      5.712040      2.225916
  N      -5.091061      5.770102      3.868147
  C      -4.975342      4.461779      3.916150
  C      -6.101426      8.228872      1.298549
  C     -11.871346      1.013857      0.629886
  C     -10.989944      0.409613      1.702115
  O     -11.060319     -0.788897      1.967005
  C     -10.035644      1.301837      2.422618
  C      -9.892931      2.665156      2.101270
  C      -9.021272      3.476104      2.818106
  C      -8.282539      2.908258      3.850909
  F      -7.541559      3.731389      4.619205
  C      -8.336465      1.542043      4.161408
  C      -7.578566      0.925197      5.292064
  O      -8.120698      0.071541      5.999713
  N      -6.275231      1.364148      5.519238
  C      -5.858113      1.315517      6.791414
  C      -9.253600      0.763450      3.451377
  H      -8.726425      1.417392     -0.469432
  H      -7.485048      2.418907     -1.283351
  H      -7.518413      0.634604     -1.498701
  H      -8.538997     -0.818463      0.236701
  H      -8.615246     -2.786989      1.749873
  H      -2.142273     -1.511399      4.643621
  H      -5.109465      0.666663      2.357406
  H      -6.608227     12.124740     -0.143429
  H      -5.255775     11.542358     -1.126393
  H      -6.909824     11.555299     -1.817345
  H      -4.823489     11.389075      1.228771
  H      -3.737432     10.537561      3.303480
  H      -5.295202      3.831676      3.074582
  H      -6.772009      7.569031      0.746774
  H     -12.523498      0.234580      0.221833
  H     -11.263377      1.443598     -0.181511
  H     -12.482932      1.832067      1.038698
  H     -10.475509      3.106541      1.292451
  H      -8.890991      4.535002      2.597796
  H      -6.544162      1.145721      7.633795
  H      -9.360274     -0.291155      3.705184
  N      -3.280859      2.174066      3.072745
  N      -2.833603      2.384496      2.055644
88
Coordinates from ORCA-job orca E -6723.645825501612
  N      -2.177254      0.591177      5.065056
  Mo     -3.907730      1.791859      4.956279
  N      -4.566465      1.536249      6.904288
  C      -3.844644      1.952740      8.084318
  C      -2.404338      2.172644      7.633591
  N      -2.303606      2.805655      6.267831
  C      -0.954109      2.499792      5.698068
  C      -0.843988      0.996927      5.425075
  C      -2.524324      4.284496      6.317604
  C      -3.993442      4.598350      6.104741
  N      -4.420914      3.811024      4.950131
  H      -0.126693      0.822161      4.607178
  H      -0.479962      0.439360      6.303857
  H      -0.881979      3.056133      4.755536
  H      -0.160012      2.852396      6.377624
  H      -4.603887      4.334528      6.981138
  H      -4.131324      5.670208      5.902432
  H      -2.138578      4.693670      7.264802
  H      -1.953332      4.725308      5.489398
  H      -3.857349      1.189872      8.881245
  H      -4.280585      2.873151      8.507404
  H      -1.917842      1.194223      7.568240
  H      -1.840259      2.785839      8.353796
  C      -7.666837      1.462588     -0.787680
  C      -6.743591      1.326374      0.401780
  O      -5.959666      2.224280      0.698428
  C      -6.809253      0.075016      1.215055
  C      -7.789829     -0.910859      1.026006
  C      -7.844491     -2.020666      1.863429
  C      -6.888566     -2.165931      2.863204
  F      -6.981106     -3.241823      3.664884
  C      -5.857548     -1.227917      3.058149
  C      -4.695019     -1.501631      3.954949
  O      -4.321144     -2.651857      4.199158
  N      -3.983567     -0.391267      4.389359
  C      -2.674562     -0.560811      4.713014
  C      -5.863975     -0.102439      2.231382
  C      -6.343563     11.390451     -0.902178
  C      -6.582233      9.977207     -0.414397
  O      -7.324312      9.217978     -1.030975
  C      -5.890810      9.531144      0.834333
  C      -5.035513     10.373779      1.564782
  C      -4.419746      9.909782      2.720630
  C      -4.649711      8.602292      3.146555
  F      -4.015330      8.229427      4.279395
  C      -5.499499      7.721587      2.452395
  C      -5.821817      6.293436      2.823349
  O      -6.724596      5.703166      2.215539
  N      -5.082798      5.768229      3.859614
  C      -4.962462      4.459838      3.907464
  C      -6.105866      8.228540      1.296519
  C     -11.873625      1.015293      0.626274
  C     -10.995049      0.412208      1.701588
  O     -11.068650     -0.785214      1.970449
  C     -10.038368      1.304249      2.419356
  C      -9.889198      2.665070      2.091686
  C      -9.013631      3.475754      2.804443
  C      -8.277665      2.909251      3.840031
  F      -7.531095      3.732111      4.603323
  C      -8.339338      1.544868      4.158113
  C      -7.583811      0.929863      5.291725
  O      -8.129107      0.080805      6.002669
  N      -6.279582      1.366323      5.515809
  C      -5.860001      1.319045      6.787251
  C      -9.259769      0.767236      3.451743
  H      -8.717974      1.427589     -0.464164
  H      -7.472697      2.418195     -1.285792
  H      -7.519255      0.633789     -1.496417
  H      -8.543205     -0.805607      0.245796
  H      -8.630185     -2.769239      1.765485
  H      -2.146370     -1.520168      4.651472
  H      -5.096559      0.659711      2.351883
  H      -6.638106     12.125604     -0.137972
  H      -5.275826     11.554310     -1.113938
  H      -6.926343     11.556886     -1.814192
  H      -4.845592     11.395887      1.236600
  H      -3.755296     10.543707      3.308532
  H      -5.275887      3.828810      3.064090
  H      -6.773940      7.567423      0.743594
  H     -12.528123      0.236676      0.220642
  H     -11.264128      1.440157     -0.186447
  H     -12.482529      1.836868      1.032249
  H     -10.469648      3.105297      1.280731
  H      -8.877887      4.532600      2.578480
  H      -6.544489      1.149666      7.631036
  H      -9.372109     -0.285275      3.711252
  N      -3.263842      2.167590      3.071875
  N      -2.811427      2.374796      2.056404
88
Coordinates from ORCA-job orca E -6723.645832546874
  N      -2.181188      0.594791      5.062857
  Mo     -3.913686      1.793113      4.957401
  N      -4.567425      1.538522      6.907226
  C      -3.843390      1.953968      8.086338
  C      -2.404159      2.173654      7.632019
  N      -2.306940      2.808107      6.266627
  C      -0.958573      2.505040      5.693017
  C      -0.847156      1.002497      5.418418
  C      -2.529726      4.286533      6.318850
  C      -3.999046      4.598357      6.105488
  N      -4.424482      3.812691      4.948825
  H      -0.132575      0.829491      4.597816
  H      -0.479087      0.444997      6.295510
  H      -0.890522      3.062396      4.750825
  H      -0.163227      2.858705      6.370502
  H      -4.610168      4.331726      6.980559
  H      -4.138795      5.670365      5.904982
  H      -2.145391      4.694433      7.267166
  H      -1.959085      4.730388      5.492056
  H      -3.854482      1.190725      8.882852
  H      -4.278164      2.874255      8.510932
  H      -1.917829      1.195241      7.564739
  H      -1.838279      2.786394      8.351195
  C      -7.670929      1.439320     -0.793051
  C      -6.752970      1.312118      0.401346
  O      -5.975143      2.215131      0.698993
  C      -6.815036      0.062373      1.216993
  C      -7.793042     -0.926368      1.029625
  C      -7.846592     -2.033475      1.870374
  C      -6.891393     -2.173423      2.871694
  F      -6.981923     -3.246947      3.676915
  C      -5.862521     -1.232834      3.064715
  C      -4.699164     -1.502889      3.961868
  O      -4.324537     -2.652055      4.209345
  N      -3.987537     -0.390745      4.391841
  C      -2.677412     -0.558041      4.712491
  C      -5.870297     -0.109874      2.234709
  C      -6.348397     11.404921     -0.889037
  C      -6.590463      9.992471     -0.400714
  O      -7.343444      9.238524     -1.010535
  C      -5.890782      9.541474      0.841538
  C      -5.023004     10.377999      1.564531
  C      -4.398628      9.908388      2.713422
  C      -4.632596      8.601825      3.140086
  F      -3.987848      8.223233      4.265336
  C      -5.495212      7.727721      2.454003
  C      -5.821033      6.299952      2.825467
  O      -6.726501      5.712357      2.219196
  N      -5.082489      5.772216      3.860537
  C      -4.962581      4.463484      3.906271
  C      -6.109209      8.239718      1.304539
  C     -11.864073      1.013122      0.618376
  C     -10.986989      0.411406      1.695777
  O     -11.063235     -0.785080      1.968124
  C     -10.031160      1.304300      2.413738
  C      -9.880204      2.664227      2.083804
  C      -9.006081      3.475832      2.797275
  C      -8.272243      2.910662      3.835098
  F      -7.526429      3.734402      4.598283
  C      -8.335546      1.546967      4.155755
  C      -7.582585      0.932970      5.291629
  O      -8.130589      0.086471      6.003547
  N      -6.278193      1.368223      5.517773
  C      -5.860866      1.321730      6.790230
  C      -9.255556      0.768864      3.449383
  H      -8.723520      1.400691     -0.475031
  H      -7.478793      2.394127     -1.293620
  H      -7.515871      0.608674     -1.497958
  H      -8.545461     -0.825282      0.247956
  H      -8.631141     -2.783510      1.774427
  H      -2.147971     -1.516606      4.649188
  H      -5.104530      0.654094      2.353736
  H      -6.634194     12.140802     -0.122194
  H      -5.281479     11.564055     -1.108207
  H      -6.936946     11.574922     -1.796702
  H      -4.829998     11.399375      1.235892
  H      -3.724280     10.537318      3.295407
  H      -5.273686      3.833864      3.060986
  H      -6.785479      7.582826      0.756560
  H     -12.519323      0.234474      0.214032
  H     -11.253531      1.435299     -0.194921
  H     -12.472132      1.836438      1.022062
  H     -10.458786      3.103393      1.270901
  H      -8.869667      4.532394      2.570417
  H      -6.546358      1.152026      7.633069
  H      -9.370355     -0.282654      3.711549
  N      -3.274837      2.165526      3.070551
  N      -2.824182      2.370510      2.053840
88
Coordinates from ORCA-job orca E -6723.645837718634
  N      -2.182086      0.593707      5.064469
  Mo     -3.914372      1.792163      4.958225
  N      -4.568591      1.539151      6.908200
  C      -3.844710      1.953337      8.087918
  C      -2.405203      2.171198      7.633635
  N      -2.307678      2.806629      6.268993
  C      -0.959478      2.504139      5.694970
  C      -0.848053      1.001658      5.419745
  C      -2.530790      4.285015      6.322444
  C      -3.999400      4.596928      6.105069
  N      -4.421140      3.812405      4.946280
  H      -0.133985      0.829288      4.598565
  H      -0.479420      0.443914      6.296447
  H      -0.892110      3.061763      4.752923
  H      -0.164049      2.857904      6.372255
  H      -4.613525      4.329057      6.977677
  H      -4.138841      5.669142      5.905176
  H      -2.149346      4.691722      7.272416
  H      -1.958059      4.730583      5.498039
  H      -3.857111      1.189911      8.884175
  H      -4.278410      2.874036      8.512732
  H      -1.919984      1.192198      7.565483
  H      -1.838416      2.782789      8.353106
  C      -7.662514      1.427495     -0.798509
  C      -6.745125      1.301767      0.396368
  O      -5.963873      2.203050      0.690481
  C      -6.811125      0.055147      1.216452
  C      -7.791581     -0.931796      1.031879
  C      -7.849032     -2.035573      1.876780
  C      -6.895058     -2.174165      2.879489
  F      -6.989505     -3.243757      3.689645
  C      -5.863801     -1.235624      3.069681
  C      -4.701581     -1.504966      3.968732
  O      -4.328643     -2.653863      4.219659
  N      -3.988264     -0.392326      4.394710
  C      -2.678356     -0.559430      4.715093
  C      -5.867735     -0.115730      2.235613
  C      -6.367005     11.413066     -0.877866
  C      -6.607096     10.000048     -0.390195
  O      -7.365904      9.248198     -0.995384
  C      -5.897561      9.545752      0.845159
  C      -5.022515     10.379733      1.562572
  C      -4.388667      9.906625      2.704763
  C      -4.620692      8.599418      3.130607
  F      -3.966182      8.217492      4.249149
  C      -5.490098      7.727919      2.450049
  C      -5.813394      6.299119      2.819784
  O      -6.715496      5.709871      2.210054
  N      -5.077929      5.771838      3.857241
  C      -4.956491      4.463355      3.902695
  C      -6.113012      8.243072      1.306899
  C     -11.865891      1.018764      0.617650
  C     -10.987154      0.417013      1.693729
  O     -11.062606     -0.779647      1.965566
  C     -10.029322      1.309501      2.409502
  C      -9.876894      2.668823      2.077940
  C      -9.001994      3.480240      2.790595
  C      -8.268792      2.915561      3.829118
  F      -7.522916      3.739629      4.591976
  C      -8.333293      1.552324      4.151297
  C      -7.582423      0.938379      5.288593
  O      -8.132809      0.093602      6.000675
  N      -6.277468      1.371407      5.516605
  C      -5.862105      1.323805      6.789750
  C      -9.253929      0.774364      3.445518
  H      -8.715322      1.395943     -0.480546
  H      -7.465715      2.378911     -1.303720
  H      -7.511691      0.592569     -1.499239
  H      -8.542890     -0.831668      0.249097
  H      -8.635902     -2.783542      1.783398
  H      -2.148634     -1.517906      4.652524
  H      -5.100488      0.646903      2.353057
  H      -6.648854     12.147713     -0.108333
  H      -5.301289     11.572632     -1.102376
  H      -6.960407     11.584603     -1.782080
  H      -4.831517     11.401833      1.234990
  H      -3.708475     10.533376      3.282296
  H      -5.264122      3.833952      3.055979
  H      -6.793780      7.587624      0.762599
  H     -12.521622      0.240129      0.214104
  H     -11.256702      1.441296     -0.196487
  H     -12.473511      1.841884      1.022429
  H     -10.455171      3.107738      1.264655
  H      -8.865051      4.536732      2.563460
  H      -6.549109      1.154842      7.631477
  H      -9.370482     -0.276627      3.709268
  N      -3.275287      2.160363      3.070333
  N      -2.823721      2.362380      2.053489
88
Coordinates from ORCA-job orca E -6723.645841710560
  N      -2.183521      0.590608      5.068262
  Mo     -3.914188      1.791224      4.958214
  N      -4.570460      1.542479      6.908136
  C      -3.846704      1.955856      8.088184
  C      -2.406455      2.170359      7.634610
  N      -2.307202      2.804811      6.269976
  C      -0.959095      2.500361      5.697040
  C      -0.849291      0.997562      5.423236
  C      -2.528679      4.283504      6.322485
  C      -3.996030      4.597114      6.100389
  N      -4.415063      3.812482      4.940778
  H      -0.135560      0.823837      4.602019
  H      -0.481197      0.440242      6.300477
  H      -0.890463      3.056969      4.754467
  H      -0.163718      2.853842      6.374497
  H      -4.613316      4.329944      6.971018
  H      -4.133798      5.669399      5.899604
  H      -2.149865      4.689921      7.273601
  H      -1.952827      4.728541      5.499971
  H      -3.861400      1.192719      8.884654
  H      -4.278821      2.877602      8.512388
  H      -1.923133      1.190346      7.566859
  H      -1.838591      2.781156      8.353949
  C      -7.657686      1.413682     -0.801580
  C      -6.739957      1.289589      0.393135
  O      -5.956618      2.190098      0.684109
  C      -6.809472      0.046353      1.218155
  C      -7.791699     -0.939407      1.036153
  C      -7.852447     -2.039956      1.885131
  C      -6.900141     -2.176417      2.889684
  F      -6.998131     -3.242379      3.704287
  C      -5.867036     -1.239325      3.077455
  C      -4.706369     -1.507440      3.979108
  O      -4.337039     -2.656039      4.236591
  N      -3.990212     -0.394545      4.399775
  C      -2.680953     -0.562625      4.720996
  C      -5.867501     -0.122632      2.238998
  C      -6.390582     11.426872     -0.860796
  C      -6.627351     10.012267     -0.376047
  O      -7.393428      9.263708     -0.976153
  C      -5.905803      9.552555      0.850274
  C      -5.023181     10.383163      1.562449
  C      -4.378232      9.905042      2.696273
  C      -4.607312      8.596409      3.119414
  F      -3.941617      8.209365      4.229536
  C      -5.483931      7.728189      2.443965
  C      -5.804470      6.298255      2.810636
  O      -6.703434      5.708018      2.197107
  N      -5.071794      5.771038      3.850229
  C      -4.948925      4.462915      3.895911
  C      -6.117260      8.248064      1.308685
  C     -11.861717      1.023300      0.611081
  C     -10.984296      0.422020      1.688437
  O     -11.061824     -0.774049      1.962304
  C     -10.025919      1.314341      2.403517
  C      -9.870303      2.672594      2.068915
  C      -8.994534      3.483768      2.780725
  C      -8.264188      2.920164      3.821795
  F      -7.517557      3.744435      4.583656
  C      -8.332205      1.558005      4.147462
  C      -7.584461      0.945118      5.287344
  O      -8.137643      0.102779      6.000140
  N      -6.278676      1.375269      5.515918
  C      -5.864106      1.328275      6.789296
  C      -9.253236      0.780161      3.442029
  H      -8.710423      1.386567     -0.483012
  H      -7.458402      2.362629     -1.310419
  H      -7.509745      0.575651     -1.499217
  H      -8.542000     -0.840427      0.252315
  H      -8.640855     -2.786591      1.793793
  H      -2.152149     -1.521765      4.660552
  H      -5.099133      0.639057      2.354736
  H      -6.668440     12.158486     -0.086865
  H      -5.326452     11.588253     -1.091227
  H      -6.989847     11.601235     -1.760588
  H      -4.834955     11.406590      1.237369
  H      -3.691511     10.528877      3.269231
  H      -5.254737      3.833087      3.048790
  H      -6.802947      7.594746      0.767883
  H     -12.518001      0.244867      0.208091
  H     -11.251604      1.444292     -0.203203
  H     -12.468787      1.847533      1.014515
  H     -10.446257      3.110692      1.253517
  H      -8.854954      4.539544      2.551546
  H      -6.551809      1.161538      7.630878
  H      -9.372344     -0.270064      3.707966
  N      -3.272834      2.152671      3.069344
  N      -2.819522      2.350475      2.052522
88
Coordinates from ORCA-job orca E -6723.645845697540
  N      -2.185085      0.589536      5.072483
  Mo     -3.915837      1.790507      4.958707
  N      -4.573014      1.544986      6.908719
  C      -3.849605      1.957401      8.089156
  C      -2.408932      2.170329      7.636220
  N      -2.309039      2.804687      6.271816
  C      -0.960824      2.499979      5.699352
  C      -0.850868      0.997078      5.426123
  C      -2.530713      4.283327      6.324107
  C      -3.997313      4.596917      6.097646
  N      -4.412602      3.812250      4.936738
  H      -0.137960      0.823391      4.604146
  H      -0.481689      0.440275      6.303258
  H      -0.891632      3.056253      4.756594
  H      -0.165606      2.853525      6.376996
  H      -4.617280      4.329024      6.966160
  H      -4.134699      5.669213      5.896747
  H      -2.154944      4.689692      7.276438
  H      -1.952299      4.728684      5.503546
  H      -3.865791      1.194002      8.885356
  H      -4.280911      2.879597      8.513256
  H      -1.926694      1.189840      7.568348
  H      -1.840462      2.780458      8.355673
  C      -7.652620      1.396259     -0.805687
  C      -6.737179      1.275940      0.391185
  O      -5.954073      2.177193      0.680377
  C      -6.808391      0.035626      1.220616
  C      -7.791509     -0.949821      1.041599
  C      -7.854201     -2.047137      1.894771
  C      -6.902944     -2.180645      2.900669
  F      -7.003157     -3.243069      3.719617
  C      -5.868804     -1.244066      3.085555
  C      -4.709269     -1.509958      3.989425
  O      -4.342079     -2.657906      4.252795
  N      -3.991330     -0.396316      4.405049
  C      -2.682547     -0.564243      4.727211
  C      -5.867266     -0.130577      2.242717
  C      -6.416794     11.443088     -0.839830
  C      -6.652407     10.027673     -0.356831
  O      -7.431029      9.284884     -0.947886
  C      -5.913809      9.559909      0.856248
  C      -5.017231     10.384140      1.558317
  C      -4.356733      9.898836      2.680056
  C      -4.584634      8.589412      3.101426
  F      -3.902250      8.194793      4.198625
  C      -5.474997      7.727336      2.435962
  C      -5.795742      6.297317      2.801337
  O      -6.693234      5.707079      2.185413
  N      -5.067229      5.770089      3.843742
  C      -4.943851      4.462301      3.889848
  C      -6.123230      8.254301      1.312333
  C     -11.857526      1.030912      0.603865
  C     -10.981419      0.428926      1.681854
  O     -11.060713     -0.766926      1.956184
  C     -10.021867      1.320169      2.396558
  C      -9.863233      2.677757      2.060261
  C      -8.986497      3.487992      2.771869
  C      -8.258711      2.924317      3.814692
  F      -7.511696      3.748158      4.576603
  C      -8.329747      1.562784      4.142159
  C      -7.585076      0.949915      5.284001
  O      -8.141089      0.109665      5.997060
  N      -6.278946      1.377963      5.514456
  C      -5.866503      1.331377      6.788696
  C      -9.251373      0.785774      3.436512
  H      -8.706049      1.372061     -0.489075
  H      -7.451258      2.342808     -1.318131
  H      -7.504585      0.555029     -1.499466
  H      -8.541188     -0.852808      0.256905
  H      -8.643098     -2.793501      1.805400
  H      -2.153417     -1.523324      4.668732
  H      -5.098186      0.630699      2.356249
  H      -6.684731     12.172417     -0.060187
  H      -5.354941     11.603118     -1.081222
  H      -7.025650     11.622160     -1.732220
  H      -4.829868     11.408162      1.234604
  H      -3.658097     10.517323      3.244323
  H      -5.246973      3.832235      3.041905
  H      -6.819407      7.605719      0.779312
  H     -12.514441      0.253112      0.200684
  H     -11.246522      1.451126     -0.210170
  H     -12.463937      1.855900      1.006778
  H     -10.437253      3.115819      1.243498
  H      -8.844008      4.543197      2.541618
  H      -6.555544      1.165589      7.629329
  H      -9.372694     -0.264007      3.703235
  N      -3.273270      2.145440      3.068595
  N      -2.818481      2.339371      2.051724
88
Coordinates from ORCA-job orca E -6723.645852552459
  N      -2.187749      0.588933      5.080155
  Mo     -3.918971      1.790104      4.959635
  N      -4.578143      1.549172      6.909621
  C      -3.855730      1.960306      8.090853
  C      -2.414303      2.171534      7.639542
  N      -2.312969      2.805806      6.275387
  C      -0.964272      2.500757      5.704414
  C      -0.853655      0.997673      5.432156
  C      -2.534999      4.284374      6.326943
  C      -4.000490      4.597787      6.093110
  N      -4.409651      3.812536      4.930402
  H      -0.141559      0.824230      4.609382
  H      -0.482907      0.441730      6.309185
  H      -0.893542      3.056523      4.761427
  H      -0.169691      2.854420      6.382819
  H      -4.624363      4.329156      6.958589
  H      -4.137153      5.670011      5.891581
  H      -2.164283      4.690753      7.281233
  H      -1.952255      4.729962      5.509563
  H      -3.874167      1.196595      8.886724
  H      -4.286296      2.883107      8.514493
  H      -1.933444      1.190447      7.571723
  H      -1.845474      2.780776      8.359464
  C      -7.645622      1.369637     -0.810976
  C      -6.733049      1.254888      0.388636
  O      -5.950843      2.157616      0.675484
  C      -6.806239      0.018713      1.224147
  C      -7.789994     -0.966707      1.048971
  C      -7.855148     -2.059245      1.908229
  C      -6.905656     -2.188081      2.916371
  F      -7.008544     -3.245899      3.740874
  C      -5.870712     -1.251573      3.097664
  C      -4.713160     -1.513355      4.005201
  O      -4.349042     -2.660099      4.278021
  N      -3.993145     -0.398348      4.413416
  C      -2.684767     -0.565715      4.737401
  C      -5.866784     -0.142843      2.248496
  C      -6.458339     11.471573     -0.803102
  C      -6.694636     10.055924     -0.321152
  O      -7.498357      9.324901     -0.892944
  C      -5.925786      9.573369      0.867179
  C      -5.002037     10.384808      1.548475
  C      -4.313273      9.885974      2.647033
  C      -4.540829      8.575816      3.066340
  F      -3.827081      8.166338      4.137736
  C      -5.458713      7.726372      2.421994
  C      -5.781867      6.297003      2.786924
  O      -6.677747      5.706966      2.168107
  N      -5.059949      5.769631      3.833893
  C      -4.936099      4.462165      3.880418
  C      -6.133722      8.266586      1.320429
  C     -11.852584      1.039125      0.592536
  C     -10.977491      0.436375      1.670881
  O     -11.059382     -0.759031      1.946517
  C     -10.016564      1.326481      2.385057
  C      -9.853932      2.683077      2.046034
  C      -8.976491      3.492456      2.757604
  C      -8.252501      2.929167      3.803343
  F      -7.505258      3.752899      4.565105
  C      -8.327242      1.568510      4.133445
  C      -7.586857      0.956358      5.278414
  O      -8.146607      0.118953      5.991929
  N      -6.280586      1.382228      5.511789
  C      -5.871274      1.336017      6.787449
  C      -9.249394      0.792301      3.427465
  H      -8.699793      1.348128     -0.496555
  H      -7.442433      2.313271     -1.328028
  H      -7.496902      0.524490     -1.499832
  H      -8.538538     -0.872973      0.262750
  H      -8.644256     -2.805665      1.821347
  H      -2.154766     -1.524471      4.682028
  H      -5.096931      0.618127      2.358768
  H      -6.704900     12.198429     -0.014024
  H      -5.400933     11.626018     -1.066274
  H      -7.085338     11.659569     -1.680964
  H      -4.814447     11.409187      1.226019
  H      -3.591435     10.493732      3.193447
  H      -5.235252      3.831778      3.031309
  H      -6.850071      7.627344      0.803215
  H     -12.510248      0.261955      0.189328
  H     -11.241039      1.458720     -0.221378
  H     -12.458276      1.864761      0.995224
  H     -10.425236      3.120706      1.227182
  H      -8.829890      4.546637      2.525287
  H      -6.562257      1.170678      7.626506
  H      -9.373819     -0.256671      3.695744
  N      -3.273884      2.135004      3.067897
  N      -2.816320      2.323042      2.051203
88
Coordinates from ORCA-job orca E -6723.645885749875
  N      -2.194844      0.588714      5.097808
  Mo     -3.927747      1.789327      4.963457
  N      -4.589810      1.557346      6.913912
  C      -3.869982      1.967676      8.096452
  C      -2.427194      2.176457      7.648336
  N      -2.323428      2.809906      6.284286
  C      -0.973821      2.504534      5.716081
  C      -0.861100      1.000940      5.446116
  C      -2.547092      4.288200      6.333602
  C      -4.010798      4.600122      6.085710
  N      -4.407641      3.812720      4.920187
  H      -0.150681      0.828339      4.621650
  H      -0.486517      0.447118      6.322870
  H      -0.900563      3.059105      4.772533
  H      -0.180455      2.858957      6.395662
  H      -4.641675      4.330332      6.945744
  H      -4.146561      5.672021      5.882326
  H      -2.186204      4.695433      7.291268
  H      -1.956593      4.734110      5.521957
  H      -3.892275      1.204298      8.892550
  H      -4.299947      2.891834      8.517928
  H      -1.948238      1.194453      7.581566
  H      -1.858388      2.784912      8.368919
  C      -7.628449      1.316444     -0.821596
  C      -6.722480      1.212429      0.384035
  O      -5.941794      2.117680      0.666722
  C      -6.800388     -0.015626      1.231284
  C      -7.785458     -1.000814      1.063243
  C      -7.855929     -2.083648      1.934619
  C      -6.910546     -2.203134      2.947748
  F      -7.019563     -3.251395      3.783434
  C      -5.874038     -1.266866      3.122310
  C      -4.721128     -1.520109      4.037814
  O      -4.362321     -2.664200      4.328546
  N      -3.998087     -0.402212      4.432329
  C      -2.690603     -0.568037      4.760347
  C      -5.864798     -0.167944      2.260460
  C      -6.550808     11.531260     -0.715893
  C      -6.791479     10.117052     -0.232058
  O      -7.654938      9.415362     -0.751014
  C      -5.952948      9.599363      0.892919
  C      -4.964126     10.378837      1.517512
  C      -4.210411      9.847676      2.556718
  C      -4.439405      8.537121      2.973984
  F      -3.654270      8.092035      3.979089
  C      -5.422980      7.719477      2.387252
  C      -5.754090      6.293079      2.755034
  O      -6.648383      5.703699      2.132758
  N      -5.047747      5.767260      3.813426
  C      -4.924340      4.460413      3.863307
  C      -6.159760      8.291179      1.342286
  C     -11.838349      1.059320      0.565884
  C     -10.965322      0.453716      1.644255
  O     -11.051136     -0.741484      1.919812
  C     -10.002497      1.340918      2.359416
  C      -9.832651      2.696166      2.017357
  C      -8.954844      3.503258      2.730759
  C      -8.238465      2.939436      3.781641
  F      -7.491944      3.762418      4.544875
  C      -8.320026      1.579954      4.114848
  C      -7.589105      0.968146      5.266029
  O      -8.157001      0.135932      5.979285
  N      -6.283068      1.390060      5.507265
  C      -5.881812      1.344365      6.786513
  C      -9.242273      0.805955      3.406278
  H      -8.684182      1.301624     -0.511893
  H      -7.420271      2.253739     -1.348048
  H      -7.479175      0.463129     -1.500167
  H      -8.531195     -0.913907      0.273515
  H      -8.645378     -2.830263      1.852379
  H      -2.158240     -1.525755      4.711491
  H      -5.093362      0.592251      2.364513
  H      -6.738949     12.254297      0.092792
  H      -5.506934     11.667938     -1.035996
  H      -7.222556     11.741118     -1.554817
  H      -4.774536     11.403114      1.195847
  H      -3.434144     10.428943      3.055195
  H      -5.215351      3.828541      3.012573
  H      -6.924549      7.675146      0.868146
  H     -12.496425      0.283535      0.160626
  H     -11.225745      1.480104     -0.246545
  H     -12.443736      1.884706      0.969565
  H     -10.398400      3.133807      1.194750
  H      -8.800768      4.555940      2.496289
  H      -6.577621      1.179443      7.621504
  H      -9.372599     -0.241850      3.676066
  N      -3.278873      2.113419      3.068155
  N      -2.816026      2.289400      2.051739
88
Coordinates from ORCA-job orca E -6723.646038055712
  N      -2.203916      0.578157      5.140078
  Mo     -3.931812      1.785510      4.972359
  N      -4.611411      1.572045      6.919479
  C      -3.900675      1.987630      8.105406
  C      -2.453262      2.190866      7.669479
  N      -2.334699      2.812709      6.300979
  C      -0.981272      2.496451      5.749048
  C      -0.871484      0.989852      5.492762
  C      -2.553696      4.292102      6.333088
  C      -4.013628      4.606899      6.064818
  N      -4.400618      3.808874      4.903168
  H      -0.156530      0.809158      4.673895
  H      -0.502856      0.442213      6.375926
  H      -0.894232      3.042780      4.801812
  H      -0.193169      2.852246      6.434171
  H      -4.653203      4.347485      6.921548
  H      -4.142611      5.677222      5.849572
  H      -2.202876      4.707535      7.290973
  H      -1.951617      4.727397      5.524248
  H      -3.932518      1.229445      8.906153
  H      -4.332062      2.915878      8.516487
  H      -1.975817      1.207513      7.614821
  H      -1.890124      2.803922      8.390555
  C      -7.578854      1.315719     -0.812299
  C      -6.682860      1.201990      0.399728
  O      -5.897080      2.100713      0.689125
  C      -6.775742     -0.026313      1.245510
  C      -7.763676     -1.007410      1.069756
  C      -7.846946     -2.087917      1.943389
  C      -6.912150     -2.209473      2.966319
  F      -7.035156     -3.255512      3.802539
  C      -5.873193     -1.277121      3.148878
  C      -4.732690     -1.528291      4.079642
  O      -4.385910     -2.671027      4.389898
  N      -4.005517     -0.410128      4.466482
  C      -2.702294     -0.579574      4.809047
  C      -5.851049     -0.181307      2.283615
  C      -6.703703     11.605574     -0.565534
  C      -6.957723     10.198617     -0.067934
  O      -7.924465      9.556481     -0.468184
  C      -6.004127      9.614895      0.925574
  C      -4.903690     10.332142      1.425588
  C      -4.046761      9.743439      2.347514
  C      -4.287558      8.438305      2.774312
  F      -3.394264      7.925223      3.648351
  C      -5.380258      7.682812      2.311647
  C      -5.729627      6.269186      2.705132
  O      -6.638881      5.682405      2.102275
  N      -5.028668      5.753546      3.772764
  C      -4.908299      4.447709      3.836499
  C      -6.215124      8.308116      1.376981
  C     -11.814795      1.074587      0.520999
  C     -10.946213      0.467111      1.601832
  O     -11.032691     -0.728817      1.874400
  C      -9.989423      1.353791      2.325705
  C      -9.815752      2.708985      1.984414
  C      -8.942915      3.515182      2.704560
  C      -8.235587      2.950795      3.761524
  F      -7.493783      3.774092      4.529023
  C      -8.321220      1.591498      4.094978
  C      -7.600593      0.980740      5.253641
  O      -8.176705      0.153245      5.965963
  N      -6.295718      1.400295      5.502258
  C      -5.902213      1.358631      6.784722
  C      -9.238865      0.818511      3.379262
  H      -8.636305      1.309965     -0.508573
  H      -7.358856      2.251965     -1.335760
  H      -7.432931      0.462066     -1.491147
  H      -8.501983     -0.918355      0.273320
  H      -8.638758     -2.831571      1.855592
  H      -2.173176     -1.539678      4.775232
  H      -5.077304      0.575766      2.393032
  H      -6.754078     12.321970      0.269101
  H      -5.701522     11.696436     -1.010151
  H      -7.462827     11.863679     -1.311331
  H      -4.707115     11.353093      1.097500
  H      -3.180437     10.274110      2.743451
  H      -5.196252      3.808130      2.990487
  H      -7.062745      7.736961      0.996201
  H     -12.468033      0.298378      0.108741
  H     -11.199403      1.501345     -0.286071
  H     -12.425340      1.895920      0.925280
  H     -10.374520      3.146436      1.156983
  H      -8.783943      4.567176      2.470186
  H      -6.603164      1.197002      7.615985
  H      -9.372817     -0.228953      3.648260
  N      -3.263972      2.080844      3.077614
  N      -2.788016      2.241795      2.064777
88
Coordinates from ORCA-job orca E -6723.646051736666
  N      -2.213394      0.569361      5.179289
  Mo     -3.935970      1.782808      4.978886
  N      -4.631633      1.590301      6.923143
  C      -3.928997      2.012366      8.111369
  C      -2.477304      2.208585      7.686274
  N      -2.344827      2.817766      6.313123
  C      -0.988290      2.490281      5.776452
  C      -0.881919      0.980627      5.534962
  C      -2.558659      4.298140      6.327527
  C      -4.014600      4.615716      6.039266
  N      -4.392234      3.806229      4.882509
  H      -0.163145      0.790971      4.721419
  H      -0.518789      0.439930      6.424682
  H      -0.888670      3.027498      4.825210
  H      -0.204771      2.848207      6.465855
  H      -4.662781      4.367558      6.892814
  H      -4.136667      5.684155      5.811476
  H      -2.217482      4.722136      7.285135
  H      -1.945294      4.722386      5.521358
  H      -3.970247      1.260607      8.917738
  H      -4.360834      2.945464      8.511006
  H      -2.002273      1.223564      7.643977
  H      -1.918730      2.826332      8.406851
  C      -7.530326      1.302684     -0.805936
  C      -6.644023      1.181925      0.412347
  O      -5.851684      2.073775      0.705090
  C      -6.752885     -0.043792      1.260440
  C      -7.744605     -1.020463      1.080482
  C      -7.841387     -2.095760      1.959712
  C      -6.916894     -2.216868      2.992297
  F      -7.054310     -3.257706      3.832497
  C      -5.874549     -1.288888      3.179262
  C      -4.745583     -1.536442      4.124253
  O      -4.410699     -2.676971      4.455222
  N      -4.013862     -0.417458      4.500703
  C      -2.714633     -0.589696      4.856502
  C      -5.838848     -0.198932      2.307421
  C      -6.829359     11.681131     -0.397116
  C      -7.089185     10.278989      0.110711
  O      -8.131363      9.693160     -0.168012
  C      -6.047196      9.631006      0.966228
  C      -4.863308     10.289749      1.340239
  C      -3.926469      9.644901      2.139019
  C      -4.173339      8.343072      2.571774
  F      -3.200153      7.764505      3.309136
  C      -5.346985      7.645936      2.234217
  C      -5.705433      6.242035      2.648393
  O      -6.622669      5.653533      2.059416
  N      -5.010079      5.739369      3.726613
  C      -4.891535      4.434856      3.805698
  C      -6.258769      8.323484      1.415084
  C     -11.791937      1.089519      0.477345
  C     -10.928756      0.481263      1.561988
  O     -11.017695     -0.714643      1.834227
  C      -9.976119      1.367431      2.291976
  C      -9.796847      2.721613      1.948662
  C      -8.927594      3.527221      2.673507
  C      -8.229758      2.963388      3.737285
  F      -7.491263      3.787393      4.507313
  C      -8.321051      1.605058      4.073606
  C      -7.611206      0.996970      5.240738
  O      -8.196340      0.176365      5.953822
  N      -6.307097      1.413466      5.495904
  C      -5.921375      1.377365      6.781600
  C      -9.235398      0.832856      3.352772
  H      -8.589229      1.308630     -0.507734
  H      -7.297348      2.235762     -1.329407
  H      -7.389387      0.446380     -1.482469
  H      -8.475642     -0.931256      0.277396
  H      -8.636210     -2.836063      1.869018
  H      -2.188991     -1.552069      4.838095
  H      -5.062034      0.554564      2.419471
  H      -6.751526     12.382410      0.448314
  H      -5.881812     11.737551     -0.952823
  H      -7.657541     11.986296     -1.045270
  H      -4.663572     11.309110      1.009086
  H      -2.993500     10.127921      2.430768
  H      -5.176433      3.786573      2.965279
  H      -7.168283      7.794026      1.127552
  H     -12.441939      0.313151      0.060266
  H     -11.173096      1.518873     -0.325601
  H     -12.405860      1.909095      0.880168
  H     -10.348371      3.158001      1.115861
  H      -8.762642      4.577918      2.437196
  H      -6.627589      1.220743      7.609290
  H      -9.374398     -0.213489      3.623248
  N      -3.251269      2.046997      3.084349
  N      -2.763584      2.191305      2.074620
88
Coordinates from ORCA-job orca E -6723.646137457548
  N      -2.216320      0.575920      5.173065
  Mo     -3.938541      1.789334      4.970979
  N      -4.631694      1.604023      6.916943
  C      -3.925895      2.027933      8.102768
  C      -2.474932      2.221790      7.673919
  N      -2.344252      2.827681      6.299074
  C      -0.988772      2.498500      5.761075
  C      -0.883532      0.987944      5.523704
  C      -2.557380      4.308151      6.310670
  C      -4.013957      4.625131      6.024568
  N      -4.393690      3.813207      4.870318
  H      -0.166931      0.795140      4.709023
  H      -0.518335      0.449859      6.414157
  H      -0.890583      3.033189      4.808284
  H      -0.204056      2.858290      6.448113
  H      -4.660024      4.378833      6.880191
  H      -4.136834      5.693053      5.794955
  H      -2.214383      4.733788      7.266877
  H      -1.945184      4.730310      5.502594
  H      -3.965522      1.278033      8.910910
  H      -4.356097      2.962207      8.501458
  H      -2.000990      1.236210      7.632646
  H      -1.914324      2.840617      8.391977
  C      -7.553079      1.249965     -0.816004
  C      -6.666253      1.148013      0.403628
  O      -5.880443      2.048249      0.688324
  C      -6.766490     -0.071362      1.261251
  C      -7.753616     -1.053914      1.089472
  C      -7.845076     -2.122394      1.976877
  C      -6.918796     -2.231936      3.009014
  F      -7.050796     -3.266999      3.857177
  C      -5.880124     -1.298155      3.187860
  C      -4.748529     -1.536212      4.131884
  O      -4.410270     -2.674174      4.468384
  N      -4.018556     -0.413872      4.502336
  C      -2.717995     -0.584268      4.854916
  C      -5.850558     -0.213985      2.308546
  C      -6.784741     11.721888     -0.377843
  C      -7.051495     10.314371      0.111006
  O      -8.086484      9.728994     -0.194169
  C      -6.025853      9.660749      0.981732
  C      -4.852669     10.319587      1.388244
  C      -3.930544      9.669281      2.199586
  C      -4.182236      8.362238      2.613029
  F      -3.223744      7.777290      3.364819
  C      -5.345464      7.664921      2.243002
  C      -5.703562      6.255509      2.638400
  O      -6.614750      5.670339      2.037233
  N      -5.008260      5.746600      3.714181
  C      -4.891707      4.441410      3.792842
  C      -6.242166      8.347515      1.411616
  C     -11.799808      1.052098      0.481526
  C     -10.935027      0.454424      1.570785
  O     -11.024195     -0.738588      1.855336
  C      -9.980746      1.347479      2.290365
  C      -9.801270      2.697875      1.933420
  C      -8.931657      3.510694      2.649790
  C      -8.233604      2.957643      3.718999
  F      -7.495552      3.789440      4.481227
  C      -8.323999      1.602564      4.068081
  C      -7.613380      1.005398      5.240523
  O      -8.198649      0.191460      5.961067
  N      -6.308757      1.422861      5.491545
  C      -5.921732      1.391533      6.777167
  C      -9.238771      0.823325      3.355532
  H      -8.612119      1.246188     -0.518502
  H      -7.329622      2.181415     -1.346543
  H      -7.402347      0.390075     -1.485824
  H      -8.485894     -0.974154      0.286590
  H      -8.637139     -2.866199      1.892868
  H      -2.193204     -1.547118      4.837654
  H      -5.077302      0.544141      2.414164
  H      -6.722350     12.415181      0.475300
  H      -5.827626     11.784154     -0.916357
  H      -7.601683     12.032479     -1.037620
  H      -4.650334     11.343537      1.073092
  H      -3.006137     10.152558      2.517017
  H      -5.179025      3.792701      2.953567
  H      -7.142554      7.817989      1.097422
  H     -12.451962      0.272240      0.074465
  H     -11.182165      1.471474     -0.327593
  H     -12.411382      1.877088      0.876778
  H     -10.353497      3.126210      1.096881
  H      -8.767646      4.558817      2.402751
  H      -6.627276      1.237603      7.605914
  H      -9.377846     -0.220103      3.636997
  N      -3.256587      2.047648      3.075323
  N      -2.771006      2.188893      2.064115
88
Coordinates from ORCA-job orca E -6723.646261833307
  N      -2.225029      0.575751      5.174597
  Mo     -3.943708      1.792303      4.967827
  N      -4.633804      1.622845      6.917293
  C      -3.924857      2.052187      8.099221
  C      -2.473738      2.235541      7.666283
  N      -2.342988      2.834440      6.288573
  C      -0.989976      2.498508      5.748780
  C      -0.889834      0.986388      5.519474
  C      -2.551847      4.315558      6.294833
  C      -4.007797      4.634811      6.007666
  N      -4.388340      3.818845      4.856524
  H      -0.175711      0.786673      4.704356
  H      -0.524185      0.452393      6.412161
  H      -0.894237      3.027755      4.792702
  H      -0.202228      2.860608      6.431043
  H      -4.655274      4.394532      6.863946
  H      -4.128024      5.702042      5.773436
  H      -2.207538      4.743286      7.249617
  H      -1.939192      4.733926      5.485076
  H      -3.966414      1.309374      8.913692
  H      -4.350087      2.991686      8.490748
  H      -2.004772      1.247271      7.629441
  H      -1.908956      2.855308      8.380306
  C      -7.565245      1.151510     -0.842772
  C      -6.678289      1.076994      0.379027
  O      -5.894228      1.984163      0.645847
  C      -6.779595     -0.123915      1.261958
  C      -7.768904     -1.107270      1.109720
  C      -7.862141     -2.158119      2.017187
  C      -6.935524     -2.249840      3.050626
  F      -7.068491     -3.268030      3.918903
  C      -5.894753     -1.315298      3.211004
  C      -4.761434     -1.541698      4.155998
  O      -4.421968     -2.676198      4.502454
  N      -4.031201     -0.415736      4.515756
  C      -2.729694     -0.585615      4.865876
  C      -5.862998     -0.247820      2.311453
  C      -6.797879     11.769531     -0.312181
  C      -7.057633     10.353747      0.156169
  O      -8.089513      9.767592     -0.158056
  C      -6.028112      9.691231      1.015346
  C      -4.859226     10.350053      1.434769
  C      -3.931443      9.689726      2.231514
  C      -4.173498      8.372588      2.617080
  F      -3.211573      7.777006      3.356705
  C      -5.332387      7.675773      2.234671
  C      -5.676354      6.255931      2.605545
  O      -6.571940      5.667654      1.985249
  N      -4.990430      5.749250      3.688475
  C      -4.879317      4.443421      3.774400
  C      -6.235234      8.368071      1.419107
  C     -11.787911      1.054005      0.465947
  C     -10.925986      0.461751      1.560490
  O     -11.019434     -0.728643      1.854246
  C      -9.967376      1.356564      2.272286
  C      -9.781513      2.702704      1.903973
  C      -8.909729      3.518226      2.614752
  C      -8.215736      2.971696      3.689860
  F      -7.475825      3.807317      4.446356
  C      -8.312643      1.620219      4.050877
  C      -7.609349      1.029869      5.231256
  O      -8.202772      0.225906      5.956355
  N      -6.303281      1.441622      5.485470
  C      -5.924243      1.418061      6.774500
  C      -9.229035      0.838589      3.343135
  H      -8.624471      1.151348     -0.545661
  H      -7.343423      2.072141     -1.392549
  H      -7.412401      0.278364     -1.494685
  H      -8.500506     -1.042902      0.304858
  H      -8.655798     -2.901700      1.947933
  H      -2.207528     -1.549950      4.853097
  H      -5.087605      0.510023      2.401340
  H      -6.734126     12.451552      0.549818
  H      -5.843198     11.841862     -0.853995
  H      -7.618321     12.086642     -0.964521
  H      -4.664893     11.381557      1.140051
  H      -3.010220     10.172997      2.558132
  H      -5.165187      3.791472      2.937312
  H      -7.132580      7.839475      1.094717
  H     -12.443964      0.273797      0.065912
  H     -11.168436      1.463060     -0.347074
  H     -12.395206      1.885525      0.854010
  H     -10.330343      3.126045      1.062654
  H      -8.742793      4.563829      2.359082
  H      -6.635288      1.273364      7.600103
  H      -9.373943     -0.201308      3.634853
  N      -3.265639      2.033705      3.069372
  N      -2.782089      2.164306      2.055743
88
Coordinates from ORCA-job orca E -6723.646373584409
  N      -2.235958      0.573817      5.185603
  Mo     -3.949059      1.795011      4.965420
  N      -4.641695      1.646281      6.916900
  C      -3.931864      2.080825      8.096334
  C      -2.479320      2.251198      7.662876
  N      -2.344093      2.841387      6.282117
  C      -0.992534      2.496234      5.744878
  C      -0.898777      0.982074      5.526795
  C      -2.546716      4.323310      6.280430
  C      -4.000230      4.646316      5.985058
  N      -4.377550      3.824678      4.837168
  H      -0.185639      0.772995      4.713206
  H      -0.535189      0.453523      6.423525
  H      -0.895451      3.018096      4.784850
  H      -0.203207      2.860711      6.423981
  H      -4.652741      4.414079      6.839712
  H      -4.115636      5.712492      5.743703
  H      -2.205105      4.753692      7.234946
  H      -1.929051      4.736087      5.471636
  H      -3.978504      1.345767      8.917454
  H      -4.351714      3.026335      8.479092
  H      -2.016952      1.259603      7.631927
  H      -1.910919      2.871416      8.373700
  C      -7.562739      1.046813     -0.867680
  C      -6.676255      0.997276      0.355849
  O      -5.888118      1.906726      0.602039
  C      -6.784646     -0.182244      1.266130
  C      -7.778738     -1.163474      1.133672
  C      -7.879082     -2.193448      2.063649
  C      -6.954694     -2.267359      3.100411
  F      -7.094196     -3.265137      3.991189
  C      -5.909527     -1.334858      3.242359
  C      -4.777639     -1.548587      4.192058
  O      -4.441013     -2.678631      4.555123
  N      -4.045463     -0.418981      4.537017
  C      -2.743971     -0.588847      4.888410
  C      -5.870383     -0.287266      2.319996
  C      -6.845969     11.830198     -0.199992
  C      -7.096518     10.407182      0.251114
  O      -8.141701      9.831525     -0.037697
  C      -6.040966      9.723592      1.060532
  C      -4.857322     10.370752      1.456691
  C      -3.904415      9.690392      2.205661
  C      -4.137156      8.365138      2.567731
  F      -3.152723      7.746801      3.258009
  C      -5.309488      7.680001      2.207921
  C      -5.639293      6.251981      2.559925
  O      -6.518143      5.658390      1.921776
  N      -4.963509      5.750534      3.652144
  C      -4.857138      4.444370      3.747537
  C      -6.237200      8.391028      1.438634
  C     -11.774740      1.061629      0.440396
  C     -10.915088      0.474327      1.539409
  O     -11.013713     -0.713230      1.842731
  C      -9.952439      1.370629      2.243973
  C      -9.758588      2.711920      1.863315
  C      -8.884984      3.529941      2.568996
  C      -8.197012      2.990522      3.651453
  F      -7.455541      3.830065      4.402342
  C      -8.301974      1.643282      4.025493
  C      -7.608684      1.060770      5.215815
  O      -8.212580      0.268879      5.945539
  N      -6.301413      1.465821      5.475428
  C      -5.932303      1.449723      6.768381
  C      -9.219871      0.859462      3.322175
  H      -8.622019      1.056749     -0.570995
  H      -7.337414      1.953941     -1.438138
  H      -7.412607      0.158730     -1.499683
  H      -8.508169     -1.113943      0.325875
  H      -8.676797     -2.933866      2.009672
  H      -2.225386     -1.555164      4.884384
  H      -5.091035      0.468185      2.394164
  H      -6.747640     12.496732      0.670792
  H      -5.910923     11.907147     -0.774522
  H      -7.687412     12.163060     -0.816806
  H      -4.671441     11.408824      1.180259
  H      -2.971347     10.164277      2.511836
  H      -5.139174      3.787857      2.912857
  H      -7.145126      7.871389      1.129571
  H     -12.434626      0.281262      0.047070
  H     -11.154050      1.461271     -0.376357
  H     -12.377889      1.899041      0.822231
  H     -10.302662      3.129905      1.016222
  H      -8.713650      4.572347      2.303759
  H      -6.650434      1.315199      7.589435
  H      -9.372130     -0.176204      3.625067
  N      -3.269366      2.011992      3.065222
  N      -2.784194      2.127553      2.050556
88
Coordinates from ORCA-job orca E -6723.646454418259
  N      -2.247606      0.576003      5.194172
  Mo     -3.957441      1.798949      4.964022
  N      -4.649864      1.666862      6.918104
  C      -3.938833      2.105979      8.094901
  C      -2.485717      2.267009      7.659780
  N      -2.348833      2.850562      6.276680
  C      -0.998749      2.499283      5.739901
  C      -0.908924      0.983664      5.531070
  C      -2.547987      4.332822      6.269337
  C      -3.999915      4.657166      5.967570
  N      -4.373431      3.831073      4.821884
  H      -0.197215      0.767508      4.718109
  H      -0.545678      0.460077      6.430824
  H      -0.902306      3.015046      4.776467
  H      -0.207649      2.866558      6.415370
  H      -4.656293      4.429840      6.820564
  H      -4.112697      5.722444      5.721045
  H      -2.208889      4.765348      7.223744
  H      -1.926917      4.742292      5.461466
  H      -3.988253      1.376922      8.921141
  H      -4.354786      3.055740      8.471353
  H      -2.028042      1.273132      7.632783
  H      -1.914056      2.887693      8.367648
  C      -7.557171      0.949055     -0.891878
  C      -6.674371      0.924216      0.335204
  O      -5.884736      1.836825      0.564200
  C      -6.789350     -0.235018      1.270341
  C      -7.787574     -1.214197      1.155780
  C      -7.894143     -2.224843      2.105907
  C      -6.971777     -2.282142      3.145401
  F      -7.117038     -3.260825      4.056320
  C      -5.922860     -1.351518      3.270683
  C      -4.792110     -1.553283      4.224434
  O      -4.457065     -2.679006      4.601879
  N      -4.059206     -0.420038      4.556087
  C      -2.757284     -0.588393      4.907700
  C      -5.877219     -0.322500      2.327935
  C      -6.887474     11.886256     -0.086826
  C      -7.132002     10.458103      0.351211
  O      -8.193829      9.896397      0.097500
  C      -6.049763      9.751601      1.103468
  C      -4.846288     10.382908      1.464314
  C      -3.868681      9.681795      2.160755
  C      -4.097654      8.351746      2.506495
  F      -3.092739      7.709902      3.144292
  C      -5.288164      7.682291      2.180610
  C      -5.609206      6.249574      2.520645
  O      -6.475470      5.652315      1.869394
  N      -4.943060      5.753213      3.621321
  C      -4.841896      4.446946      3.725515
  C      -6.240519      8.412659      1.462200
  C     -11.759133      1.068269      0.415307
  C     -10.901683      0.484407      1.517860
  O     -11.004030     -0.701128      1.827752
  C      -9.936433      1.381672      2.217592
  C      -9.735581      2.718928      1.827028
  C      -8.861442      3.539042      2.529639
  C      -8.179790      3.005584      3.618943
  F      -7.438332      3.848247      4.366484
  C      -8.291671      1.661935      4.003386
  C      -7.608107      1.086119      5.202584
  O      -8.221349      0.304418      5.935483
  N      -6.300325      1.485947      5.468370
  C      -5.940235      1.475765      6.764816
  C      -9.209799      0.876171      3.302529
  H      -8.617403      0.967523     -0.598992
  H      -7.327941      1.843125     -1.481100
  H      -7.406881      0.047285     -1.504087
  H      -8.515306     -1.178059      0.345842
  H      -8.695218     -2.962484      2.065671
  H      -2.240451     -1.555617      4.910948
  H      -5.094343      0.430584      2.387810
  H      -6.743221     12.537517      0.789065
  H      -5.978420     11.963552     -0.701678
  H      -7.752180     12.237389     -0.659785
  H      -4.664592     11.425018      1.200725
  H      -2.920266     10.143227      2.437406
  H      -5.119980      3.786791      2.892589
  H      -7.163421      7.905492      1.177771
  H     -12.421294      0.287799      0.026058
  H     -11.137152      1.461682     -0.403480
  H     -12.359775      1.909564      0.792565
  H     -10.274780      3.132496      0.974659
  H      -8.686303      4.578906      2.257031
  H      -6.664495      1.349245      7.581617
  H      -9.368095     -0.156028      3.614122
  N      -3.278921      1.995262      3.061946
  N      -2.793251      2.098162      2.046131
88
Coordinates from ORCA-job orca E -6723.646518224582
  N      -2.258378      0.582362      5.192510
  Mo     -3.968466      1.802216      4.964449
  N      -4.654134      1.676827      6.922983
  C      -3.939986      2.117503      8.096965
  C      -2.488056      2.273709      7.656337
  N      -2.355926      2.857426      6.273444
  C      -1.008075      2.507040      5.730086
  C      -0.918544      0.991406      5.524056
  C      -2.556146      4.339346      6.269691
  C      -4.007994      4.662036      5.967310
  N      -4.377340      3.837376      4.819627
  H      -0.209677      0.773018      4.709250
  H      -0.552634      0.470364      6.424178
  H      -0.918906      3.020924      4.764879
  H      -0.213689      2.877330      6.399884
  H      -4.666805      4.432258      6.817762
  H      -4.122235      5.727495      5.721835
  H      -2.218116      4.769657      7.225442
  H      -1.935607      4.752829      5.463404
  H      -3.988070      1.390706      8.925255
  H      -4.353101      3.068634      8.473125
  H      -2.033064      1.278688      7.627139
  H      -1.911839      2.892736      8.362080
  C      -7.551874      0.854492     -0.919656
  C      -6.677274      0.857897      0.313669
  O      -5.891709      1.777299      0.529235
  C      -6.796283     -0.281947      1.271782
  C      -7.798458     -1.258986      1.175030
  C      -7.909052     -2.252258      2.142903
  C      -6.986433     -2.294617      3.182724
  F      -7.134352     -3.255896      4.111815
  C      -5.934025     -1.365983      3.291300
  C      -4.801337     -1.557922      4.245428
  O      -4.464021     -2.680171      4.630602
  N      -4.070397     -0.420662      4.567271
  C      -2.766484     -0.584353      4.915020
  C      -5.883961     -0.353781      2.330780
  C      -6.917756     11.921746     -0.009678
  C      -7.155576     10.490293      0.421557
  O      -8.227067      9.935695      0.193425
  C      -6.054847      9.771207      1.133499
  C      -4.836936     10.392318      1.462366
  C      -3.842659      9.680162      2.123529
  C      -4.070130      8.348936      2.465037
  F      -3.055644      7.695587      3.075704
  C      -5.272847      7.689143      2.167730
  C      -5.586287      6.253049      2.501759
  O      -6.440542      5.651944      1.838724
  N      -4.928988      5.761076      3.609289
  C      -4.832937      4.454333      3.718520
  C      -6.242681      8.429645      1.485405
  C     -11.740660      1.088138      0.394746
  C     -10.885856      0.502804      1.498561
  O     -10.991460     -0.682232      1.809190
  C      -9.918283      1.397942      2.197485
  C      -9.712089      2.733553      1.804470
  C      -8.838064      3.552911      2.508196
  C      -8.161312      3.020252      3.600725
  F      -7.420540      3.862142      4.349723
  C      -8.278755      1.678151      3.988243
  C      -7.603784      1.103024      5.192300
  O      -8.224299      0.326048      5.923964
  N      -6.295953      1.498243      5.466451
  C      -5.944240      1.489746      6.765893
  C      -9.196411      0.893013      3.285970
  H      -8.614616      0.875827     -0.636077
  H      -7.320726      1.736642     -1.525864
  H      -7.394022     -0.059462     -1.511492
  H      -8.526485     -1.234305      0.365104
  H      -8.713508     -2.986837      2.116366
  H      -2.247956     -1.550649      4.920603
  H      -5.097400      0.396467      2.376329
  H      -6.732063     12.563387      0.865485
  H      -6.033845     11.997605     -0.660469
  H      -7.801568     12.285486     -0.544293
  H      -4.657383     11.435223      1.200856
  H      -2.883914     10.134280      2.375696
  H      -5.104324      3.794063      2.883644
  H      -7.177222      7.932080      1.223231
  H     -12.404726      0.309312      0.005483
  H     -11.116675      1.479077     -0.423742
  H     -12.339184      1.931579      0.770595
  H     -10.247325      3.147092      0.949589
  H      -8.661173      4.592291      2.234543
  H      -6.674015      1.368060      7.578371
  H      -9.359024     -0.137704      3.600419
  N      -3.298215      1.989880      3.060392
  N      -2.815910      2.086558      2.042278
88
Coordinates from ORCA-job orca E -6723.646546911074
  N      -2.262011      0.583372      5.190477
  Mo     -3.968459      1.804430      4.963862
  N      -4.655681      1.680393      6.923403
  C      -3.941318      2.119826      8.097520
  C      -2.489073      2.271311      7.657537
  N      -2.356078      2.856756      6.275767
  C      -1.008944      2.505354      5.730707
  C      -0.921656      0.989894      5.524222
  C      -2.553873      4.339065      6.275348
  C      -4.004160      4.664727      5.969592
  N      -4.370618      3.842535      4.819086
  H      -0.212085      0.770032      4.710457
  H      -0.558498      0.468004      6.424965
  H      -0.921029      3.019175      4.765317
  H      -0.213433      2.875247      6.399297
  H      -4.666756      4.434383      6.816953
  H      -4.116447      5.730668      5.725075
  H      -2.217397      4.766183      7.233037
  H      -1.930766      4.754156      5.471836
  H      -3.991824      1.393364      8.926037
  H      -4.352094      3.071918      8.473878
  H      -2.037588      1.274770      7.626464
  H      -1.910454      2.887149      8.364120
  C      -7.558987      0.798267     -0.935768
  C      -6.676925      0.813575      0.292243
  O      -5.881000      1.728420      0.488068
  C      -6.800725     -0.309697      1.268947
  C      -7.810803     -1.280052      1.189624
  C      -7.925304     -2.259625      2.170963
  C      -6.999337     -2.294270      3.207786
  F      -7.150154     -3.241607      4.150813
  C      -5.940341     -1.371495      3.300584
  C      -4.806442     -1.558792      4.254414
  O      -4.469414     -2.679461      4.644202
  N      -4.074788     -0.420485      4.570231
  C      -2.771199     -0.584113      4.916952
  C      -5.884910     -0.373355      2.325786
  C      -6.947611     11.934593      0.028443
  C      -7.175270     10.500421      0.456384
  O      -8.247992      9.943567      0.239245
  C      -6.063158      9.781305      1.150133
  C      -4.840685     10.402599      1.460110
  C      -3.835490      9.690701      2.105172
  C      -4.057498      8.359256      2.449251
  F      -3.035391      7.706248      3.047192
  C      -5.263153      7.698013      2.166764
  C      -5.566093      6.257825      2.495117
  O      -6.408578      5.651926      1.821369
  N      -4.915435      5.768660      3.607546
  C      -4.819513      4.461434      3.716720
  C      -6.244423      8.438397      1.501423
  C     -11.725878      1.102379      0.377022
  C     -10.877307      0.516822      1.485462
  O     -10.989021     -0.666762      1.799581
  C      -9.907991      1.409974      2.184228
  C      -9.695457      2.743613      1.787930
  C      -8.820662      3.561804      2.492099
  C      -8.149236      3.029996      3.588194
  F      -7.407842      3.870825      4.337622
  C      -8.273130      1.689588      3.979373
  C      -7.604352      1.115000      5.187032
  O      -8.229909      0.342362      5.918920
  N      -6.295823      1.505691      5.464531
  C      -5.946155      1.497618      6.764655
  C      -9.191460      0.905639      3.276549
  H      -8.620233      0.831927     -0.647707
  H      -7.324283      1.669002     -1.556912
  H      -7.410853     -0.126065     -1.513912
  H      -8.542191     -1.259753      0.382802
  H      -8.735092     -2.988611      2.157128
  H      -2.252927     -1.550518      4.924449
  H      -5.091587      0.370598      2.357429
  H      -6.742426     12.572541      0.901947
  H      -6.077956     12.013045     -0.641092
  H      -7.842393     12.300527     -0.485973
  H      -4.665560     11.445390      1.195307
  H      -2.873253     10.145453      2.342365
  H      -5.085059      3.802479      2.879147
  H      -7.182673      7.942375      1.250511
  H     -12.391647      0.325179     -0.012597
  H     -11.097252      1.488722     -0.440091
  H     -12.322451      1.949168      0.748436
  H     -10.226657      3.157142      0.930567
  H      -8.639996      4.599965      2.216234
  H      -6.677876      1.379635      7.575922
  H      -9.358700     -0.123546      3.593554
  N      -3.298245      1.990538      3.061213
  N      -2.815930      2.085106      2.042839
88
Coordinates from ORCA-job orca E -6723.646541223528
  N      -2.264049      0.586355      5.182577
  Mo     -3.969463      1.808294      4.962049
  N      -4.653184      1.681166      6.922912
  C      -3.936885      2.117697      8.096798
  C      -2.485295      2.268259      7.654513
  N      -2.354908      2.856767      6.273745
  C      -1.009104      2.506231      5.724626
  C      -0.922779      0.991323      5.514696
  C      -2.551897      4.339210      6.277673
  C      -4.002370      4.666586      5.975059
  N      -4.370408      3.847792      4.822657
  H      -0.214924      0.772802      4.699083
  H      -0.558364      0.467307      6.413665
  H      -0.923560      3.022116      4.760129
  H      -0.211892      2.874600      6.392009
  H      -4.664218      4.433911      6.822312
  H      -4.114548      5.733244      5.733655
  H      -2.213665      4.763547      7.235963
  H      -1.929697      4.756093      5.474387
  H      -3.986951      1.389542      8.923903
  H      -4.345995      3.069449      8.475873
  H      -2.035384      1.271116      7.620118
  H      -1.904198      2.881660      8.361152
  C      -7.567425      0.769984     -0.945675
  C      -6.684317      0.794034      0.281528
  O      -5.878505      1.703108      0.463033
  C      -6.813947     -0.316859      1.271480
  C      -7.832776     -1.279185      1.207103
  C      -7.950387     -2.248494      2.198287
  C      -7.018264     -2.281919      3.229554
  F      -7.170511     -3.220009      4.181596
  C      -5.951416     -1.366883      3.308036
  C      -4.813301     -1.554703      4.256603
  O      -4.477988     -2.675159      4.648582
  N      -4.079231     -0.416824      4.568221
  C      -2.774692     -0.581106      4.911403
  C      -5.893452     -0.377631      2.324454
  C      -6.947060     11.944296      0.036513
  C      -7.175676     10.510993      0.466876
  O      -8.247653      9.953527      0.247571
  C      -6.063627      9.791694      1.160527
  C      -4.839733     10.411616      1.467184
  C      -3.834647      9.699457      2.112249
  C      -4.058353      8.369100      2.459442
  F      -3.036885      7.715864      3.058198
  C      -5.264967      7.708754      2.178923
  C      -5.568496      6.268838      2.508102
  O      -6.406834      5.661431      1.830224
  N      -4.916166      5.777971      3.618702
  C      -4.818873      4.470252      3.722772
  C      -6.246273      8.449467      1.514018
  C     -11.710556      1.087072      0.365164
  C     -10.862569      0.505701      1.476291
  O     -10.977102     -0.675829      1.797118
  C      -9.893371      1.401254      2.172208
  C      -9.679157      2.732959      1.770215
  C      -8.806906      3.554421      2.473725
  C      -8.140353      3.028168      3.575445
  F      -7.403740      3.873113      4.324909
  C      -8.265102      1.689395      3.972080
  C      -7.601540      1.120346      5.185278
  O      -8.228239      0.347097      5.915506
  N      -6.293182      1.509852      5.464724
  C      -5.943790      1.499836      6.764793
  C      -9.180143      0.901820      3.268943
  H      -8.628365      0.814493     -0.658503
  H      -7.326691      1.631143     -1.577756
  H      -7.425771     -0.162578     -1.512179
  H      -8.568187     -1.260292      0.403948
  H      -8.766301     -2.970725      2.195344
  H      -2.256712     -1.547640      4.917889
  H      -5.093124      0.359334      2.344501
  H      -6.737483     12.583594      0.907896
  H      -6.079447     12.019513     -0.636155
  H      -7.842620     12.310880     -0.476077
  H      -4.663090     11.453452      1.199587
  H      -2.871390     10.153278      2.347000
  H      -5.084362      3.814487      2.882738
  H      -7.186003      7.955441      1.264785
  H     -12.377263      0.308858     -0.020802
  H     -11.081485      1.468793     -0.453767
  H     -12.306179      1.936311      0.732481
  H     -10.207359      3.142622      0.909159
  H      -8.625269      4.591263      2.193561
  H      -6.675411      1.381067      7.576072
  H      -9.348697     -0.125818      3.590185
  N      -3.303807      1.997292      3.058867
  N      -2.824372      2.093164      2.039200
88
Coordinates from ORCA-job orca E -6723.645791675773
  N      -2.252090      0.588633      5.152181
  Mo     -3.957068      1.804148      4.962477
  N      -4.637326      1.641638      6.923841
  C      -3.919719      2.058726      8.103292
  C      -2.470677      2.220723      7.660138
  N      -2.351330      2.834486      6.288948
  C      -1.005893      2.501805      5.726103
  C      -0.911915      0.991797      5.491780
  C      -2.554524      4.316332      6.320964
  C      -4.006083      4.645811      6.027977
  N      -4.372363      3.847713      4.859787
  H      -0.203516      0.789145      4.672560
  H      -0.546845      0.454255      6.382356
  H      -0.929177      3.033308      4.769427
  H      -0.207449      2.864786      6.394884
  H      -4.667340      4.392919      6.869653
  H      -4.122764      5.716302      5.806549
  H      -2.214291      4.724632      7.285413
  H      -1.935109      4.749068      5.523887
  H      -3.967347      1.313633      8.915801
  H      -4.329601      3.001686      8.503301
  H      -2.020320      1.224774      7.604609
  H      -1.885948      2.821659      8.374150
  C      -7.446111      0.634203     -1.073788
  C      -6.577313      0.686207      0.163045
  O      -5.716808      1.552666      0.292688
  C      -6.760771     -0.363319      1.209626
  C      -7.820661     -1.282696      1.189261
  C      -7.976455     -2.205323      2.220019
  C      -7.039331     -2.237968      3.246225
  F      -7.219322     -3.135612      4.232063
  C      -5.937684     -1.362340      3.286145
  C      -4.802976     -1.555059      4.236768
  O      -4.476270     -2.676489      4.634037
  N      -4.066732     -0.419056      4.547403
  C      -2.761620     -0.581528      4.884086
  C      -5.842966     -0.415100      2.265396
  C      -6.993488     11.870757     -0.066568
  C      -7.209697     10.444936      0.394386
  O      -8.256208      9.855720      0.137773
  C      -6.107878      9.764822      1.142024
  C      -4.897734     10.407649      1.450813
  C      -3.901982      9.731791      2.148052
  C      -4.122266      8.414076      2.543460
  F      -3.111613      7.801005      3.198776
  C      -5.312158      7.726393      2.251052
  C      -5.606926      6.288888      2.600986
  O      -6.421748      5.662989      1.908515
  N      -4.944794      5.797840      3.704516
  C      -4.824803      4.489194      3.776321
  C      -6.285429      8.433524      1.538406
  C     -11.762894      1.242581      0.423554
  C     -10.910701      0.628196      1.513588
  O     -11.061702     -0.549142      1.835402
  C      -9.905863      1.490396      2.200932
  C      -9.663045      2.820714      1.808485
  C      -8.768758      3.615886      2.514488
  C      -8.112655      3.066614      3.611182
  F      -7.365415      3.890584      4.372610
  C      -8.260771      1.725559      3.993209
  C      -7.605550      1.132022      5.199373
  O      -8.235868      0.349619      5.916398
  N      -6.292418      1.501829      5.478970
  C      -5.929215      1.463537      6.772826
  C      -9.193940      0.963310      3.285486
  H      -8.508361      0.741384     -0.811909
  H      -7.156748      1.445418     -1.749881
  H      -7.337484     -0.335496     -1.582964
  H      -8.557233     -1.263694      0.387516
  H      -8.820435     -2.894138      2.245412
  H      -2.237922     -1.544827      4.885128
  H      -5.007864      0.283463      2.251270
  H      -6.801374     12.536280      0.788648
  H      -6.116819     11.935698     -0.729115
  H      -7.884044     12.212112     -0.604480
  H      -4.721021     11.438248      1.142417
  H      -2.949110     10.204866      2.386439
  H      -5.079895      3.852241      2.919174
  H      -7.216331      7.927320      1.281298
  H     -12.459894      0.487452      0.045251
  H     -11.138258      1.611398     -0.404569
  H     -12.326265      2.106353      0.807433
  H     -10.188442      3.251570      0.956230
  H      -8.564950      4.651178      2.242984
  H      -6.653205      1.335849      7.589978
  H      -9.383437     -0.063487      3.596963
  N      -3.301215      2.032553      3.065038
  N      -2.830786      2.150225      2.043104
88
Coordinates from ORCA-job orca E -6723.646496061331
  N      -2.263922      0.590459      5.172488
  Mo     -3.966059      1.813690      4.956287
  N      -4.652487      1.680050      6.916540
  C      -3.937354      2.109842      8.093238
  C      -2.485308      2.260285      7.653329
  N      -2.355069      2.854504      6.274896
  C      -1.009072      2.506346      5.724134
  C      -0.922782      0.992553      5.508598
  C      -2.551098      4.337178      6.285966
  C      -4.000662      4.667677      5.983612
  N      -4.366646      3.855753      4.825397
  H      -0.214007      0.776854      4.693020
  H      -0.560498      0.464586      6.406060
  H      -0.923442      3.025901      4.761632
  H      -0.211910      2.872135      6.393006
  H      -4.664440      4.429262      6.827642
  H      -4.111739      5.735765      5.748342
  H      -2.213132      4.756905      7.246366
  H      -1.927389      4.756862      5.485281
  H      -3.989990      1.376642      8.915885
  H      -4.345386      3.059945      8.477696
  H      -2.037754      1.262282      7.614433
  H      -1.902615      2.869381      8.362223
  C      -7.522678      0.723734     -0.992430
  C      -6.645608      0.756723      0.239067
  O      -5.829616      1.658812      0.408970
  C      -6.794791     -0.333701      1.248805
  C      -7.824917     -1.284815      1.196250
  C      -7.957703     -2.237812      2.201716
  C      -7.028435     -2.266887      3.235446
  F      -7.191145     -3.191344      4.199059
  C      -5.951937     -1.362394      3.303752
  C      -4.818353     -1.548739      4.257363
  O      -4.486203     -2.668854      4.653391
  N      -4.080933     -0.411875      4.563451
  C      -2.776996     -0.577700      4.907373
  C      -5.879137     -0.388286      2.306386
  C      -6.943358     11.949486      0.026531
  C      -7.163946     10.512861      0.449965
  O      -8.228664      9.946982      0.217171
  C      -6.054584      9.802381      1.157079
  C      -4.835205     10.428344      1.467548
  C      -3.833066      9.724655      2.126598
  C      -4.055695      8.396693      2.483888
  F      -3.038057      7.753861      3.099591
  C      -5.256821      7.728684      2.196082
  C      -5.557273      6.288329      2.525263
  O      -6.403828      5.684345      1.853136
  N      -4.907674      5.794472      3.635417
  C      -4.809147      4.485872      3.728978
  C      -6.235604      8.461943      1.518604
  C     -11.750437      1.084607      0.396959
  C     -10.893801      0.502925      1.501269
  O     -11.008600     -0.677903      1.824896
  C      -9.915722      1.396825      2.186692
  C      -9.704908      2.728888      1.783230
  C      -8.830072      3.551193      2.482432
  C      -8.157843      3.025765      3.581146
  F      -7.425336      3.873132      4.331434
  C      -8.274958      1.685368      3.975300
  C      -7.603971      1.115441      5.184233
  O      -8.225588      0.341819      5.918321
  N      -6.297175      1.511478      5.461222
  C      -5.943229      1.498329      6.759627
  C      -9.193382      0.897020      3.277162
  H      -8.585357      0.782658     -0.715026
  H      -7.269052      1.572285     -1.636337
  H      -7.385997     -0.219183     -1.543012
  H      -8.557675     -1.268346      0.390698
  H      -8.781530     -2.951051      2.205553
  H      -2.259237     -1.544248      4.917247
  H      -5.068536      0.338004      2.317560
  H      -6.733575     12.586443      0.899370
  H      -6.077414     12.030064     -0.647900
  H      -7.840934     12.313863     -0.484023
  H      -4.658424     11.468058      1.191673
  H      -2.873185     10.183624      2.364864
  H      -5.069547      3.837791      2.881550
  H      -7.172902      7.965789      1.264732
  H     -12.421606      0.307098      0.017320
  H     -11.127627      1.464646     -0.427540
  H     -12.341796      1.935065      0.768239
  H     -10.239460      3.138800      0.926252
  H      -8.651254      4.588669      2.202381
  H      -6.672255      1.375416      7.572727
  H      -9.358669     -0.131073      3.598165
  N      -3.301248      2.009888      3.055447
  N      -2.823897      2.110042      2.035047
88
Coordinates from ORCA-job orca E -6723.643895081324
  N      -2.252636      0.602970      5.177553
  Mo     -3.975802      1.802570      4.947714
  N      -4.656523      1.681492      6.910236
  C      -3.944648      2.131606      8.081753
  C      -2.494699      2.295902      7.637423
  N      -2.371502      2.879495      6.254129
  C      -1.021601      2.543163      5.707171
  C      -0.916339      1.027975      5.504762
  C      -2.588312      4.358996      6.251322
  C      -4.043262      4.664156      5.945703
  N      -4.398327      3.835797      4.795786
  H      -0.207159      0.815003      4.688822
  H      -0.542711      0.513366      6.405411
  H      -0.942330      3.055473      4.740187
  H      -0.228989      2.924603      6.372739
  H      -4.701978      4.425804      6.793886
  H      -4.169403      5.728337      5.700714
  H      -2.257148      4.792058      7.208239
  H      -1.971490      4.781316      5.446709
  H      -3.986622      1.408312      8.913277
  H      -4.363620      3.081473      8.454458
  H      -2.033040      1.303954      7.608103
  H      -1.920770      2.919942      8.340649
  C      -7.795887      0.800285     -0.761920
  C      -6.848316      0.809015      0.416364
  O      -6.089432      1.754988      0.612294
  C      -6.890603     -0.344368      1.364034
  C      -7.869130     -1.346576      1.295111
  C      -7.922475     -2.346147      2.260521
  C      -6.967608     -2.367283      3.270985
  F      -7.064805     -3.330092      4.205261
  C      -5.935231     -1.413941      3.348858
  C      -4.775938     -1.577258      4.276388
  O      -4.410350     -2.690734      4.660642
  N      -4.056666     -0.426129      4.572956
  C      -2.748805     -0.571801      4.914491
  C      -5.937799     -0.399666      2.388747
  C      -6.926459     11.997048      0.123420
  C      -7.158005     10.550301      0.504034
  O      -8.234401     10.005386      0.275245
  C      -6.051269      9.809267      1.183158
  C      -4.828120     10.418490      1.515565
  C      -3.828362      9.686558      2.146179
  C      -4.056982      8.347796      2.454893
  F      -3.040543      7.673573      3.039499
  C      -5.263991      7.699241      2.152483
  C      -5.569992      6.253917      2.451786
  O      -6.406478      5.658477      1.762057
  N      -4.939196      5.756934      3.572936
  C      -4.845364      4.449701      3.688068
  C      -6.239128      8.458830      1.500235
  C     -11.611166      1.097156      0.252810
  C     -10.841981      0.529076      1.426153
  O     -11.030729     -0.628172      1.796427
  C      -9.840270      1.400895      2.105401
  C      -9.540246      2.696683      1.646253
  C      -8.633879      3.498653      2.328854
  C      -8.015833      2.985768      3.464611
  F      -7.233097      3.816171      4.183236
  C      -8.224172      1.676391      3.917772
  C      -7.594355      1.120438      5.153965
  O      -8.262770      0.410804      5.911515
  N      -6.280607      1.485981      5.441487
  C      -5.944893      1.492735      6.746530
  C      -9.177647      0.913860      3.238850
  H      -8.840550      0.776090     -0.414882
  H      -7.632678      1.702754     -1.360271
  H      -7.641908     -0.094623     -1.383120
  H      -8.627923     -1.333662      0.513766
  H      -8.712984     -3.095320      2.260810
  H      -2.219274     -1.532076      4.927079
  H      -5.172070      0.372520      2.414819
  H      -6.712672     12.603742      1.016932
  H      -6.061072     12.094732     -0.549026
  H      -7.823111     12.384235     -0.371855
  H      -4.648973     11.467521      1.279893
  H      -2.865484     10.131278      2.399533
  H      -5.098450      3.787668      2.848961
  H      -7.177608      7.971881      1.233668
  H     -12.307362      0.338395     -0.119564
  H     -10.930098      1.398183     -0.558301
  H     -12.169025      1.997308      0.551788
  H     -10.026402      3.093690      0.754959
  H      -8.384926      4.507439      2.003984
  H      -6.683337      1.382547      7.552491
  H      -9.409761     -0.086731      3.602585
  N      -3.315235      1.981783      3.040471
  N      -2.837530      2.074449      2.019807
88
Coordinates from ORCA-job orca E -6723.646521481004
  N      -2.261772      0.586725      5.180795
  Mo     -3.969061      1.806810      4.956958
  N      -4.652329      1.682406      6.918380
  C      -3.934506      2.113182      8.093296
  C      -2.483325      2.265106      7.649707
  N      -2.355218      2.856737      6.269835
  C      -1.009167      2.508953      5.720190
  C      -0.920513      0.994095      5.509914
  C      -2.555317      4.338893      6.275931
  C      -4.006441      4.663440      5.972297
  N      -4.370338      3.845954      4.817335
  H      -0.214195      0.777372      4.692476
  H      -0.552762      0.470427      6.407694
  H      -0.924283      3.025701      4.756093
  H      -0.212335      2.877928      6.387761
  H      -4.668130      4.426673      6.818439
  H      -4.120592      5.730435      5.733811
  H      -2.219014      4.762591      7.235205
  H      -1.933096      4.758041      5.473837
  H      -3.984911      1.382247      8.917844
  H      -4.342076      3.064314      8.475479
  H      -2.033574      1.267989      7.612602
  H      -1.901232      2.877147      8.356623
  C      -7.570023      0.744620     -0.939106
  C      -6.682198      0.769494      0.284638
  O      -5.885496      1.685974      0.469224
  C      -6.806359     -0.342284      1.274116
  C      -7.819404     -1.310502      1.208517
  C      -7.935823     -2.277325      2.202229
  C      -7.007716     -2.302596      3.237358
  F      -7.159117     -3.237737      4.192310
  C      -5.946116     -1.381694      3.316967
  C      -4.810816     -1.560385      4.270198
  O      -4.474199     -2.677970      4.669420
  N      -4.077092     -0.419997      4.573172
  C      -2.772041     -0.582264      4.916474
  C      -5.888915     -0.395640      2.330157
  C      -6.950045     11.952422      0.057091
  C      -7.176381     10.515606      0.476457
  O      -8.250135      9.960463      0.260300
  C      -6.062806      9.792979      1.164416
  C      -4.838587     10.411890      1.472336
  C      -3.832169      9.696658      2.111793
  C      -4.055271      8.364896      2.453693
  F      -3.031521      7.707490      3.044152
  C      -5.263005      7.706322      2.174529
  C      -5.566289      6.267138      2.504342
  O      -6.406301      5.657832      1.829885
  N      -4.915246      5.777565      3.615995
  C      -4.814155      4.470044      3.716922
  C      -6.244947      8.449467      1.513010
  C     -11.703743      1.092092      0.351148
  C     -10.864946      0.520947      1.474494
  O     -10.975355     -0.660089      1.798682
  C      -9.902581      1.423106      2.171288
  C      -9.691895      2.753863      1.764866
  C      -8.823353      3.580132      2.467043
  C      -8.155443      3.059333      3.570709
  F      -7.423699      3.911077      4.316924
  C      -8.274806      1.720667      3.970813
  C      -7.607514      1.151106      5.182598
  O      -8.232863      0.374665      5.910740
  N      -6.295995      1.532623      5.459703
  C      -5.943701      1.508184      6.759795
  C      -9.189968      0.930041      3.271111
  H      -8.630297      0.778370     -0.647691
  H      -7.338800      1.610925     -1.567698
  H      -7.422720     -0.183864     -1.510987
  H      -8.552508     -1.297444      0.403029
  H      -8.749599     -3.001861      2.199305
  H      -2.253271     -1.548298      4.927548
  H      -5.093480      0.346501      2.352536
  H      -6.732169     12.583526      0.932275
  H      -6.088130     12.032569     -0.622389
  H      -7.849491     12.324350     -0.444754
  H      -4.662572     11.455251      1.210201
  H      -2.868228     10.149168      2.346297
  H      -5.075855      3.816444      2.874044
  H      -7.185109      7.956303      1.263467
  H     -12.363290      0.308726     -0.036695
  H     -11.068008      1.471292     -0.463813
  H     -12.306520      1.941121      0.707073
  H     -10.218930      3.158321      0.900625
  H      -8.643743      4.616404      2.183753
  H      -6.675220      1.389535      7.571047
  H      -9.355704     -0.097176      3.594874
  N      -3.305937      1.991042      3.052606
  N      -2.828526      2.085232      2.031770
88
Coordinates from ORCA-job orca E -6723.646261666498
  N      -2.255228      0.602038      5.166698
  Mo     -3.963178      1.816835      4.949716
  N      -4.654300      1.670536      6.907618
  C      -3.948145      2.102513      8.088701
  C      -2.494880      2.262267      7.655561
  N      -2.362170      2.861039      6.279413
  C      -1.012392      2.522411      5.731663
  C      -0.917059      1.010202      5.507518
  C      -2.566315      4.342477      6.296044
  C      -4.016718      4.665774      5.990255
  N      -4.373105      3.857793      4.826266
  H      -0.205807      0.803492      4.691760
  H      -0.552989      0.479047      6.402360
  H      -0.926046      3.047776      4.772372
  H      -0.219411      2.888727      6.405196
  H      -4.681955      4.418469      6.830539
  H      -4.133476      5.734441      5.760494
  H      -2.234141      4.759789      7.259505
  H      -1.942214      4.769220      5.499392
  H      -3.999758      1.366848      8.909175
  H      -4.364242      3.049025      8.473443
  H      -2.041801      1.266849      7.615986
  H      -1.918450      2.872737      8.368367
  C      -7.530947      0.718679     -0.984320
  C      -6.660272      0.761097      0.251388
  O      -5.839813      1.660343      0.414655
  C      -6.801039     -0.331571      1.259845
  C      -7.829790     -1.284464      1.212636
  C      -7.953451     -2.240191      2.216839
  C      -7.016347     -2.270298      3.243425
  F      -7.170580     -3.196857      4.206399
  C      -5.940960     -1.363998      3.305710
  C      -4.800222     -1.548303      4.251171
  O      -4.466214     -2.666945      4.649948
  N      -4.066447     -0.408566      4.554818
  C      -2.761890     -0.568458      4.898997
  C      -5.877672     -0.386981      2.310620
  C      -6.925279     11.950105      0.006148
  C      -7.149712     10.515186      0.433353
  O      -8.206937      9.943776      0.180768
  C      -6.046501      9.807502      1.152854
  C      -4.832304     10.436598      1.476883
  C      -3.835415      9.735323      2.146446
  C      -4.058255      8.406498      2.500264
  F      -3.045648      7.765877      3.126444
  C      -5.254739      7.735577      2.199687
  C      -5.554924      6.294602      2.525453
  O      -6.387997      5.686300      1.840388
  N      -4.914716      5.800072      3.640845
  C      -4.811959      4.491485      3.730479
  C      -6.228010      8.466444      1.511863
  C     -11.793442      1.114150      0.422657
  C     -10.923766      0.513142      1.506315
  O     -11.055841     -0.665573      1.831150
  C      -9.923353      1.389727      2.181723
  C      -9.699742      2.720898      1.781732
  C      -8.803362      3.527177      2.472214
  C      -8.124728      2.987597      3.560159
  F      -7.367305      3.820243      4.302089
  C      -8.257126      1.648002      3.951498
  C      -7.582275      1.064647      5.151489
  O      -8.212989      0.309973      5.897620
  N      -6.282872      1.476261      5.439863
  C      -5.941695      1.475794      6.742148
  C      -9.193347      0.874716      3.259991
  H      -8.594997      0.774589     -0.712680
  H      -7.277299      1.564972     -1.631164
  H      -7.387821     -0.226430     -1.529625
  H      -8.568149     -1.267683      0.412318
  H      -8.776137     -2.954777      2.224902
  H      -2.239090     -1.532263      4.908699
  H      -5.068167      0.340545      2.317774
  H      -6.726854     12.591419      0.878405
  H      -6.050961     12.028078     -0.657793
  H      -7.816509     12.311088     -0.517739
  H      -4.655169     11.476827      1.203293
  H      -2.879371     10.196738      2.395188
  H      -5.063520      3.846823      2.877869
  H      -7.161147      7.968064      1.247167
  H     -12.484237      0.349168      0.052895
  H     -11.181661      1.488784     -0.412425
  H     -12.363983      1.971765      0.809857
  H     -10.240142      3.142344      0.934098
  H      -8.612925      4.563251      2.194470
  H      -6.675516      1.343065      7.549331
  H      -9.369292     -0.152339      3.579004
  N      -3.295952      2.021974      3.051176
  N      -2.817766      2.127928      2.031711
88
Coordinates from ORCA-job orca E -6723.646595546691
  N      -2.264572      0.594720      5.166240
  Mo     -3.972791      1.812261      4.952365
  N      -4.650861      1.678389      6.915898
  C      -3.933169      2.109902      8.090380
  C      -2.483067      2.265323      7.645018
  N      -2.359431      2.859752      6.266130
  C      -1.014109      2.516346      5.711409
  C      -0.923267      1.002630      5.494701
  C      -2.561480      4.341584      6.277808
  C      -4.013540      4.665521      5.979398
  N      -4.378483      3.852685      4.821407
  H      -0.218440      0.790509      4.674763
  H      -0.553106      0.475632      6.389522
  H      -0.932847      3.036908      4.749061
  H      -0.216161      2.884305      6.378163
  H      -4.673474      4.423565      6.825410
  H      -4.129856      5.733360      5.745690
  H      -2.222850      4.762542      7.237449
  H      -1.941902      4.764080      5.475405
  H      -3.980415      1.376612      8.913111
  H      -4.342947      3.058842      8.475766
  H      -2.031979      1.268931      7.605024
  H      -1.900220      2.876964      8.351595
  C      -7.554585      0.726220     -0.961257
  C      -6.673342      0.758694      0.267158
  O      -5.866185      1.667891      0.441747
  C      -6.808091     -0.341590      1.268028
  C      -7.830598     -1.300510      1.212671
  C      -7.953717     -2.259129      2.213792
  C      -7.022626     -2.285954      3.246053
  F      -7.178480     -3.214195      4.207041
  C      -5.952541     -1.374064      3.316203
  C      -4.816604     -1.554281      4.268376
  O      -4.480607     -2.672017      4.667829
  N      -4.080961     -0.414380      4.567404
  C      -2.775080     -0.575619      4.906649
  C      -5.889035     -0.395168      2.322694
  C      -6.928772     11.959638      0.031229
  C      -7.155214     10.522165      0.448527
  O      -8.218634      9.958378      0.205197
  C      -6.051634      9.807007      1.160062
  C      -4.834664     10.431015      1.484618
  C      -3.837297      9.722475      2.145541
  C      -4.062214      8.391842      2.490963
  F      -3.047976      7.743158      3.106472
  C      -5.262199      7.726889      2.192203
  C      -5.565887      6.286299      2.515739
  O      -6.405413      5.682145      1.835376
  N      -4.921562      5.790616      3.628850
  C      -4.822614      4.482121      3.724406
  C      -6.235592      8.464510      1.511898
  C     -11.723675      1.089706      0.374241
  C     -10.879130      0.508392      1.488038
  O     -11.002018     -0.670679      1.815072
  C      -9.902167      1.400182      2.177685
  C      -9.681906      2.729647      1.770858
  C      -8.805186      3.548894      2.471248
  C      -8.140279      3.022846      3.574203
  F      -7.402049      3.867168      4.322252
  C      -8.268002      1.685209      3.973013
  C      -7.602085      1.114798      5.184098
  O      -8.226357      0.339014      5.913935
  N      -6.293915      1.505754      5.461843
  C      -5.940809      1.492610      6.761103
  C      -9.188335      0.900171      3.273686
  H      -8.616602      0.770144     -0.678276
  H      -7.313412      1.583342     -1.598573
  H      -7.409527     -0.210032     -1.521006
  H      -8.565644     -1.285773      0.409145
  H      -8.773542     -2.976788      2.217022
  H      -2.254609     -1.540710      4.917290
  H      -5.085101      0.338220      2.336767
  H      -6.725397     12.593393      0.907935
  H      -6.057254     12.041119     -0.635849
  H      -7.821676     12.327075     -0.485319
  H      -4.656300     11.472934      1.218394
  H      -2.879049     10.179478      2.394093
  H      -5.081361      3.833559      2.876826
  H      -7.170592      7.968994      1.248329
  H     -12.395249      0.313715     -0.007767
  H     -11.092398      1.463482     -0.446680
  H     -12.314163      1.944397      0.737159
  H     -10.209498      3.139309      0.909445
  H      -8.618303      4.584137      2.188747
  H      -6.669378      1.367924      7.574188
  H      -9.360919     -0.125946      3.597316
  N      -3.317638      2.004744      3.047393
  N      -2.845715      2.103873      2.024392
88
Coordinates from ORCA-job orca E -6723.646575286301
  N      -2.252333      0.598916      5.168485
  Mo     -3.968257      1.805866      4.947352
  N      -4.650396      1.670308      6.909632
  C      -3.936716      2.101713      8.086593
  C      -2.486665      2.265998      7.643763
  N      -2.363772      2.863621      6.266156
  C      -1.015125      2.529207      5.714566
  C      -0.914169      1.016003      5.498040
  C      -2.575891      4.344060      6.278684
  C      -4.028986      4.658289      5.974203
  N      -4.383127      3.843829      4.814071
  H      -0.207237      0.808681      4.678677
  H      -0.541055      0.491570      6.393142
  H      -0.934961      3.050618      4.752575
  H      -0.221074      2.902035      6.383284
  H      -4.690765      4.411305      6.817299
  H      -4.151291      5.725566      5.741007
  H      -2.244256      4.766275      7.240220
  H      -1.955998      4.771822      5.479320
  H      -3.981800      1.366472      8.907636
  H      -4.351581      3.047941      8.473165
  H      -2.029709      1.272290      7.602907
  H      -1.908684      2.879812      8.352485
  C      -7.605193      0.704898     -0.921896
  C      -6.711377      0.741005      0.297271
  O      -5.919374      1.663232      0.473123
  C      -6.818521     -0.369915      1.289699
  C      -7.826284     -1.344362      1.235871
  C      -7.927441     -2.310007      2.232520
  C      -6.989662     -2.327192      3.258962
  F      -7.125701     -3.261586      4.216937
  C      -5.932532     -1.400153      3.326179
  C      -4.788476     -1.568648      4.270976
  O      -4.444979     -2.682218      4.675515
  N      -4.061323     -0.422305      4.567248
  C      -2.754829     -0.574711      4.909491
  C      -5.890252     -0.415979      2.336705
  C      -6.933871     11.954587      0.037234
  C      -7.161248     10.515851      0.449523
  O      -8.227303      9.955453      0.210008
  C      -6.057076      9.796747      1.156140
  C      -4.839309     10.418768      1.482317
  C      -3.841485      9.706681      2.138651
  C      -4.066935      8.374803      2.478598
  F      -3.052015      7.721496      3.088367
  C      -5.268200      7.712610      2.180003
  C      -5.572955      6.272498      2.503754
  O      -6.401921      5.663251      1.815373
  N      -4.929080      5.779057      3.618196
  C      -4.823409      4.471290      3.714038
  C      -6.241502      8.453007      1.502839
  C     -11.698461      1.157650      0.337733
  C     -10.855709      0.560223      1.444283
  O     -10.970159     -0.626502      1.745570
  C      -9.889487      1.445235      2.157371
  C      -9.677490      2.784288      1.778829
  C      -8.810454      3.595723      2.500053
  C      -8.145295      3.051462      3.593982
  F      -7.418853      3.886247      4.364026
  C      -8.263254      1.704493      3.963663
  C      -7.594023      1.112891      5.162906
  O      -8.220687      0.334324      5.887615
  N      -6.287528      1.504284      5.448480
  C      -5.939166      1.481467      6.749502
  C      -9.176774      0.928114      3.246142
  H      -8.664582      0.728679     -0.626457
  H      -7.385251      1.571742     -1.553742
  H      -7.451083     -0.223576     -1.492042
  H      -8.567352     -1.336850      0.437740
  H      -8.736418     -3.039938      2.237902
  H      -2.228672     -1.536685      4.922800
  H      -5.098239      0.330027      2.349553
  H      -6.727028     12.584348      0.915997
  H      -6.064383     12.037766     -0.632259
  H      -7.827982     12.325497     -0.474754
  H      -4.661170     11.462016      1.221223
  H      -2.882537     10.161856      2.387955
  H      -5.075985      3.821284      2.865657
  H      -7.176886      7.958337      1.238821
  H     -12.361548      0.384361     -0.064055
  H     -11.065588      1.553255     -0.471656
  H     -12.297825      1.999971      0.714754
  H     -10.204332      3.207342      0.923441
  H      -8.631137      4.638401      2.240446
  H      -6.670958      1.352328      7.558894
  H      -9.342638     -0.105798      3.547723
  N      -3.309706      1.997788      3.043173
  N      -2.835587      2.097414      2.021260
88
Coordinates from ORCA-job orca E -6723.646617704139
  N      -2.260694      0.595338      5.166139
  Mo     -3.972336      1.807672      4.947694
  N      -4.650228      1.677036      6.912198
  C      -3.932887      2.107756      8.087031
  C      -2.483194      2.265691      7.640982
  N      -2.361460      2.861186      6.262353
  C      -1.015409      2.521646      5.707396
  C      -0.920182      1.007991      5.491936
  C      -2.568106      4.342407      6.274096
  C      -4.020492      4.661708      5.972067
  N      -4.379374      3.847763      4.813004
  H      -0.216215      0.797509      4.670830
  H      -0.546598      0.482982      6.386490
  H      -0.936205      3.041882      4.744689
  H      -0.218267      2.892510      6.373510
  H      -4.681852      4.417392      6.816241
  H      -4.139519      5.729258      5.738376
  H      -2.233065      4.764109      7.234658
  H      -1.948133      4.767289      5.473250
  H      -3.979134      1.373854      8.909251
  H      -4.343445      3.056112      8.473061
  H      -2.030450      1.270076      7.600352
  H      -1.901015      2.878056      8.347503
  C      -7.579353      0.672267     -0.945245
  C      -6.697040      0.717949      0.281999
  O      -5.898657      1.635672      0.452285
  C      -6.818279     -0.380981      1.286072
  C      -7.832942     -1.348609      1.237480
  C      -7.944990     -2.304147      2.242855
  C      -7.011033     -2.318589      3.272790
  F      -7.156445     -3.243938      4.238156
  C      -5.947849     -1.398104      3.335658
  C      -4.807364     -1.566327      4.284638
  O      -4.467327     -2.679559      4.693038
  N      -4.075048     -0.421618      4.574389
  C      -2.768262     -0.577593      4.913204
  C      -5.895010     -0.423262      2.337619
  C      -6.952027     11.963170      0.058486
  C      -7.173166     10.522702      0.468111
  O      -8.237804      9.959045      0.229873
  C      -6.063759      9.805201      1.168124
  C      -4.845761     10.429442      1.488635
  C      -3.842830      9.718706      2.138706
  C      -4.063581      8.385915      2.478252
  F      -3.043955      7.734394      3.081908
  C      -5.264567      7.721002      2.183987
  C      -5.563815      6.278772      2.503883
  O      -6.401938      5.673784      1.822657
  N      -4.919638      5.784573      3.617622
  C      -4.818643      4.476352      3.713593
  C      -6.243180      8.460334      1.513277
  C     -11.694821      1.153739      0.337984
  C     -10.853853      0.559435      1.447570
  O     -10.974640     -0.624470      1.757540
  C      -9.882765      1.444389      2.154064
  C      -9.663566      2.779467      1.765537
  C      -8.793431      3.592036      2.481639
  C      -8.133311      3.053239      3.581302
  F      -7.403110      3.890296      4.345482
  C      -8.258883      1.709810      3.961580
  C      -7.596811      1.125402      5.168368
  O      -8.227401      0.351744      5.894831
  N      -6.288566      1.511094      5.453104
  C      -5.939799      1.492574      6.754135
  C      -9.173963      0.931908      3.247604
  H      -8.641445      0.705562     -0.661282
  H      -7.348019      1.529970     -1.585436
  H      -7.424869     -0.264051     -1.502364
  H      -8.570533     -1.343355      0.436198
  H      -8.758330     -3.029295      2.250985
  H      -2.245273     -1.541239      4.928355
  H      -5.096735      0.316228      2.345900
  H      -6.740346     12.591332      0.937190
  H      -6.087264     12.049625     -0.616763
  H      -7.850231     12.333273     -0.446869
  H      -4.671107     11.473317      1.227643
  H      -2.883593     10.175756      2.383355
  H      -5.075507      3.827143      2.865860
  H      -7.178842      7.964473      1.252543
  H     -12.362090      0.381129     -0.058175
  H     -11.060795      1.541069     -0.474482
  H     -12.289721      2.001378      0.710097
  H     -10.186802      3.198512      0.906001
  H      -8.607839      4.631483      2.213546
  H      -6.671336      1.367826      7.564462
  H      -9.345550     -0.098808      3.556878
  N      -3.318837      1.993977      3.041813
  N      -2.847823      2.090077      2.018078
88
Coordinates from ORCA-job orca E -6723.646612269114
  N      -2.269932      0.608583      5.151310
  Mo     -3.983761      1.818977      4.943361
  N      -4.651553      1.682572      6.911795
  C      -3.930038      2.111798      8.084397
  C      -2.482418      2.271309      7.632434
  N      -2.367736      2.870767      6.255176
  C      -1.024113      2.534817      5.692238
  C      -0.928110      1.022045      5.471021
  C      -2.576032      4.351587      6.273526
  C      -4.029816      4.669887      5.977829
  N      -4.390688      3.860328      4.816316
  H      -0.228662      0.815434      4.645078
  H      -0.548658      0.494373      6.361520
  H      -0.950633      3.058453      4.730910
  H      -0.223992      2.904588      6.355370
  H      -4.688251      4.420722      6.822868
  H      -4.151264      5.738243      5.749177
  H      -2.238166      4.769749      7.234632
  H      -1.959476      4.780627      5.472254
  H      -3.972073      1.376132      8.905249
  H      -4.339843      3.059002      8.474128
  H      -2.029574      1.275969      7.586996
  H      -1.897151      2.882040      8.337815
  C      -7.569913      0.657332     -0.962594
  C      -6.692718      0.708528      0.268087
  O      -5.898141      1.629317      0.439715
  C      -6.819086     -0.384959      1.277356
  C      -7.835009     -1.351362      1.230438
  C      -7.951610     -2.301536      2.240503
  C      -7.020788     -2.312279      3.273267
  F      -7.170706     -3.232293      4.243045
  C      -5.956689     -1.392691      3.334862
  C      -4.818760     -1.557062      4.287266
  O      -4.476143     -2.669116      4.696705
  N      -4.086327     -0.411023      4.571372
  C      -2.777721     -0.565359      4.903105
  C      -5.899393     -0.422971      2.332189
  C      -6.904452     11.996598      0.060524
  C      -7.136859     10.557612      0.469130
  O      -8.202057      9.999230      0.221107
  C      -6.036567      9.833845      1.177022
  C      -4.816751     10.450632      1.504751
  C      -3.822213      9.733994      2.161279
  C      -4.053376      8.402742      2.499891
  F      -3.041852      7.745127      3.110502
  C      -5.256531      7.745055      2.198188
  C      -5.566130      6.304364      2.515740
  O      -6.395588      5.701319      1.822253
  N      -4.926402      5.803196      3.628841
  C      -4.830106      4.494016      3.720037
  C      -6.226453      8.490158      1.521360
  C     -11.716035      1.090663      0.362081
  C     -10.869889      0.507653      1.473695
  O     -10.990178     -0.672732      1.797246
  C      -9.892996      1.398931      2.163961
  C      -9.674307      2.728980      1.758477
  C      -8.800890      3.549418      2.461315
  C      -8.137560      3.023871      3.565430
  F      -7.401752      3.869280      4.315291
  C      -8.263000      1.685415      3.962854
  C      -7.601182      1.117447      5.177631
  O      -8.228313      0.345490      5.908760
  N      -6.292895      1.506484      5.457375
  C      -5.940844      1.494088      6.757966
  C      -9.180054      0.898967      3.260687
  H      -8.633396      0.687992     -0.683864
  H      -7.338133      1.513933     -1.604096
  H      -7.410178     -0.280055     -1.516460
  H      -8.570615     -1.348412      0.427452
  H      -8.765738     -3.025755      2.249498
  H      -2.253417     -1.528296      4.916246
  H      -5.099761      0.315189      2.339163
  H      -6.692170     12.623904      0.939657
  H      -6.036155     12.076549     -0.611045
  H      -7.797727     12.372431     -0.449308
  H      -4.633842     11.493156      1.244029
  H      -2.861655     10.185218      2.411478
  H      -5.088037      3.848895      2.869450
  H      -7.163502      8.000347      1.254406
  H     -12.386168      0.314527     -0.022205
  H     -11.085833      1.468628     -0.457756
  H     -12.308100      1.942882      0.728174
  H     -10.200212      3.137895      0.895719
  H      -8.614590      4.584741      2.178844
  H      -6.669518      1.365660      7.570255
  H      -9.351836     -0.127572      3.583551
  N      -3.341963      2.007988      3.034411
  N      -2.877610      2.105597      2.007724
88
Coordinates from ORCA-job orca E -6723.646648174456
  N      -2.264398      0.606937      5.151334
  Mo     -3.980938      1.813563      4.940509
  N      -4.649720      1.677203      6.908841
  C      -3.929330      2.105708      8.082310
  C      -2.481783      2.268325      7.630962
  N      -2.367846      2.868921      6.254123
  C      -1.023207      2.536341      5.691824
  C      -0.923521      1.023783      5.470376
  C      -2.579931      4.349219      6.272768
  C      -4.034076      4.663996      5.974826
  N      -4.390971      3.854091      4.812279
  H      -0.224088      0.819214      4.643894
  H      -0.542083      0.496900      6.360496
  H      -0.950410      3.060462      4.730711
  H      -0.224278      2.907758      6.355485
  H      -4.693218      4.412613      6.818651
  H      -4.157718      5.732192      5.746682
  H      -2.244608      4.767908      7.234536
  H      -1.963267      4.780125      5.472578
  H      -3.970676      1.368930      8.902172
  H      -4.340599      3.051915      8.472929
  H      -2.026939      1.273898      7.585132
  H      -1.897976      2.879822      8.336888
  C      -7.580697      0.636595     -0.951508
  C      -6.701695      0.691606      0.277681
  O      -5.908840      1.614408      0.446572
  C      -6.821676     -0.402185      1.287415
  C      -7.835733     -1.370791      1.245049
  C      -7.946868     -2.319878      2.256788
  C      -7.012631     -2.327381      3.286512
  F      -7.157877     -3.246094      4.258196
  C      -5.950060     -1.405686      3.343223
  C      -4.809163     -1.565669      4.292803
  O      -4.466809     -2.675413      4.708699
  N      -4.078735     -0.417390      4.573548
  C      -2.769938     -0.568559      4.905969
  C      -5.898220     -0.437233      2.339030
  C      -6.920252     11.987309      0.060265
  C      -7.147979     10.546708      0.465798
  O      -8.210482      9.984667      0.214578
  C      -6.046450      9.826022      1.174961
  C      -4.829696     10.446961      1.506274
  C      -3.833847      9.733006      2.163683
  C      -4.060418      8.400232      2.499470
  F      -3.047468      7.745936      3.111293
  C      -5.260691      7.738570      2.194795
  C      -5.566507      6.296691      2.510471
  O      -6.401506      5.695198      1.822250
  N      -4.926475      5.796350      3.623663
  C      -4.828680      4.487389      3.714995
  C      -6.232029      8.481240      1.517210
  C     -11.701254      1.138357      0.343091
  C     -10.855533      0.544415      1.449232
  O     -10.974429     -0.639644      1.759600
  C      -9.882706      1.430134      2.152296
  C      -9.666112      2.765221      1.762436
  C      -8.796615      3.579750      2.476902
  C      -8.134955      3.043138      3.576677
  F      -7.404533      3.882077      4.338957
  C      -8.257992      1.699920      3.958453
  C      -7.597061      1.120130      5.168184
  O      -8.226729      0.346243      5.895023
  N      -6.288889      1.506448      5.452130
  C      -5.938596      1.488231      6.753311
  C      -9.171654      0.919447      3.245312
  H      -8.643797      0.664016     -0.671014
  H      -7.352745      1.493424     -1.594078
  H      -7.418951     -0.300718     -1.504963
  H      -8.574283     -1.370186      0.444744
  H      -8.759468     -3.045773      2.269484
  H      -2.243817     -1.530464      4.921613
  H      -5.100436      0.302880      2.342776
  H      -6.711922     12.613792      0.940921
  H      -6.051074     12.071757     -0.609618
  H      -7.814009     12.360710     -0.450513
  H      -4.650272     11.490659      1.247855
  H      -2.875585     10.187498      2.416779
  H      -5.084998      3.842061      2.864041
  H      -7.166772      7.988131      1.248169
  H     -12.368937      0.365185     -0.051292
  H     -11.070598      1.527303     -0.471238
  H     -12.295914      1.984887      0.718094
  H     -10.190690      3.182538      0.902907
  H      -8.612151      4.618801      2.206916
  H      -6.668522      1.358571      7.564251
  H      -9.341600     -0.111227      3.555791
  N      -3.338991      2.001164      3.031494
  N      -2.874742      2.098508      2.004723
88
Coordinates from ORCA-job orca E -6723.646694466128
  N      -2.263490      0.611685      5.140257
  Mo     -3.985678      1.810944      4.931968
  N      -4.647035      1.673403      6.904186
  C      -3.924216      2.098898      8.076846
  C      -2.478570      2.265834      7.620798
  N      -2.371801      2.871216      6.245663
  C      -1.028153      2.546226      5.677118
  C      -0.922629      1.034577      5.451432
  C      -2.590824      4.350415      6.269739
  C      -4.046269      4.659081      5.971660
  N      -4.397219      3.851671      4.805523
  H      -0.227993      0.835708      4.619504
  H      -0.532331      0.507349      6.337489
  H      -0.961858      3.073296      4.717136
  H      -0.228068      2.919662      6.338246
  H      -4.705146      4.400834      6.813564
  H      -4.174846      5.727579      5.747775
  H      -2.258121      4.767018      7.233293
  H      -1.975941      4.787547      5.471544
  H      -3.961674      1.359494      8.894471
  H      -4.335762      3.043362      8.471437
  H      -2.021675      1.272550      7.570362
  H      -1.893497      2.876645      8.326288
  C      -7.596714      0.559448     -0.943204
  C      -6.721184      0.633756      0.287380
  O      -5.935016      1.563729      0.448239
  C      -6.831947     -0.452763      1.305931
  C      -7.841569     -1.426486      1.275634
  C      -7.945049     -2.366249      2.296943
  C      -7.007856     -2.359651      3.323935
  F      -7.145967     -3.269755      4.304678
  C      -5.949117     -1.432834      3.368386
  C      -4.804928     -1.577561      4.316214
  O      -4.457381     -2.681040      4.744135
  N      -4.077091     -0.423423      4.580567
  C      -2.766087     -0.567527      4.906631
  C      -5.904773     -0.474009      2.354686
  C      -6.933012     11.996281      0.078593
  C      -7.156627     10.552591      0.475301
  O      -8.217629      9.989149      0.220936
  C      -6.054405      9.831875      1.183382
  C      -4.839493     10.454396      1.518527
  C      -3.842595      9.740092      2.173954
  C      -4.066382      8.405491      2.504278
  F      -3.052172      7.751035      3.113941
  C      -5.264929      7.742340      2.196104
  C      -5.568213      6.298831      2.506899
  O      -6.404563      5.699092      1.818699
  N      -4.928759      5.796849      3.619445
  C      -4.830364      4.487715      3.708022
  C      -6.237194      8.485356      1.520270
  C     -11.669159      1.204351      0.306839
  C     -10.825835      0.595748      1.406809
  O     -10.940218     -0.594079      1.696297
  C      -9.859771      1.473784      2.128559
  C      -9.646718      2.815631      1.760612
  C      -8.785280      3.622750      2.492860
  C      -8.127851      3.071856      3.588055
  F      -7.407299      3.902690      4.368621
  C      -8.246626      1.722248      3.948061
  C      -7.590260      1.127967      5.153503
  O      -8.226166      0.354401      5.875069
  N      -6.282139      1.508731      5.444880
  C      -5.935118      1.483672      6.747760
  C      -9.152999      0.949084      3.217819
  H      -8.660739      0.577956     -0.665771
  H      -7.375875      1.413012     -1.592575
  H      -7.424085     -0.380852     -1.488340
  H      -8.583073     -1.436404      0.478198
  H      -8.753965     -3.096072      2.318889
  H      -2.236271     -1.527302      4.926498
  H      -5.110164      0.269438      2.349065
  H      -6.722719     12.617986      0.962110
  H      -6.066219     12.086000     -0.593766
  H      -7.828929     12.371105     -0.427345
  H      -4.662364     11.499591      1.264616
  H      -2.885614     10.195793      2.429731
  H      -5.085142      3.844547      2.854929
  H      -7.170463      7.990989      1.248360
  H     -12.330934      0.434769     -0.104163
  H     -11.036523      1.610691     -0.497401
  H     -12.269946      2.041180      0.693651
  H     -10.167908      3.243791      0.904390
  H      -8.603921      4.666690      2.239994
  H      -6.666787      1.350830      7.556498
  H      -9.320306     -0.087024      3.511229
  N      -3.353765      1.993672      3.019872
  N      -2.895369      2.088880      1.990212
88
Coordinates from ORCA-job orca E -6723.646757554375
  N      -2.260702      0.615410      5.122508
  Mo     -3.990730      1.805727      4.919795
  N      -4.640360      1.662219      6.897648
  C      -3.913809      2.081644      8.069576
  C      -2.471042      2.255980      7.607143
  N      -2.374620      2.869793      6.235345
  C      -1.032718      2.555801      5.657628
  C      -0.919729      1.045795      5.422560
  C      -2.603056      4.347417      6.268732
  C      -4.060397      4.648418      5.971571
  N      -4.404375      3.846365      4.799484
  H      -0.232775      0.856927      4.581903
  H      -0.516156      0.515913      6.301064
  H      -0.974825      3.089041      4.700511
  H      -0.230896      2.930041      6.316216
  H      -4.718131      4.379567      6.810991
  H      -4.195573      5.717663      5.755456
  H      -2.273434      4.759905      7.235077
  H      -1.990947      4.793812      5.473527
  H      -3.945422      1.337073      8.882641
  H      -4.325911      3.022899      8.471284
  H      -2.010779      1.264607      7.549052
  H      -1.884508      2.865269      8.312754
  C      -7.610616      0.487340     -0.929033
  C      -6.734256      0.574588      0.299895
  O      -5.951302      1.508709      0.452717
  C      -6.838205     -0.505172      1.326279
  C      -7.847061     -1.480079      1.309807
  C      -7.945213     -2.408813      2.341815
  C      -7.004243     -2.391004      3.365196
  F      -7.138595     -3.290555      4.356038
  C      -5.945998     -1.463016      3.395659
  C      -4.799995     -1.592165      4.343076
  O      -4.450542     -2.687802      4.788979
  N      -4.073754     -0.432115      4.587391
  C      -2.760362     -0.568334      4.904322
  C      -5.906660     -0.515376      2.371271
  C      -6.945866     11.991875      0.069313
  C      -7.162860     10.544923      0.457693
  O      -8.215124      9.973329      0.186028
  C      -6.065976      9.832115      1.182047
  C      -4.861234     10.463830      1.536225
  C      -3.868593      9.756231      2.205085
  C      -4.086161      8.419229      2.530086
  F      -3.074214      7.772884      3.152024
  C      -5.275435      7.747261      2.204562
  C      -5.575737      6.302158      2.511126
  O      -6.415953      5.704388      1.825716
  N      -4.934539      5.796967      3.620787
  C      -4.834298      4.487739      3.703646
  C      -6.243104      8.484032      1.515136
  C     -11.628938      1.290255      0.266370
  C     -10.790988      0.661523      1.359044
  O     -10.900419     -0.535386      1.620254
  C      -9.834451      1.528040      2.106835
  C      -9.626542      2.878619      1.769310
  C      -8.774889      3.674366      2.524677
  C      -8.121613      3.103342      3.611935
  F      -7.412174      3.921995      4.415615
  C      -8.234459      1.745577      3.941781
  C      -7.581756      1.131474      5.139685
  O      -8.224385      0.357840      5.854963
  N      -6.273154      1.504738      5.437824
  C      -5.927258      1.469329      6.742134
  C      -9.132529      0.983605      3.189734
  H      -8.674428      0.500112     -0.650614
  H      -7.395975      1.338273     -1.583919
  H      -7.432785     -0.455163     -1.468836
  H      -8.592752     -1.497950      0.516522
  H      -8.753566     -3.138744      2.374911
  H      -2.226198     -1.525571      4.929121
  H      -5.113009      0.228828      2.355695
  H      -6.750864     12.612191      0.957260
  H      -6.071856     12.090374     -0.592460
  H      -7.838396     12.361533     -0.446331
  H      -4.688733     11.510913      1.286936
  H      -2.919109     10.219039      2.475672
  H      -5.089117      3.848649      2.847344
  H      -7.168142      7.981711      1.229655
  H     -12.282548      0.526493     -0.167889
  H     -10.992146      1.719232     -0.522685
  H     -12.237979      2.114112      0.667827
  H     -10.143994      3.321940      0.918598
  H      -8.597103      4.724136      2.294972
  H      -6.659149      1.329295      7.549293
  H      -9.296122     -0.059548      3.459443
  N      -3.372869      1.984893      3.003511
  N      -2.923140      2.079299      1.969889
88
Coordinates from ORCA-job orca E -6723.646799949692
  N      -2.262117      0.622587      5.101939
  Mo     -3.998831      1.805344      4.905354
  N      -4.635191      1.656182      6.890091
  C      -3.903925      2.068420      8.060944
  C      -2.464218      2.248077      7.591492
  N      -2.378389      2.871259      6.223829
  C      -1.039195      2.567394      5.635801
  C      -0.920603      1.059122      5.390470
  C      -2.615075      4.347345      6.268110
  C      -4.073791      4.642184      5.970755
  N      -4.409997      3.846817      4.791761
  H      -0.242128      0.880020      4.540765
  H      -0.503895      0.525844      6.260757
  H      -0.990029      3.107123      4.681811
  H      -0.234739      2.941423      6.291295
  H      -4.731469      4.362587      6.806612
  H      -4.214510      5.712393      5.763128
  H      -2.289057      4.754144      7.238031
  H      -2.004813      4.803677      5.477129
  H      -3.930358      1.318794      8.869435
  H      -4.315109      3.006943      8.469990
  H      -2.002154      1.258016      7.524634
  H      -1.874878      2.854362      8.297402
  C      -7.631853      0.411228     -0.915617
  C      -6.756124      0.515715      0.312167
  O      -5.971706      1.450770      0.451425
  C      -6.851762     -0.555975      1.347812
  C      -7.858781     -1.532890      1.345971
  C      -7.950237     -2.450190      2.388803
  C      -7.005671     -2.419294      3.408518
  F      -7.134185     -3.308536      4.409308
  C      -5.949012     -1.489203      3.424473
  C      -4.801074     -1.601695      4.371493
  O      -4.448826     -2.688965      4.834829
  N      -4.075316     -0.436244      4.593439
  C      -2.759713     -0.565404      4.900373
  C      -5.915352     -0.553809      2.388565
  C      -6.948872     12.003719      0.075668
  C      -7.159114     10.552043      0.449865
  O      -8.204221      9.974963      0.162757
  C      -6.067600      9.843802      1.186775
  C      -4.872331     10.482440      1.560322
  C      -3.884165      9.778801      2.239772
  C      -4.096627      8.438946      2.556444
  F      -3.087720      7.797642      3.188477
  C      -5.276976      7.760281      2.212532
  C      -5.574243      6.312880      2.511142
  O      -6.412990      5.716651      1.822404
  N      -4.935125      5.804009      3.620056
  C      -4.833833      4.494588      3.697064
  C      -6.239863      8.493363      1.512409
  C     -11.590898      1.340159      0.227960
  C     -10.756815      0.701178      1.317597
  O     -10.863528     -0.499295      1.563625
  C      -9.810524      1.562531      2.084073
  C      -9.607995      2.918552      1.765882
  C      -8.766622      3.708944      2.537971
  C      -8.117114      3.126945      3.621590
  F      -7.419238      3.939597      4.441661
  C      -8.223825      1.764284      3.932268
  C      -7.575041      1.139621      5.127165
  O      -8.223761      0.368476      5.839435
  N      -6.265967      1.506549      5.430158
  C      -5.920871      1.461108      6.735963
  C      -9.113550      1.007769      3.165017
  H      -8.695647      0.421575     -0.637157
  H      -7.421118      1.255945     -1.579768
  H      -7.449953     -0.536248     -1.445404
  H      -8.608306     -1.560356      0.556706
  H      -8.757139     -3.181038      2.433516
  H      -2.221818     -1.520406      4.930405
  H      -5.122803      0.191048      2.361815
  H      -6.765592     12.618322      0.970027
  H      -6.069944     12.113191     -0.577883
  H      -7.839292     12.371457     -0.444979
  H      -4.703924     11.531870      1.318192
  H      -2.941746     10.246989      2.525427
  H      -5.086214      3.860289      2.836492
  H      -7.156968      7.984617      1.212771
  H     -12.237916      0.579072     -0.220607
  H     -10.951219      1.782931     -0.550993
  H     -12.206567      2.155390      0.636855
  H     -10.122020      3.370114      0.917502
  H      -8.593628      4.762629      2.323322
  H      -6.653002      1.314064      7.541455
  H      -9.273462     -0.039637      3.419759
  N      -3.394955      1.979726      2.985141
  N      -2.953581      2.072162      1.947685
88
Coordinates from ORCA-job orca E -6723.645309828897
  N      -2.260079      0.627130      5.097969
  Mo     -4.004112      1.795076      4.894663
  N      -4.626725      1.655821      6.881583
  C      -3.892838      2.074136      8.047213
  C      -2.455714      2.259417      7.576083
  N      -2.379265      2.878318      6.211840
  C      -1.042732      2.583442      5.624583
  C      -0.918633      1.077036      5.382407
  C      -2.621889      4.348610      6.253286
  C      -4.080936      4.632825      5.946391
  N      -4.410761      3.834308      4.768765
  H      -0.245039      0.902011      4.533952
  H      -0.493483      0.550748      6.249991
  H      -1.001110      3.119146      4.672583
  H      -0.236396      2.965974      6.276501
  H      -4.736845      4.353147      6.775454
  H      -4.224991      5.697812      5.738133
  H      -2.297847      4.758614      7.222525
  H      -2.013930      4.804490      5.468543
  H      -3.913884      1.329544      8.856301
  H      -4.305160      3.010402      8.452095
  H      -1.991752      1.273690      7.510269
  H      -1.864049      2.868464      8.277897
  C      -7.649341      0.295786     -0.901801
  C      -6.773586      0.419026      0.326532
  O      -5.990323      1.359306      0.450918
  C      -6.865369     -0.638358      1.383191
  C      -7.870162     -1.620094      1.400220
  C      -7.955857     -2.525816      2.461341
  C      -7.007555     -2.478584      3.479195
  F      -7.129594     -3.357843      4.495574
  C      -5.952339     -1.541712      3.476490
  C      -4.800131     -1.630465      4.424954
  O      -4.445092     -2.707179      4.911935
  N      -4.074155     -0.456229      4.618544
  C      -2.756871     -0.569692      4.923439
  C      -5.925337     -0.619022      2.423466
  C      -6.990804     12.050139      0.142111
  C      -7.194197     10.588105      0.496343
  O      -8.241647     10.017720      0.216827
  C      -6.090767      9.861554      1.208508
  C      -4.895599     10.493553      1.576102
  C      -3.897970      9.773963      2.233319
  C      -4.100363      8.424446      2.533306
  F      -3.082686      7.766527      3.142711
  C      -5.279069      7.751502      2.193843
  C      -5.569077      6.295625      2.478716
  O      -6.407315      5.693835      1.779962
  N      -4.929547      5.791867      3.591889
  C      -4.830883      4.481291      3.672467
  C      -6.251618      8.500450      1.515965
  C     -11.546446      1.448092      0.153668
  C     -10.714797      0.780208      1.235109
  O     -10.816472     -0.436234      1.446967
  C      -9.776581      1.632272      2.035565
  C      -9.574120      3.005354      1.750404
  C      -8.742467      3.785255      2.553466
  C      -8.101164      3.174711      3.634461
  F      -7.414186      3.973167      4.486132
  C      -8.206000      1.796337      3.911344
  C      -7.563626      1.142650      5.101811
  O      -8.221990      0.365134      5.804825
  N      -6.252660      1.505779      5.418336
  C      -5.911833      1.455438      6.725686
  C      -9.088212      1.050725      3.114861
  H      -8.712264      0.309324     -0.619004
  H      -7.439820      1.132063     -1.582084
  H      -7.467398     -0.660873     -1.419656
  H      -8.622279     -1.660296      0.612356
  H      -8.760710     -3.259900      2.521021
  H      -2.216749     -1.519380      4.974060
  H      -5.135644      0.129812      2.383992
  H      -6.778700     12.655799      1.042188
  H      -6.127546     12.158167     -0.533455
  H      -7.897067     12.434860     -0.350823
  H      -4.735969     11.550285      1.346414
  H      -2.956747     10.236736      2.513876
  H      -5.083095      3.846373      2.811785
  H      -7.168620      7.996617      1.221378
  H     -12.189403      0.689795     -0.321539
  H     -10.898675      1.919608     -0.611174
  H     -12.171276      2.253586      0.581622
  H     -10.081230      3.477776      0.903758
  H      -8.570735      4.851409      2.364579
  H      -6.646926      1.303208      7.526640
  H      -9.246832     -0.010142      3.342784
  N      -3.418778      1.947918      2.972375
  N      -2.987884      2.028319      1.930610
88
Coordinates from ORCA-job orca E -6723.640288915642
  N      -2.271254      0.628838      5.071331
  Mo     -4.019329      1.800825      4.892531
  N      -4.634882      1.648183      6.890492
  C      -3.893525      2.059070      8.053890
  C      -2.454549      2.239110      7.564601
  N      -2.386449      2.872632      6.199926
  C      -1.049855      2.582298      5.586194
  C      -0.923616      1.073183      5.337791
  C      -2.632531      4.348781      6.257937
  C      -4.096216      4.639996      5.964477
  N      -4.425192      3.851132      4.782508
  H      -0.254127      0.903237      4.472638
  H      -0.488145      0.536617      6.202955
  H      -1.022569      3.127772      4.629904
  H      -0.235017      2.960603      6.226747
  H      -4.757942      4.350644      6.798433
  H      -4.241827      5.713016      5.762476
  H      -2.308776      4.745056      7.230889
  H      -2.023199      4.821400      5.471089
  H      -3.912533      1.307185      8.863747
  H      -4.303437      2.997782      8.468241
  H      -1.992774      1.247760      7.487232
  H      -1.855165      2.840919      8.264450
  C      -7.640773      0.270370     -0.922470
  C      -6.768121      0.405293      0.304710
  O      -5.979965      1.350931      0.419021
  C      -6.864928     -0.645961      1.370636
  C      -7.866119     -1.632215      1.389400
  C      -7.956679     -2.530663      2.456232
  C      -7.018175     -2.471024      3.480389
  F      -7.144877     -3.343268      4.503191
  C      -5.967276     -1.530613      3.477157
  C      -4.818917     -1.618588      4.424645
  O      -4.470714     -2.697969      4.916910
  N      -4.091814     -0.445822      4.614230
  C      -2.769797     -0.565118      4.898817
  C      -5.933884     -0.615337      2.416116
  C      -6.905489     12.105394      0.121878
  C      -7.125185     10.626882      0.484305
  O      -8.156520     10.041587      0.201870
  C      -6.062934      9.907409      1.211447
  C      -4.889374     10.560429      1.590427
  C      -3.923945      9.844682      2.257707
  C      -4.136444      8.477896      2.557014
  F      -3.154124      7.823669      3.176991
  C      -5.294554      7.784611      2.208249
  C      -5.583598      6.309082      2.488338
  O      -6.423904      5.683002      1.778837
  N      -4.951693      5.812062      3.610381
  C      -4.845331      4.502196      3.689720
  C      -6.235539      8.528801      1.519047
  C     -11.532876      1.363853      0.190030
  C     -10.708538      0.724191      1.281210
  O     -10.810351     -0.479026      1.513034
  C      -9.770769      1.585288      2.060530
  C      -9.568672      2.950048      1.752451
  C      -8.743689      3.744609      2.541562
  C      -8.105446      3.156346      3.625922
  F      -7.426089      3.969125      4.466139
  C      -8.208358      1.783957      3.925766
  C      -7.579383      1.154768      5.126317
  O      -8.254516      0.406774      5.845713
  N      -6.261747      1.503619      5.435133
  C      -5.922387      1.455105      6.740593
  C      -9.085554      1.023805      3.145595
  H      -8.707035      0.296009     -0.635466
  H      -7.423437      1.100665     -1.614979
  H      -7.461409     -0.699344     -1.430391
  H      -8.611400     -1.681981      0.597356
  H      -8.760051     -3.266082      2.517072
  H      -2.230266     -1.516811      4.933282
  H      -5.147834      0.137732      2.374427
  H      -6.725573     12.719648      1.007414
  H      -6.031029     12.225547     -0.529079
  H      -7.779132     12.481188     -0.387198
  H      -4.722557     11.631337      1.362268
  H      -3.001481     10.323510      2.547219
  H      -5.100568      3.869808      2.830409
  H      -7.132906      8.006455      1.212601
  H     -12.169710      0.597864     -0.274713
  H     -10.878236      1.822951     -0.574759
  H     -12.166340      2.167800      0.600605
  H     -10.074961      3.409262      0.902317
  H      -8.581187      4.808784      2.342225
  H      -6.659211      1.312856      7.542636
  H      -9.247405     -0.030029      3.394633
  N      -3.446554      1.965053      2.958354
  N      -3.020092      2.051371      1.907527
88
Coordinates from ORCA-job orca E -6723.639437831815
  N      -2.293396      0.631170      5.054707
  Mo     -4.032712      1.811610      4.890632
  N      -4.650515      1.650862      6.896550
  C      -3.903333      2.055034      8.059079
  C      -2.463042      2.222539      7.560185
  N      -2.393615      2.864222      6.194332
  C      -1.060908      2.568283      5.561915
  C      -0.941652      1.059624      5.310524
  C      -2.633043      4.343371      6.263588
  C      -4.094911      4.650077      5.978155
  N      -4.426708      3.871612      4.795535
  H      -0.273841      0.888310      4.432919
  H      -0.504708      0.512453      6.176474
  H      -1.040917      3.119780      4.601135
  H      -0.239021      2.937130      6.193983
  H      -4.762420      4.359766      6.815803
  H      -4.235076      5.728193      5.777737
  H      -2.309748      4.724369      7.239400
  H      -2.018209      4.824030      5.475270
  H      -3.926032      1.301805      8.872259
  H      -4.307472      2.998275      8.476270
  H      -2.009349      1.225562      7.476355
  H      -1.858186      2.816143      8.260684
  C      -7.617560      0.244810     -0.950687
  C      -6.753225      0.390488      0.281480
  O      -5.965582      1.337423      0.391356
  C      -6.859472     -0.647344      1.357169
  C      -7.860311     -1.631197      1.378971
  C      -7.960590     -2.513559      2.453304
  C      -7.034947     -2.438333      3.485523
  F      -7.170416     -3.294409      4.516417
  C      -5.986403     -1.502081      3.479996
  C      -4.848772     -1.588783      4.429395
  O      -4.514808     -2.665265      4.931344
  N      -4.119193     -0.422160      4.615563
  C      -2.799584     -0.552506      4.886428
  C      -5.939910     -0.603883      2.408149
  C      -6.911929     12.147907      0.141742
  C      -7.142231     10.673385      0.515252
  O      -8.191768     10.109345      0.253103
  C      -6.064130      9.933743      1.226269
  C      -4.870349     10.564596      1.584629
  C      -3.890241      9.831258      2.237800
  C      -4.108303      8.469774      2.543070
  F      -3.112052      7.792900      3.147894
  C      -5.285084      7.799033      2.214272
  C      -5.579816      6.330754      2.505425
  O      -6.427256      5.699977      1.801317
  N      -4.948006      5.839173      3.628301
  C      -4.842631      4.529191      3.707548
  C      -6.240884      8.558068      1.538655
  C     -11.498502      1.291083      0.217363
  C     -10.684457      0.685933      1.317889
  O     -10.790150     -0.494994      1.574299
  C      -9.748227      1.551892      2.071988
  C      -9.541346      2.896663      1.736145
  C      -8.725445      3.703417      2.509200
  C      -8.098846      3.144726      3.600747
  F      -7.429994      3.968933      4.427681
  C      -8.203925      1.788898      3.928169
  C      -7.595675      1.192252      5.142515
  O      -8.292999      0.490935      5.879862
  N      -6.274602      1.517065      5.444172
  C      -5.937310      1.467353      6.749131
  C      -9.073337      1.017955      3.165649
  H      -8.683552      0.292377     -0.663522
  H      -7.388187      1.062129     -1.659642
  H      -7.444631     -0.738870     -1.445996
  H      -8.597700     -1.691437      0.582521
  H      -8.762721     -3.246860      2.513966
  H      -2.272258     -1.504683      4.911054
  H      -5.152349      0.145161      2.360403
  H      -6.706658     12.755723      1.026682
  H      -6.045413     12.253481     -0.528918
  H      -7.794749     12.541287     -0.354993
  H      -4.700835     11.632314      1.352192
  H      -2.952557     10.292635      2.511162
  H      -5.101850      3.900255      2.851406
  H      -7.155479      8.052139      1.247468
  H     -12.132921      0.524496     -0.230271
  H     -10.840985      1.724621     -0.548743
  H     -12.130800      2.094551      0.606174
  H     -10.040751      3.336381      0.879977
  H      -8.567089      4.757239      2.293236
  H      -6.674672      1.334697      7.549075
  H      -9.241723     -0.019736      3.439254
  N      -3.469065      1.974157      2.944581
  N      -3.044304      2.059125      1.884385
88
Coordinates from ORCA-job orca E -6723.637616261976
  N      -2.290735      0.663217      5.036252
  Mo     -4.043050      1.838194      4.889305
  N      -4.655774      1.665087      6.894837
  C      -3.903900      2.059282      8.060913
  C      -2.466409      2.239495      7.551724
  N      -2.406378      2.895582      6.186688
  C      -1.072839      2.609204      5.543786
  C      -0.942126      1.098402      5.281795
  C      -2.659984      4.379778      6.270147
  C      -4.129917      4.672225      6.000863
  N      -4.456393      3.894652      4.808643
  H      -0.277550      0.933165      4.395268
  H      -0.495137      0.547895      6.140776
  H      -1.058617      3.166946      4.585781
  H      -0.252987      2.979025      6.175992
  H      -4.791624      4.360819      6.844877
  H      -4.286298      5.757596      5.813882
  H      -2.337320      4.761204      7.248857
  H      -2.052581      4.874335      5.477552
  H      -3.917338      1.292450      8.865659
  H      -4.310511      2.999101      8.495457
  H      -2.005944      1.241289      7.454603
  H      -1.863447      2.832938      8.256179
  C      -7.679692      0.194716     -0.967313
  C      -6.835759      0.389340      0.284499
  O      -6.092927      1.374160      0.411703
  C      -6.899299     -0.659755      1.346968
  C      -7.873710     -1.671758      1.361484
  C      -7.942026     -2.558275      2.428140
  C      -7.006557     -2.461810      3.457489
  F      -7.111286     -3.321910      4.482637
  C      -5.981147     -1.501077      3.456812
  C      -4.827750     -1.576033      4.397637
  O      -4.468395     -2.652765      4.882304
  N      -4.106717     -0.402502      4.587821
  C      -2.781840     -0.524497      4.854310
  C      -5.970675     -0.595519      2.395237
  C      -6.800430     12.122775      0.131861
  C      -7.065412     10.659718      0.504242
  O      -8.130633     10.087117      0.226034
  C      -6.009463      9.942472      1.242482
  C      -4.790080     10.579928      1.616970
  C      -3.825990      9.864931      2.291068
  C      -4.086039      8.516007      2.601961
  F      -3.098627      7.859644      3.227251
  C      -5.292228      7.839504      2.258697
  C      -5.614728      6.379306      2.547496
  O      -6.478966      5.782598      1.862304
  N      -4.980086      5.863617      3.654246
  C      -4.869652      4.555728      3.719304
  C      -6.232055      8.581584      1.562714
  C     -11.518337      1.219811      0.245598
  C     -10.693573      0.630714      1.347361
  O     -10.785765     -0.545401      1.614780
  C      -9.759628      1.510490      2.079837
  C      -9.561559      2.845806      1.729558
  C      -8.746251      3.663928      2.485616
  C      -8.111790      3.120641      3.581936
  F      -7.443807      3.951796      4.393297
  C      -8.208670      1.773471      3.923961
  C      -7.589435      1.190936      5.137771
  O      -8.271101      0.485462      5.879225
  N      -6.277718      1.532882      5.438861
  C      -5.941673      1.477769      6.749100
  C      -9.076652      0.995826      3.172517
  H      -8.757492      0.177246     -0.716002
  H      -7.489127      1.024597     -1.663144
  H      -7.439647     -0.776513     -1.457922
  H      -8.615915     -1.750470      0.564420
  H      -8.722882     -3.315065      2.482179
  H      -2.247030     -1.476786      4.869237
  H      -5.199821      0.172355      2.350271
  H      -6.611365     12.746967      1.017458
  H      -5.910028     12.221888     -0.516963
  H      -7.665779     12.499230     -0.385652
  H      -4.583584     11.637803      1.379911
  H      -2.864802     10.332261      2.576255
  H      -5.122136      3.931668      2.855207
  H      -7.164288      8.071547      1.256507
  H     -12.150336      0.450783     -0.186330
  H     -10.875481      1.641043     -0.532642
  H     -12.146325      2.027474      0.628185
  H     -10.065100      3.267686      0.874290
  H      -8.591319      4.713087      2.255311
  H      -6.678905      1.340018      7.552148
  H      -9.237353     -0.035041      3.457508
  N      -3.491922      2.014871      2.937146
  N      -3.074703      2.109911      1.876442
88
Coordinates from ORCA-job orca E -6723.630127210196
  N      -2.289392      0.678614      5.050392
  Mo     -4.035602      1.854854      4.897257
  N      -4.664703      1.674738      6.894240
  C      -3.920670      2.063718      8.068568
  C      -2.481095      2.243514      7.571364
  N      -2.409207      2.904631      6.205972
  C      -1.072686      2.614411      5.573126
  C      -0.943867      1.103890      5.310070
  C      -2.661829      4.390512      6.290384
  C      -4.130378      4.682899      6.018517
  N      -4.453223      3.907620      4.824329
  H      -0.269186      0.935243      4.430080
  H      -0.509517      0.548797      6.173079
  H      -1.048179      3.173733      4.616674
  H      -0.258013      2.979363      6.212553
  H      -4.792248      4.367998      6.859676
  H      -4.289739      5.769358      5.832779
  H      -2.342680      4.770979      7.270638
  H      -2.051926      4.886148      5.499717
  H      -3.941391      1.294628      8.872069
  H      -4.329225      3.003762      8.503017
  H      -2.021093      1.244085      7.473651
  H      -1.885501      2.834344      8.284118
  C      -7.670119      0.245724     -0.968362
  C      -6.825225      0.429657      0.277964
  O      -6.088842      1.411406      0.415591
  C      -6.888358     -0.620628      1.328598
  C      -7.868905     -1.627139      1.338616
  C      -7.934945     -2.511373      2.395479
  C      -6.994077     -2.415594      3.422644
  F      -7.095900     -3.269817      4.441562
  C      -5.966902     -1.461206      3.427855
  C      -4.815673     -1.540567      4.371373
  O      -4.448190     -2.616055      4.839465
  N      -4.098738     -0.371344      4.575219
  C      -2.779810     -0.500511      4.856003
  C      -5.954771     -0.559286      2.373494
  C      -6.831684     12.004136      0.179511
  C      -7.081028     10.577796      0.575935
  O      -8.136869     10.030671      0.353014
  C      -6.017491      9.864503      1.260355
  C      -4.783098     10.464196      1.552468
  C      -3.808809      9.753964      2.177748
  C      -4.073590      8.447029      2.523358
  F      -3.075482      7.793406      3.094557
  C      -5.296093      7.808533      2.259966
  C      -5.619185      6.387105      2.579031
  O      -6.479026      5.823446      1.923956
  N      -4.981348      5.873619      3.675702
  C      -4.863330      4.569484      3.735850
  C      -6.248302      8.545873      1.611598
  C     -11.531731      1.240528      0.255027
  C     -10.698636      0.647970      1.347992
  O     -10.787425     -0.523824      1.611651
  C      -9.762792      1.523944      2.073360
  C      -9.568528      2.850829      1.729688
  C      -8.747151      3.664863      2.478848
  C      -8.106040      3.123110      3.569065
  F      -7.428718      3.949914      4.374547
  C      -8.203526      1.784038      3.907185
  C      -7.578810      1.206222      5.114960
  O      -8.248017      0.495172      5.850024
  N      -6.281425      1.557445      5.423606
  C      -5.948074      1.493181      6.740218
  C      -9.073633      1.013522      3.155996
  H      -8.741166      0.227906     -0.723219
  H      -7.479032      1.073231     -1.658660
  H      -7.437891     -0.714075     -1.457048
  H      -8.615938     -1.703026      0.543218
  H      -8.715235     -3.267761      2.442631
  H      -2.242040     -1.450245      4.869063
  H      -5.173636      0.199836      2.328372
  H      -6.604737     12.606059      1.028027
  H      -5.989517     12.096583     -0.483222
  H      -7.696542     12.382097     -0.302015
  H      -4.568133     11.488054      1.285506
  H      -2.833363     10.193008      2.394954
  H      -5.096378      3.948927      2.867878
  H      -7.198673      8.069837      1.366825
  H     -12.166649      0.481732     -0.170518
  H     -10.907489      1.655127     -0.531272
  H     -12.145440      2.047997      0.646375
  H     -10.075675      3.266605      0.883663
  H      -8.588756      4.707576      2.247806
  H      -6.685027      1.347333      7.541253
  H      -9.232399     -0.010483      3.437422
  N      -3.478360      2.036808      2.947810
  N      -3.056602      2.134913      1.891594
88
Coordinates from ORCA-job orca E -6723.630443449789
  N      -2.278936      0.652451      5.059496
  Mo     -4.019306      1.834545      4.889329
  N      -4.663768      1.668255      6.883268
  C      -3.925096      2.066892      8.054909
  C      -2.485603      2.244721      7.565212
  N      -2.404265      2.892268      6.202877
  C      -1.067746      2.599395      5.583953
  C      -0.942649      1.088264      5.319052
  C      -2.656423      4.377440      6.280026
  C      -4.123016      4.664582      6.004299
  N      -4.440713      3.889077      4.801203
  H      -0.278316      0.916329      4.446986
  H      -0.511450      0.546841      6.174813
  H      -1.033405      3.152932      4.632651
  H      -0.262004      2.969421      6.229252
  H      -4.789848      4.346833      6.841810
  H      -4.282803      5.750240      5.824065
  H      -2.339738      4.768401      7.259838
  H      -2.048634      4.867424      5.488375
  H      -3.952640      1.304952      8.855174
  H      -4.328477      3.007680      8.481070
  H      -2.026077      1.246169      7.476774
  H      -1.893124      2.845987      8.272360
  C      -7.641281      0.300531     -0.912041
  C      -6.808138      0.436580      0.300944
  O      -6.070987      1.363754      0.422858
  C      -6.877139     -0.609125      1.341779
  C      -7.863519     -1.589464      1.357044
  C      -7.942404     -2.472917      2.411917
  C      -7.008548     -2.401357      3.433878
  F      -7.121732     -3.252142      4.455470
  C      -5.972945     -1.470429      3.434040
  C      -4.822424     -1.564675      4.375443
  O      -4.461906     -2.646108      4.847475
  N      -4.098801     -0.396039      4.582001
  C      -2.777134     -0.528618      4.862722
  C      -5.946196     -0.571278      2.378957
  C      -6.868107     12.039290      0.175595
  C      -7.094712     10.596289      0.555940
  O      -8.159380     10.033651      0.316792
  C      -6.021204      9.879031      1.243077
  C      -4.796527     10.492660      1.550954
  C      -3.821729      9.779987      2.183761
  C      -4.078621      8.459300      2.523873
  F      -3.088211      7.809999      3.111403
  C      -5.287982      7.807072      2.245191
  C      -5.598303      6.371987      2.553424
  O      -6.442495      5.803394      1.890762
  N      -4.966813      5.854157      3.652513
  C      -4.847656      4.549841      3.708963
  C      -6.237202      8.545446      1.587035
  C     -11.535940      1.242594      0.242137
  C     -10.719133      0.648550      1.353648
  O     -10.820550     -0.524918      1.629529
  C      -9.779382      1.518227      2.078975
  C      -9.578268      2.843723      1.725976
  C      -8.750379      3.648247      2.470435
  C      -8.108915      3.102106      3.561657
  F      -7.419670      3.927421      4.347486
  C      -8.213644      1.766830      3.910175
  C      -7.577962      1.185203      5.113992
  O      -8.234814      0.460666      5.844488
  N      -6.280551      1.534378      5.414596
  C      -5.947846      1.487289      6.729285
  C      -9.090852      1.002768      3.166519
  H      -8.681607      0.286944     -0.652235
  H      -7.445335      1.118822     -1.582831
  H      -7.432802     -0.617741     -1.410792
  H      -8.607871     -1.643828      0.569898
  H      -8.736171     -3.205960      2.469900
  H      -2.237272     -1.482442      4.874486
  H      -5.162770      0.168016      2.336091
  H      -6.659073     12.636533      1.048541
  H      -6.015821     12.152697     -0.495776
  H      -7.745119     12.415026     -0.309788
  H      -4.594477     11.529975      1.294392
  H      -2.856657     10.229672      2.416386
  H      -5.076224      3.927831      2.832417
  H      -7.169775      8.055654      1.326621
  H     -12.169948      0.482501     -0.182735
  H     -10.898134      1.646284     -0.540232
  H     -12.152870      2.064441      0.615101
  H     -10.083320      3.262777      0.871872
  H      -8.581510      4.685555      2.231644
  H      -6.685689      1.350198      7.531573
  H      -9.256276     -0.019342      3.454155
  N      -3.435212      2.007155      2.948645
  N      -3.002357      2.094053      1.904640
88
Coordinates from ORCA-job orca E -6723.636580621544
  N      -2.263058      0.625448      5.078510
  Mo     -4.000363      1.815818      4.894207
  N      -4.656244      1.653717      6.884328
  C      -3.927723      2.042943      8.067202
  C      -2.485214      2.216566      7.585782
  N      -2.394773      2.868807      6.218434
  C      -1.048957      2.570971      5.605949
  C      -0.921904      1.055975      5.345342
  C      -2.646063      4.360125      6.290306
  C      -4.109130      4.651463      6.000434
  N      -4.415987      3.869909      4.790689
  H      -0.251376      0.880674      4.475039
  H      -0.495936      0.512249      6.209774
  H      -1.005405      3.127414      4.648897
  H      -0.246489      2.939315      6.258141
  H      -4.787659      4.337768      6.834381
  H      -4.262002      5.739797      5.816414
  H      -2.337531      4.755819      7.273560
  H      -2.027415      4.845801      5.500426
  H      -3.962131      1.273034      8.866809
  H      -4.333493      2.984774      8.499532
  H      -2.024339      1.214573      7.496501
  H      -1.895915      2.813267      8.299931
  C      -7.607584      0.348236     -0.876712
  C      -6.755328      0.466604      0.324132
  O      -5.980726      1.383676      0.436801
  C      -6.848702     -0.580324      1.365484
  C      -7.856703     -1.538978      1.387734
  C      -7.955499     -2.427203      2.438726
  C      -7.020442     -2.384189      3.448938
  F      -7.154946     -3.240244      4.465449
  C      -5.964110     -1.474071      3.444080
  C      -4.818084     -1.585454      4.386913
  O      -4.462364     -2.671782      4.855287
  N      -4.087050     -0.423297      4.591305
  C      -2.759221     -0.562653      4.876992
  C      -5.917856     -0.568580      2.393333
  C      -6.963211     12.030561      0.165614
  C      -7.167809     10.577977      0.545417
  O      -8.240132     10.008542      0.314399
  C      -6.059850      9.862215      1.217074
  C      -4.844194     10.485698      1.517595
  C      -3.848571      9.777154      2.144958
  C      -4.076811      8.450690      2.487785
  F      -3.074629      7.806575      3.075166
  C      -5.271723      7.787435      2.211779
  C      -5.559291      6.349242      2.520201
  O      -6.377452      5.782374      1.844656
  N      -4.936289      5.832138      3.631495
  C      -4.813859      4.527052      3.687948
  C      -6.241663      8.522068      1.558756
  C     -11.562482      1.306987      0.208800
  C     -10.753216      0.692965      1.325770
  O     -10.879341     -0.487483      1.604415
  C      -9.796715      1.550196      2.062911
  C      -9.579558      2.886075      1.714449
  C      -8.733387      3.676533      2.466406
  C      -8.095981      3.114597      3.561020
  F      -7.398342      3.936946      4.356437
  C      -8.216647      1.768819      3.903429
  C      -7.582182      1.168606      5.109640
  O      -8.242517      0.426357      5.832867
  N      -6.276447      1.521918      5.413265
  C      -5.942081      1.474653      6.727208
  C      -9.107049      1.013056      3.152526
  H      -8.663201      0.338384     -0.606990
  H      -7.399882      1.178581     -1.534007
  H      -7.408835     -0.577337     -1.389055
  H      -8.603451     -1.569060      0.611674
  H      -8.768750     -3.143006      2.502890
  H      -2.203819     -1.525831      4.889304
  H      -5.121502      0.156750      2.349786
  H      -6.735232     12.630442      1.054699
  H      -6.116269     12.151461     -0.539421
  H      -7.870310     12.403064     -0.303514
  H      -4.668894     11.527978      1.261730
  H      -2.893302     10.234377      2.373933
  H      -5.037040      3.903336      2.804505
  H      -7.168728      8.025245      1.304479
  H     -12.208259      0.552396     -0.225049
  H     -10.913615      1.712999     -0.568231
  H     -12.172797      2.135149      0.581425
  H     -10.085395      3.323638      0.856218
  H      -8.549888      4.717023      2.230991
  H      -6.680674      1.335938      7.534035
  H      -9.280748     -0.018230      3.432115
  N      -3.391641      1.991668      2.967041
  N      -2.948947      2.076934      1.929840
88
Coordinates from ORCA-job orca E -6723.642112139504
  N      -2.270577      0.622643      5.080872
  Mo     -3.997833      1.809394      4.874272
  N      -4.649755      1.668366      6.860403
  C      -3.917433      2.072719      8.033308
  C      -2.481512      2.247107      7.568651
  N      -2.391449      2.870396      6.204423
  C      -1.059300      2.565771      5.617170
  C      -0.943828      1.063119      5.361234
  C      -2.630356      4.344566      6.257654
  C      -4.081668      4.635866      5.958388
  N      -4.403899      3.852367      4.763424
  H      -0.284934      0.878784      4.514377
  H      -0.527595      0.544215      6.219438
  H      -1.005804      3.105141      4.668336
  H      -0.264772      2.937797      6.276778
  H      -4.742686      4.342673      6.789444
  H      -4.226049      5.705060      5.762871
  H      -2.313717      4.749592      7.233656
  H      -2.019539      4.805241      5.468537
  H      -3.950656      1.322869      8.833482
  H      -4.317234      3.010617      8.445563
  H      -2.023867      1.256434      7.500132
  H      -1.893616      2.854957      8.274650
  C      -7.619441      0.308742     -0.871811
  C      -6.769958      0.452868      0.347982
  O      -6.002250      1.384743      0.467955
  C      -6.857472     -0.595837      1.389378
  C      -7.867399     -1.555065      1.424982
  C      -7.959359     -2.445215      2.476162
  C      -7.013098     -2.406314      3.468855
  F      -7.143263     -3.268191      4.481376
  C      -5.952194     -1.496048      3.448092
  C      -4.799678     -1.604150      4.376511
  O      -4.440555     -2.687871      4.846552
  N      -4.080513     -0.438626      4.581952
  C      -2.760751     -0.568851      4.882416
  C      -5.916894     -0.586025      2.402168
  C      -6.975484     12.049652      0.164823
  C      -7.154915     10.595354      0.514614
  O      -8.210014     10.012038      0.238834
  C      -6.049489      9.884379      1.220092
  C      -4.849327     10.522622      1.576163
  C      -3.857641      9.815809      2.232170
  C      -4.071417      8.475605      2.546163
  F      -3.069337      7.832997      3.158654
  C      -5.253743      7.797281      2.216747
  C      -5.548276      6.347136      2.506050
  O      -6.392323      5.768748      1.828951
  N      -4.916571      5.818342      3.606522
  C      -4.810058      4.509564      3.666945
  C      -6.221582      8.532853      1.538622
  C     -11.572031      1.329200      0.193458
  C     -10.756813      0.698585      1.303675
  O     -10.879648     -0.493724      1.572003
  C      -9.800405      1.553884      2.052339
  C      -9.577699      2.889661      1.702692
  C      -8.733335      3.675735      2.463310
  C      -8.103454      3.113377      3.563491
  F      -7.405824      3.927913      4.364885
  C      -8.227963      1.769242      3.905326
  C      -7.592721      1.161519      5.116391
  O      -8.254738      0.418627      5.842832
  N      -6.282198      1.520008      5.406189
  C      -5.933337      1.477756      6.712937
  C      -9.118376      1.015110      3.149266
  H      -8.682878      0.289136     -0.608312
  H      -7.421809      1.137724     -1.533793
  H      -7.401082     -0.624800     -1.384413
  H      -8.621154     -1.584005      0.660884
  H      -8.774492     -3.162555      2.552533
  H      -2.211711     -1.531260      4.908343
  H      -5.120580      0.140691      2.346796
  H      -6.785771     12.634876      1.070320
  H      -6.121476     12.193104     -0.509672
  H      -7.874391     12.413667     -0.330502
  H      -4.682651     11.573674      1.341289
  H      -2.913804     10.283464      2.503830
  H      -5.047448      3.881687      2.792219
  H      -7.143205      8.024828      1.248716
  H     -12.223356      0.575410     -0.244835
  H     -10.926694      1.744241     -0.586588
  H     -12.176286      2.158145      0.578729
  H     -10.080573      3.332127      0.836125
  H      -8.541109      4.713309      2.226324
  H      -6.660234      1.335631      7.524831
  H      -9.294514     -0.016879      3.425664
  N      -3.380663      1.969859      2.958463
  N      -2.934828      2.048613      1.928698
88
Coordinates from ORCA-job orca E -6723.642024731085
  N      -2.247110      0.607073      5.103107
  Mo     -3.982952      1.800124      4.877772
  N      -4.641337      1.663972      6.858681
  C      -3.917992      2.070643      8.035960
  C      -2.473211      2.240735      7.580528
  N      -2.372815      2.869622      6.218116
  C      -1.025528      2.569675      5.643276
  C      -0.908331      1.052790      5.393740
  C      -2.617821      4.352484      6.267969
  C      -4.079205      4.637753      5.951457
  N      -4.388812      3.849986      4.751545
  H      -0.237211      0.869085      4.552933
  H      -0.495448      0.528656      6.259177
  H      -0.966941      3.113184      4.694528
  H      -0.228809      2.949561      6.307313
  H      -4.751952      4.339139      6.771683
  H      -4.231881      5.712138      5.754787
  H      -2.310669      4.761510      7.249488
  H      -1.996937      4.821513      5.489409
  H      -3.963190      1.320873      8.838618
  H      -4.320280      3.013047      8.440618
  H      -2.015218      1.245648      7.515409
  H      -1.886069      2.848813      8.288065
  C      -7.622630      0.362226     -0.898211
  C      -6.732148      0.450537      0.298376
  O      -5.920408      1.346005      0.396090
  C      -6.845981     -0.594413      1.359053
  C      -7.891799     -1.537375      1.402819
  C      -8.007277     -2.427791      2.472432
  C      -7.045059     -2.407037      3.475613
  F      -7.193686     -3.266760      4.509756
  C      -5.951968     -1.511067      3.448880
  C      -4.796231     -1.631103      4.395518
  O      -4.438688     -2.725528      4.870960
  N      -4.066480     -0.459787      4.598346
  C      -2.746186     -0.591528      4.914112
  C      -5.894610     -0.598395      2.386585
  C      -6.996183     12.075430      0.146156
  C      -7.168035     10.613740      0.486440
  O      -8.207885     10.033712      0.182409
  C      -6.069392      9.897101      1.212868
  C      -4.869003     10.533531      1.592630
  C      -3.870137      9.819042      2.261292
  C      -4.079055      8.473496      2.563529
  F      -3.061269      7.826812      3.192722
  C      -5.264134      7.797310      2.212162
  C      -5.545550      6.337370      2.488023
  O      -6.377037      5.745135      1.792361
  N      -4.915165      5.812202      3.590709
  C      -4.794515      4.503911      3.650956
  C      -6.234961      8.539930      1.521955
  C     -11.610360      1.315962      0.226681
  C     -10.780682      0.678964      1.326680
  O     -10.907583     -0.519692      1.606990
  C      -9.815542      1.537753      2.061368
  C      -9.593524      2.870910      1.697305
  C      -8.736689      3.656588      2.438565
  C      -8.093852      3.099649      3.532684
  F      -7.375783      3.915780      4.310840
  C      -8.222544      1.761208      3.892238
  C      -7.584915      1.164690      5.101777
  O      -8.247611      0.427620      5.836831
  N      -6.269543      1.519035      5.392333
  C      -5.927060      1.483747      6.699968
  C      -9.123471      1.003611      3.155851
  H      -8.664684      0.412410     -0.600986
  H      -7.389224      1.172478     -1.585677
  H      -7.492199     -0.571465     -1.400984
  H      -8.653552     -1.555819      0.624851
  H      -8.852829     -3.126468      2.556452
  H      -2.185185     -1.556599      4.953374
  H      -5.075057      0.117044      2.332714
  H      -6.843943     12.655698      1.044516
  H      -6.130325     12.226734     -0.485625
  H      -7.877097     12.442995     -0.378549
  H      -4.705392     11.588074      1.365507
  H      -2.923414     10.285615      2.553228
  H      -5.005441      3.879412      2.769775
  H      -7.150819      8.034102      1.212412
  H     -12.272893      0.556280     -0.196412
  H     -10.972431      1.730134     -0.576285
  H     -12.206008      2.155355      0.626986
  H     -10.104180      3.307590      0.834958
  H      -8.544778      4.691358      2.193907
  H      -6.661079      1.338726      7.507434
  H      -9.306277     -0.024085      3.445431
  N      -3.353598      1.955366      2.968552
  N      -2.895572      2.024329      1.945024
88
Coordinates from ORCA-job orca E -6723.643163171992
  N      -2.257064      0.636262      5.085449
  Mo     -4.003647      1.811367      4.892147
  N      -4.625061      1.656610      6.882150
  C      -3.886950      2.062323      8.051970
  C      -2.450457      2.247655      7.575962
  N      -2.373335      2.883877      6.214519
  C      -1.029108      2.596617      5.614930
  C      -0.903570      1.082963      5.357831
  C      -2.623511      4.359721      6.270119
  C      -4.090211      4.638845      5.972397
  N      -4.414648      3.851673      4.779160
  H      -0.229667      0.917978      4.494711
  H      -0.466978      0.538615      6.220873
  H      -0.990966      3.150733      4.665401
  H      -0.214902      2.972418      6.265213
  H      -4.748351      4.339558      6.798564
  H      -4.243768      5.711007      5.781937
  H      -2.300064      4.764446      7.242549
  H      -2.017154      4.829185      5.487392
  H      -3.908872      1.308045      8.854816
  H      -4.295888      2.997984      8.468182
  H      -1.985975      1.258900      7.500094
  H      -1.859022      2.851847      8.282088
  C      -7.640063      0.364868     -0.940913
  C      -6.745832      0.448790      0.264386
  O      -5.937870      1.336292      0.363857
  C      -6.857877     -0.591144      1.332637
  C      -7.894518     -1.540726      1.365626
  C      -8.004108     -2.429172      2.441353
  C      -7.046159     -2.396822      3.461178
  F      -7.191478     -3.254896      4.498830
  C      -5.961483     -1.490748      3.444509
  C      -4.813145     -1.595494      4.401060
  O      -4.472356     -2.677078      4.889061
  N      -4.077189     -0.428776      4.604086
  C      -2.760528     -0.553440      4.906351
  C      -5.909042     -0.584692      2.375135
  C      -6.932971     12.044121      0.103092
  C      -7.135271     10.595869      0.456854
  O      -8.169721     10.018882      0.134921
  C      -6.052191      9.884518      1.212338
  C      -4.862987     10.519520      1.619026
  C      -3.876495      9.810282      2.310186
  C      -4.087540      8.469615      2.607299
  F      -3.076145      7.827879      3.253178
  C      -5.266116      7.794946      2.232889
  C      -5.564569      6.342290      2.507784
  O      -6.408098      5.742301      1.801739
  N      -4.934522      5.821822      3.620491
  C      -4.831265      4.509871      3.684146
  C      -6.220994      8.533253      1.519413
  C     -11.601766      1.278713      0.211594
  C     -10.770947      0.652615      1.321003
  O     -10.886444     -0.549652      1.592075
  C      -9.817035      1.524728      2.074632
  C      -9.601152      2.870575      1.720852
  C      -8.752089      3.668232      2.477972
  C      -8.107827      3.104633      3.579332
  F      -7.400155      3.930036      4.375152
  C      -8.226829      1.754541      3.925324
  C      -7.577808      1.155621      5.133510
  O      -8.237271      0.419157      5.872662
  N      -6.261472      1.506147      5.427423
  C      -5.909793      1.462897      6.732509
  C      -9.125417      0.989296      3.175645
  H      -8.669400      0.436498     -0.636770
  H      -7.406270      1.168018     -1.638473
  H      -7.528300     -0.580664     -1.444848
  H      -8.653567     -1.569088      0.574440
  H      -8.837571     -3.134731      2.514992
  H      -2.213964     -1.503615      4.947588
  H      -5.098341      0.139165      2.329607
  H      -6.770337     12.652379      1.006801
  H      -6.042018     12.158367     -0.529713
  H      -7.820718     12.410002     -0.435899
  H      -4.697608     11.569594      1.393567
  H      -2.937515     10.276464      2.621924
  H      -5.065791      3.886124      2.805808
  H      -7.127481      8.024935      1.191601
  H     -12.257837      0.509279     -0.221272
  H     -10.955411      1.701472     -0.578054
  H     -12.212890      2.111701      0.601919
  H     -10.109086      3.305023      0.856294
  H      -8.567467      4.712299      2.238212
  H      -6.637653      1.309002      7.537050
  H      -9.299390     -0.048655      3.457193
  N      -3.411825      1.970420      2.975155
  N      -2.974182      2.047529      1.943659
88
Coordinates from ORCA-job orca E -6723.641714238213
  N      -2.278874      0.656084      5.093033
  Mo     -4.025302      1.819262      4.901803
  N      -4.628040      1.663543      6.895915
  C      -3.880022      2.076451      8.050154
  C      -2.443913      2.267766      7.568972
  N      -2.385076      2.895467      6.211353
  C      -1.055132      2.610415      5.616326
  C      -0.933613      1.107310      5.374051
  C      -2.629323      4.359081      6.262171
  C      -4.091390      4.642751      5.966886
  N      -4.432269      3.864366      4.793943
  H      -0.263214      0.938709      4.523589
  H      -0.500930      0.576766      6.240233
  H      -1.024984      3.148760      4.664491
  H      -0.238799      2.992221      6.262659
  H      -4.727457      4.351434      6.793358
  H      -4.247671      5.702862      5.765754
  H      -2.294626      4.754765      7.230347
  H      -2.032964      4.823939      5.478650
  H      -3.893064      1.329394      8.853248
  H      -4.289594      3.003417      8.458026
  H      -1.983549      1.288123      7.493815
  H      -1.840168      2.869400      8.264930
  C      -7.648939      0.360549     -0.968643
  C      -6.758474      0.435682      0.236785
  O      -5.948211      1.341257      0.346345
  C      -6.868310     -0.607295      1.306311
  C      -7.889213     -1.569234      1.316543
  C      -7.990421     -2.461925      2.392040
  C      -7.035767     -2.422475      3.431052
  F      -7.170411     -3.286692      4.464718
  C      -5.964009     -1.504796      3.433925
  C      -4.814612     -1.602231      4.404080
  O      -4.464279     -2.686950      4.885417
  N      -4.087792     -0.426448      4.610438
  C      -2.781679     -0.541932      4.920565
  C      -5.922114     -0.593522      2.366345
  C      -6.865630     12.101900      0.102241
  C      -7.122603     10.641104      0.485764
  O      -8.181270     10.084327      0.199632
  C      -6.041468      9.905348      1.220897
  C      -4.838308     10.524461      1.592625
  C      -3.855399      9.799703      2.269459
  C      -4.082797      8.457351      2.585384
  F      -3.067573      7.796921      3.211289
  C      -5.274308      7.795889      2.242150
  C      -5.592288      6.353416      2.541921
  O      -6.444013      5.779581      1.869710
  N      -4.946158      5.842557      3.637354
  C      -4.848745      4.534158      3.706088
  C      -6.229045      8.550557      1.544275
  C     -11.593874      1.227200      0.245291
  C     -10.756055      0.608694      1.343557
  O     -10.869920     -0.585396      1.620292
  C      -9.804102      1.488155      2.084851
  C      -9.595740      2.835473      1.733831
  C      -8.754578      3.648119      2.486510
  C      -8.109232      3.087848      3.591108
  F      -7.414789      3.920455      4.400450
  C      -8.215974      1.732654      3.930293
  C      -7.571123      1.146838      5.141629
  O      -8.231059      0.412720      5.882893
  N      -6.260344      1.504718      5.449886
  C      -5.915016      1.467410      6.751019
  C      -9.106703      0.959642      3.178343
  H      -8.681334      0.430099     -0.659208
  H      -7.407086      1.174651     -1.669208
  H      -7.544717     -0.588771     -1.474509
  H      -8.644666     -1.603864      0.510312
  H      -8.804673     -3.178666      2.444187
  H      -2.242917     -1.488952      4.969690
  H      -5.117010      0.141032      2.331641
  H      -6.652993     12.743304      0.991107
  H      -5.974677     12.165753     -0.562116
  H      -7.758796     12.493437     -0.411971
  H      -4.656335     11.575935      1.349647
  H      -2.903088     10.254281      2.552136
  H      -5.103356      3.920641      2.847576
  H      -7.152442      8.060398      1.245752
  H     -12.245154      0.454182     -0.180494
  H     -10.950125      1.654713     -0.548682
  H     -12.215602      2.057258      0.643374
  H     -10.104330      3.258243      0.879688
  H      -8.578941      4.698181      2.246593
  H      -6.647782      1.319749      7.547729
  H      -9.270291     -0.081827      3.457890
  N      -3.467158      1.984341      2.968812
  N      -3.044538      2.067619      1.921118
88
Coordinates from ORCA-job orca E -6723.642437755316
  N      -2.275758      0.644912      5.084964
  Mo     -4.020341      1.816823      4.902324
  N      -4.637444      1.659763      6.894477
  C      -3.889349      2.065830      8.052337
  C      -2.448865      2.249994      7.566582
  N      -2.382333      2.884029      6.211983
  C      -1.055904      2.591219      5.613618
  C      -0.938559      1.088972      5.364092
  C      -2.620503      4.354844      6.273706
  C      -4.082789      4.648315      5.979724
  N      -4.419575      3.870670      4.801748
  H      -0.268807      0.917518      4.510226
  H      -0.511923      0.555838      6.224338
  H      -1.021496      3.125011      4.665062
  H      -0.245776      2.969339      6.260769
  H      -4.731696      4.352060      6.810984
  H      -4.232176      5.718724      5.782661
  H      -2.291908      4.742395      7.248351
  H      -2.016028      4.828059      5.490399
  H      -3.907412      1.310657      8.852727
  H      -4.295784      2.998974      8.468986
  H      -1.993410      1.262145      7.483179
  H      -1.843144      2.846626      8.267328
  C      -7.662191      0.315998     -0.944407
  C      -6.790425      0.420427      0.272697
  O      -6.006215      1.350009      0.389831
  C      -6.880997     -0.632906      1.332146
  C      -7.872642     -1.615214      1.333008
  C      -7.956623     -2.510721      2.400602
  C      -7.016137     -2.451237      3.441680
  F      -7.135190     -3.317936      4.467125
  C      -5.971620     -1.515407      3.452741
  C      -4.824047     -1.603736      4.415905
  O      -4.477136     -2.686564      4.902147
  N      -4.092840     -0.427203      4.612928
  C      -2.783693     -0.545531      4.908410
  C      -5.945036     -0.603404      2.391364
  C      -6.905584     12.093222      0.093128
  C      -7.142485     10.634429      0.474446
  O      -8.191876     10.070587      0.191003
  C      -6.057823      9.907156      1.215377
  C      -4.850462     10.534498      1.584137
  C      -3.856502      9.815522      2.261098
  C      -4.078630      8.471598      2.581722
  F      -3.056182      7.814398      3.208413
  C      -5.273070      7.802600      2.242931
  C      -5.575716      6.354379      2.540955
  O      -6.414994      5.770640      1.863098
  N      -4.931899      5.845986      3.641689
  C      -4.833863      4.538620      3.713536
  C      -6.237501      8.550635      1.543253
  C     -11.577193      1.277273      0.231594
  C     -10.732803      0.646694      1.315930
  O     -10.831082     -0.558887      1.567544
  C      -9.787031      1.529264      2.066389
  C      -9.580617      2.895040      1.735585
  C      -8.746145      3.711234      2.501211
  C      -8.102437      3.132315      3.597475
  F      -7.411818      3.960577      4.419643
  C      -8.205680      1.759796      3.914364
  C      -7.558187      1.142990      5.118539
  O      -8.205087      0.380915      5.838164
  N      -6.258929      1.515117      5.435624
  C      -5.922915      1.467518      6.742737
  C      -9.093181      0.987671      3.149960
  H      -8.714174      0.348041     -0.655319
  H      -7.449268      1.149923     -1.634204
  H      -7.497367     -0.643125     -1.450489
  H      -8.618222     -1.663736      0.526997
  H      -8.745625     -3.240859      2.447999
  H      -2.269874     -1.493946      4.949938
  H      -5.161427      0.150095      2.359464
  H      -6.716904     12.720692      0.978176
  H      -6.023133     12.177061     -0.560231
  H      -7.785245     12.477802     -0.425294
  H      -4.674011     11.588238      1.338420
  H      -2.898211     10.275254      2.540312
  H      -5.095153      3.916551      2.857803
  H      -7.154018      8.050665      1.242506
  H     -12.220317      0.501284     -0.204803
  H     -10.943326      1.724115     -0.562831
  H     -12.203987      2.103956      0.651548
  H     -10.086892      3.331534      0.888706
  H      -8.576726      4.779733      2.279269
  H      -6.661818      1.326257      7.539600
  H      -9.254731     -0.066738      3.415880
  N      -3.463523      1.987536      2.957339
  N      -3.040915      2.078405      1.902357
88
Coordinates from ORCA-job orca E -6723.643472536370
  N      -2.254202      0.646123      5.081192
  Mo     -4.007371      1.817588      4.894974
  N      -4.638289      1.662727      6.872407
  C      -3.906019      2.073369      8.042604
  C      -2.463768      2.270482      7.569649
  N      -2.384623      2.900566      6.216909
  C      -1.053475      2.606416      5.631783
  C      -0.926101      1.097486      5.368305
  C      -2.629046      4.376712      6.277581
  C      -4.093924      4.659758      5.971000
  N      -4.416306      3.862709      4.781806
  H      -0.254095      0.925752      4.518424
  H      -0.504793      0.566344      6.220579
  H      -1.006491      3.137427      4.694534
  H      -0.259112      2.990133      6.290210
  H      -4.754722      4.364832      6.801701
  H      -4.242998      5.734537      5.776959
  H      -2.310834      4.781185      7.255747
  H      -2.017091      4.842964      5.499094
  H      -3.926881      1.311929      8.839866
  H      -4.323572      3.010763      8.464804
  H      -1.999950      1.280288      7.489735
  H      -1.871943      2.877514      8.277741
  C      -7.667712      0.274955     -0.927876
  C      -6.800658      0.409425      0.317970
  O      -6.030807      1.353967      0.450683
  C      -6.887416     -0.648734      1.371217
  C      -7.871105     -1.644252      1.367457
  C      -7.947044     -2.551812      2.428051
  C      -7.006425     -2.491640      3.464566
  F      -7.111033     -3.375300      4.474609
  C      -5.970928     -1.540728      3.480050
  C      -4.813944     -1.621841      4.435155
  O      -4.465120     -2.693204      4.929302
  N      -4.074710     -0.446433      4.617810
  C      -2.755645     -0.553685      4.910237
  C      -5.955785     -0.616500      2.428520
  C      -6.930488     12.095187      0.163723
  C      -7.173440     10.636457      0.541860
  O      -8.238196     10.084542      0.299651
  C      -6.069771      9.892822      1.233806
  C      -4.847979     10.501111      1.561103
  C      -3.845801      9.767364      2.196614
  C      -4.070818      8.427335      2.516684
  F      -3.047250      7.753974      3.099354
  C      -5.274536      7.777792      2.216121
  C      -5.576667      6.330393      2.511006
  O      -6.418793      5.745172      1.825528
  N      -4.931618      5.822772      3.615996
  C      -4.831600      4.514005      3.687631
  C      -6.250372      8.539752      1.557526
  C     -11.561091      1.352458      0.210711
  C     -10.717607      0.715153      1.285315
  O     -10.808882     -0.485031      1.525272
  C      -9.778323      1.582682      2.042101
  C      -9.573980      2.946681      1.724712
  C      -8.743824      3.745324      2.496564
  C      -8.100794      3.151872      3.583308
  F      -7.412705      3.958545      4.406400
  C      -8.203006      1.780823      3.887413
  C      -7.554069      1.137306      5.079543
  O      -8.191914      0.356156      5.784025
  N      -6.256152      1.517047      5.397767
  C      -5.922998      1.457882      6.710327
  C      -9.087620      1.024387      3.120371
  H      -8.746012      0.270022     -0.668533
  H      -7.472981      1.118940     -1.604176
  H      -7.450230     -0.684117     -1.441447
  H      -8.612976     -1.695794      0.562485
  H      -8.726194     -3.293347      2.469302
  H      -2.242055     -1.502325      4.967005
  H      -5.180211      0.146412      2.403309
  H      -6.675271     12.725717      1.043772
  H      -6.077391     12.158732     -0.534110
  H      -7.839838     12.497648     -0.306368
  H      -4.671093     11.551434      1.315522
  H      -2.882687     10.211498      2.444075
  H      -5.080582      3.881761      2.819898
  H      -7.175769      8.051205      1.286429
  H     -12.209297      0.590655     -0.224128
  H     -10.927634      1.787545     -0.576594
  H     -12.177212      2.178907      0.625408
  H     -10.080328      3.397606      0.882428
  H      -8.576357      4.811353      2.284432
  H      -6.666378      1.301280      7.509705
  H      -9.248385     -0.026928      3.374400
  N      -3.447688      1.980246      2.957547
  N      -3.029528      2.069582      1.903284
88
Coordinates from ORCA-job orca E -6723.645390794389
  N      -2.268493      0.645194      5.074927
  Mo     -4.007357      1.824882      4.892246
  N      -4.643136      1.673985      6.873206
  C      -3.912069      2.086980      8.045524
  C      -2.471929      2.260332      7.574344
  N      -2.385399      2.890843      6.212452
  C      -1.050760      2.588173      5.616456
  C      -0.932697      1.079775      5.367247
  C      -2.622154      4.368885      6.269603
  C      -4.083005      4.663788      5.969112
  N      -4.410374      3.870161      4.784994
  H      -0.253311      0.897139      4.520109
  H      -0.521139      0.546468      6.234882
  H      -1.005469      3.125461      4.665481
  H      -0.246691      2.962693      6.267150
  H      -4.748111      4.376953      6.803421
  H      -4.223304      5.738948      5.767936
  H      -2.303908      4.768121      7.246044
  H      -2.004375      4.835185      5.487894
  H      -3.943511      1.337735      8.856493
  H      -4.320621      3.031303      8.454259
  H      -2.017849      1.265385      7.499313
  H      -1.878953      2.859926      8.283552
  C      -7.665112      0.260636     -0.916244
  C      -6.777009      0.404326      0.305435
  O      -5.992939      1.351701      0.415021
  C      -6.866275     -0.641481      1.367925
  C      -7.859777     -1.639111      1.385068
  C      -7.943504     -2.535854      2.442724
  C      -7.006092     -2.461853      3.460369
  F      -7.121142     -3.332627      4.470258
  C      -5.963367     -1.511534      3.458964
  C      -4.807137     -1.595003      4.398655
  O      -4.442137     -2.669764      4.869615
  N      -4.082512     -0.427288      4.596257
  C      -2.762185     -0.546256      4.894808
  C      -5.937581     -0.597210      2.408398
  C      -6.931799     12.060573      0.178212
  C      -7.167658     10.611374      0.551873
  O      -8.253612     10.062168      0.315511
  C      -6.065641      9.873810      1.239984
  C      -4.841135     10.481372      1.565091
  C      -3.853253      9.755552      2.204896
  C      -4.087371      8.421868      2.525599
  F      -3.079510      7.750875      3.113891
  C      -5.288297      7.772591      2.223115
  C      -5.588387      6.328346      2.520887
  O      -6.437325      5.735123      1.835462
  N      -4.944746      5.827299      3.626663
  C      -4.833498      4.518203      3.697445
  C      -6.259989      8.527160      1.566542
  C     -11.555627      1.351676      0.196316
  C     -10.717033      0.717668      1.278862
  O     -10.816469     -0.480925      1.522367
  C      -9.770701      1.582033      2.037213
  C      -9.565769      2.939128      1.715591
  C      -8.737476      3.739136      2.493944
  C      -8.100495      3.165219      3.581503
  F      -7.419898      3.982689      4.416525
  C      -8.202954      1.796086      3.892286
  C      -7.574026      1.176663      5.094089
  O      -8.241691      0.432670      5.813834
  N      -6.263646      1.535872      5.401915
  C      -5.927526      1.481594      6.712513
  C      -9.080755      1.029931      3.123325
  H      -8.739099      0.282431     -0.626761
  H      -7.455652      1.086026     -1.617854
  H      -7.482748     -0.707137     -1.414001
  H      -8.600774     -1.700637      0.594398
  H      -8.737120     -3.282904      2.497793
  H      -2.228271     -1.499426      4.944362
  H      -5.153483      0.161389      2.365803
  H      -6.680673     12.664658      1.055886
  H      -6.082825     12.141202     -0.510538
  H      -7.841289     12.463228     -0.295691
  H      -4.656398     11.525157      1.317524
  H      -2.894828     10.200455      2.453702
  H      -5.078875      3.886004      2.835204
  H      -7.202022      8.042944      1.302145
  H     -12.206659      0.590120     -0.248042
  H     -10.919775      1.791765     -0.589005
  H     -12.164853      2.164051      0.610573
  H     -10.076812      3.393382      0.862322
  H      -8.574457      4.798675      2.286692
  H      -6.667011      1.334466      7.513396
  H      -9.244660     -0.017004      3.381454
  N      -3.435818      1.987489      2.961095
  N      -3.008554      2.070734      1.909626
88
Coordinates from ORCA-job orca E -6723.642737795329
  N      -2.301160      0.654191      5.073671
  Mo     -4.034183      1.831794      4.892213
  N      -4.640273      1.698253      6.891170
  C      -3.889684      2.100588      8.057346
  C      -2.457674      2.273134      7.564245
  N      -2.393625      2.901171      6.190389
  C      -1.061866      2.596277      5.573549
  C      -0.944650      1.089614      5.336601
  C      -2.631125      4.374872      6.237401
  C      -4.086520      4.667245      5.945327
  N      -4.419501      3.867896      4.766715
  H      -0.278512      0.906236      4.469220
  H      -0.506293      0.554905      6.213070
  H      -1.034068      3.138989      4.607117
  H      -0.239103      2.967842      6.212386
  H      -4.737152      4.383707      6.783878
  H      -4.230328      5.734104      5.739163
  H      -2.301315      4.780408      7.205466
  H      -2.025122      4.828077      5.443639
  H      -3.902734      1.348313      8.868301
  H      -4.293579      3.039792      8.477956
  H      -1.999788      1.279508      7.484531
  H      -1.854830      2.870984      8.267216
  C      -7.654660      0.192833     -0.908407
  C      -6.817494      0.380019      0.327630
  O      -6.056597      1.347609      0.456934
  C      -6.896010     -0.660314      1.387949
  C      -7.877117     -1.652319      1.407695
  C      -7.962130     -2.540826      2.471213
  C      -7.030518     -2.466790      3.487775
  F      -7.158569     -3.325836      4.511597
  C      -5.989323     -1.526573      3.477405
  C      -4.836353     -1.605235      4.419339
  O      -4.470079     -2.678055      4.901439
  N      -4.116316     -0.433065      4.607003
  C      -2.791334     -0.546453      4.900891
  C      -5.970474     -0.617738      2.424575
  C      -6.949834     12.133424      0.257344
  C      -7.143496     10.669511      0.582721
  O      -8.176585     10.112260      0.306861
  C      -6.031828      9.928912      1.261069
  C      -4.809196     10.547433      1.606738
  C      -3.812906      9.814889      2.236394
  C      -4.044575      8.465511      2.531942
  F      -3.037228      7.794610      3.118477
  C      -5.248697      7.804616      2.209051
  C      -5.566850      6.350166      2.486269
  O      -6.419809      5.788072      1.793568
  N      -4.930063      5.822634      3.592007
  C      -4.833367      4.512766      3.667694
  C      -6.223246      8.566738      1.559612
  C     -11.536364      1.289243      0.148028
  C     -10.722605      0.673923      1.276108
  O     -10.848195     -0.507414      1.557091
  C      -9.771196      1.544387      2.028334
  C      -9.543448      2.876807      1.664172
  C      -8.706734      3.677413      2.425725
  C      -8.091911      3.131936      3.549241
  F      -7.411803      3.946483      4.372103
  C      -8.217507      1.789041      3.903937
  C      -7.592819      1.186411      5.132403
  O      -8.267583      0.451609      5.865844
  N      -6.276214      1.551365      5.435943
  C      -5.927826      1.500165      6.747059
  C      -9.102144      1.025460      3.141412
  H      -8.729343      0.187180     -0.659000
  H      -7.452536      1.015876     -1.582611
  H      -7.416601     -0.784356     -1.405426
  H      -8.619005     -1.709989      0.624424
  H      -8.763712     -3.286525      2.534853
  H      -2.236764     -1.502074      4.945752
  H      -5.199303      0.136136      2.383218
  H      -6.716101     12.711602      1.164486
  H      -6.113784     12.261138     -0.435835
  H      -7.857793     12.526816     -0.207475
  H      -4.626020     11.604729      1.380679
  H      -2.850781     10.266593      2.498221
  H      -5.089243      3.878440      2.806568
  H      -7.175623      8.074810      1.284199
  H     -12.197901      0.532040     -0.291310
  H     -10.884947      1.692701     -0.630132
  H     -12.127813      2.114385      0.512088
  H     -10.039197      3.311736      0.781822
  H      -8.518463      4.715078      2.178319
  H      -6.658097      1.350550      7.558768
  H      -9.274574     -0.008435      3.427609
  N      -3.476645      1.973705      2.956657
  N      -3.062001      2.044147      1.902802
88
Coordinates from ORCA-job orca E -6723.644348607412
  N      -2.307265      0.653699      5.059712
  Mo     -4.037941      1.834219      4.886458
  N      -4.642172      1.691029      6.896088
  C      -3.886274      2.082307      8.060744
  C      -2.460076      2.251828      7.562946
  N      -2.399032      2.889894      6.190885
  C      -1.071641      2.589929      5.562653
  C      -0.955703      1.087014      5.308521
  C      -2.637545      4.364284      6.252536
  C      -4.090468      4.661473      5.967851
  N      -4.421037      3.879494      4.777449
  H      -0.302901      0.910300      4.432776
  H      -0.509888      0.548867      6.172409
  H      -1.049062      3.144026      4.600462
  H      -0.248661      2.954928      6.200297
  H      -4.741603      4.367211      6.805679
  H      -4.236019      5.731462      5.773215
  H      -2.308841      4.757277      7.225101
  H      -2.033424      4.828374      5.457734
  H      -3.900468      1.328276      8.863867
  H      -4.278800      3.018198      8.487086
  H      -2.006661      1.258159      7.476238
  H      -1.854177      2.845175      8.265563
  C      -7.681238      0.186187     -0.945676
  C      -6.833936      0.387960      0.289638
  O      -6.074028      1.354892      0.398293
  C      -6.905283     -0.651682      1.361958
  C      -7.897267     -1.634469      1.403374
  C      -7.978817     -2.512455      2.480659
  C      -7.035536     -2.437596      3.492070
  F      -7.160384     -3.287471      4.533004
  C      -5.987926     -1.505974      3.463175
  C      -4.837189     -1.587371      4.402876
  O      -4.473344     -2.667593      4.893559
  N      -4.121029     -0.412025      4.591365
  C      -2.798757     -0.538183      4.875746
  C      -5.967451     -0.608479      2.392924
  C      -6.926806     12.117656      0.202464
  C      -7.112392     10.660036      0.542108
  O      -8.139294     10.082480      0.241814
  C      -6.018358      9.945285      1.260822
  C      -4.827231     10.582416      1.645803
  C      -3.833431      9.866696      2.303964
  C      -4.044597      8.519452      2.594682
  F      -3.030896      7.868970      3.207038
  C      -5.228933      7.842551      2.240946
  C      -5.539125      6.388284      2.511620
  O      -6.389636      5.814387      1.819529
  N      -4.914043      5.851947      3.617221
  C      -4.820543      4.541774      3.678494
  C      -6.190438      8.587009      1.558150
  C     -11.533767      1.231491      0.173106
  C     -10.729515      0.636362      1.315668
  O     -10.861811     -0.542206      1.619949
  C      -9.774069      1.515559      2.047915
  C      -9.532755      2.838570      1.655083
  C      -8.689475      3.646801      2.399365
  C      -8.079942      3.112897      3.535409
  F      -7.395030      3.949504      4.331542
  C      -8.219744      1.778462      3.919148
  C      -7.595659      1.199622      5.155983
  O      -8.274550      0.484456      5.909443
  N      -6.280243      1.549249      5.451302
  C      -5.928827      1.500679      6.760987
  C      -9.112093      1.010586      3.174587
  H      -8.750676      0.175715     -0.691662
  H      -7.488251      1.008273     -1.629394
  H      -7.448132     -0.795210     -1.436490
  H      -8.648361     -1.691303      0.624620
  H      -8.786242     -3.248746      2.562931
  H      -2.242921     -1.495415      4.896453
  H      -5.185315      0.137634      2.332029
  H      -6.745622     12.699352      1.120030
  H      -6.064242     12.267094     -0.471631
  H      -7.816793     12.480472     -0.300494
  H      -4.659811     11.639137      1.427118
  H      -2.888521     10.332125      2.594213
  H      -5.068814      3.916940      2.804366
  H      -7.110508      8.079470      1.249284
  H     -12.189378      0.467104     -0.249207
  H     -10.876813      1.617705     -0.610683
  H     -12.134832      2.072092      0.520242
  H     -10.019468      3.252957      0.768325
  H      -8.485733      4.676696      2.127036
  H      -6.655086      1.356026      7.575356
  H      -9.297516     -0.014166      3.484930
  N      -3.464321      1.982395      2.954609
  N      -3.037929      2.049329      1.914069
88
Coordinates from ORCA-job orca E -6723.645615478536
  N      -2.275797      0.639331      5.074277
  Mo     -4.021680      1.819401      4.886047
  N      -4.644283      1.661563      6.881502
  C      -3.901346      2.056703      8.051756
  C      -2.463138      2.240594      7.571273
  N      -2.393984      2.883272      6.208123
  C      -1.053873      2.592761      5.601609
  C      -0.927800      1.083711      5.348079
  C      -2.643861      4.360001      6.269555
  C      -4.105106      4.647203      5.971898
  N      -4.429975      3.864185      4.781777
  H      -0.257506      0.913614      4.487431
  H      -0.493792      0.545401      6.212724
  H      -1.021277      3.144643      4.646190
  H      -0.239555      2.966258      6.250252
  H      -4.758767      4.350556      6.800451
  H      -4.256138      5.717125      5.776007
  H      -2.321773      4.758114      7.245505
  H      -2.036334      4.832188      5.483290
  H      -3.921439      1.294712      8.851149
  H      -4.307906      2.990537      8.476114
  H      -2.000864      1.249836      7.488859
  H      -1.864858      2.838372      8.278110
  C      -7.655338      0.291165     -0.920333
  C      -6.777955      0.437964      0.314758
  O      -5.993331      1.379926      0.437966
  C      -6.868832     -0.609076      1.366143
  C      -7.877865     -1.580649      1.385703
  C      -7.964778     -2.470722      2.441785
  C      -7.014353     -2.420006      3.454525
  F      -7.138217     -3.283215      4.468462
  C      -5.956249     -1.499395      3.447645
  C      -4.809450     -1.599846      4.391059
  O      -4.458890     -2.682502      4.865209
  N      -4.086005     -0.433050      4.592914
  C      -2.770096     -0.555029      4.893818
  C      -5.926273     -0.588652      2.399245
  C      -6.909018     12.100853      0.140475
  C      -7.135544     10.648451      0.515284
  O      -8.187362     10.082862      0.246274
  C      -6.043107      9.922382      1.229791
  C      -4.838549     10.544343      1.591240
  C      -3.842385      9.821058      2.247825
  C      -4.061538      8.480532      2.557756
  F      -3.050144      7.822082      3.169711
  C      -5.253195      7.817446      2.223415
  C      -5.565540      6.370502      2.514153
  O      -6.416473      5.789994      1.822676
  N      -4.938640      5.838507      3.625233
  C      -4.837390      4.528452      3.686918
  C      -6.220520      8.568926      1.543933
  C     -11.581077      1.263676      0.210950
  C     -10.752476      0.641832      1.314951
  O     -10.866009     -0.558605      1.587757
  C      -9.798682      1.514905      2.059666
  C      -9.576321      2.854045      1.700854
  C      -8.732030      3.655209      2.460457
  C      -8.102274      3.100917      3.570978
  F      -7.414221      3.928863      4.376117
  C      -8.224261      1.756646      3.917595
  C      -7.587473      1.161483      5.133282
  O      -8.250159      0.430007      5.868163
  N      -6.275384      1.520761      5.433136
  C      -5.926377      1.471667      6.736074
  C      -9.115422      0.988125      3.162527
  H      -8.723069      0.302771     -0.652528
  H      -7.451319      1.110235     -1.596883
  H      -7.463211     -0.660998     -1.428406
  H      -8.632185     -1.621884      0.602266
  H      -8.772329     -3.196685      2.501203
  H      -2.226869     -1.511259      4.934266
  H      -5.133528      0.150073      2.357363
  H      -6.693198     12.719435      1.024523
  H      -6.045739     12.192336     -0.539579
  H      -7.802536     12.478250     -0.351550
  H      -4.665422     11.595869      1.356464
  H      -2.889295     10.276258      2.521788
  H      -5.077539      3.907606      2.813403
  H      -7.144015      8.074023      1.249568
  H     -12.228842      0.495411     -0.218096
  H     -10.936546      1.688654     -0.580118
  H     -12.199212      2.095754      0.605281
  H     -10.075269      3.279114      0.836303
  H      -8.544631      4.699641      2.219440
  H      -6.652550      1.328522      7.542237
  H      -9.287820     -0.047452      3.442650
  N      -3.435579      1.985504      2.963369
  N      -2.999363      2.065725      1.928396
88
Coordinates from ORCA-job orca E -6723.645139757409
  N      -2.254435      0.650395      5.064481
  Mo     -4.004580      1.817660      4.889260
  N      -4.628465      1.642765      6.875353
  C      -3.892856      2.041916      8.045799
  C      -2.452233      2.234397      7.572048
  N      -2.377009      2.879511      6.220237
  C      -1.042220      2.594572      5.625944
  C      -0.917512      1.092096      5.355295
  C      -2.624834      4.352363      6.293380
  C      -4.092287      4.635527      5.998562
  N      -4.414370      3.860975      4.796638
  H      -0.243006      0.926793      4.507580
  H      -0.500295      0.554360      6.208855
  H      -0.996958      3.140589      4.688955
  H      -0.242246      2.968208      6.282733
  H      -4.753365      4.328433      6.823314
  H      -4.242691      5.710795      5.818572
  H      -2.304758      4.742651      7.272276
  H      -2.015277      4.833862      5.516953
  H      -3.916053      1.278798      8.844154
  H      -4.308385      2.976141      8.467506
  H      -1.987280      1.248291      7.489506
  H      -1.860822      2.832206      8.281873
  C      -7.647580      0.374245     -0.938342
  C      -6.733399      0.451327      0.247663
  O      -5.903160      1.350019      0.328944
  C      -6.850812     -0.585247      1.325165
  C      -7.895586     -1.536345      1.373930
  C      -8.001469     -2.419486      2.449778
  C      -7.043155     -2.379725      3.458808
  F      -7.183165     -3.233606      4.494510
  C      -5.956843     -1.471620      3.430864
  C      -4.811719     -1.573778      4.379280
  O      -4.473222     -2.650536      4.848897
  N      -4.074296     -0.414015      4.583646
  C      -2.754625     -0.536360      4.874260
  C      -5.899914     -0.571830      2.357590
  C      -6.903037     12.052667      0.083987
  C      -7.113254     10.601340      0.445147
  O      -8.151796     10.022982      0.127414
  C      -6.040244      9.891509      1.206272
  C      -4.846864     10.529843      1.601148
  C      -3.870811      9.825641      2.300164
  C      -4.092786      8.484618      2.614240
  F      -3.094486      7.845347      3.265832
  C      -5.269031      7.805158      2.247402
  C      -5.568146      6.355465      2.537734
  O      -6.407650      5.766990      1.849711
  N      -4.931184      5.841351      3.648909
  C      -4.823278      4.530374      3.704442
  C      -6.218525      8.540348      1.528422
  C     -11.620345      1.228364      0.242726
  C     -10.792346      0.621308      1.348892
  O     -10.920704     -0.566088      1.638258
  C      -9.822051      1.494037      2.076390
  C      -9.592852      2.837018      1.707372
  C      -8.737507      3.647825      2.455343
  C      -8.099966      3.095780      3.559089
  F      -7.397404      3.934157      4.354836
  C      -8.224045      1.742351      3.911046
  C      -7.580174      1.149208      5.127643
  O      -8.238629      0.417712      5.863665
  N      -6.266945      1.503415      5.419914
  C      -5.913727      1.448757      6.725996
  C      -9.129646      0.969656      3.170586
  H      -8.691054      0.454881     -0.604937
  H      -7.407660      1.187838     -1.646226
  H      -7.547132     -0.584691     -1.443662
  H      -8.652958     -1.570994      0.588358
  H      -8.825478     -3.126134      2.528905
  H      -2.218224     -1.483133      4.907011
  H      -5.078391      0.152308      2.295190
  H      -6.732832     12.667261      0.985985
  H      -6.011586     12.158991     -0.552900
  H      -7.789688     12.421868     -0.453622
  H      -4.670828     11.579048      1.360341
  H      -2.931482     10.294960      2.603907
  H      -5.059282      3.913856      2.824435
  H      -7.127361      8.032585      1.209566
  H     -12.285282      0.463863     -0.169953
  H     -10.973778      1.624671     -0.549865
  H     -12.223421      2.071162      0.620820
  H     -10.099147      3.261673      0.846958
  H      -8.550110      4.697032      2.208293
  H      -6.641844      1.295194      7.526289
  H      -9.310530     -0.065884      3.462950
  N      -3.426914      2.002330      2.968022
  N      -2.997036      2.097654      1.926719
88
Coordinates from ORCA-job orca E -6723.645385796134
  N      -2.264923      0.651921      5.072362
  Mo     -4.007793      1.829134      4.897640
  N      -4.631406      1.670930      6.883213
  C      -3.893756      2.071298      8.052495
  C      -2.453906      2.252896      7.574983
  N      -2.375547      2.888366      6.219493
  C      -1.044106      2.594627      5.620705
  C      -0.924830      1.088420      5.354861
  C      -2.614142      4.359549      6.285458
  C      -4.075148      4.651934      5.986788
  N      -4.406137      3.873564      4.799843
  H      -0.251885      0.916912      4.497950
  H      -0.503939      0.548061      6.211906
  H      -0.999988      3.136809      4.679219
  H      -0.240237      2.967483      6.272402
  H      -4.731648      4.357238      6.814169
  H      -4.221566      5.721938      5.794455
  H      -2.293273      4.750945      7.263013
  H      -2.002641      4.829755      5.508781
  H      -3.920186      1.314124      8.852308
  H      -4.301864      3.007939      8.473027
  H      -1.996920      1.262804      7.493433
  H      -1.856267      2.849930      8.281250
  C      -7.671512      0.301545     -0.949318
  C      -6.773714      0.413589      0.263644
  O      -5.974612      1.330226      0.363666
  C      -6.870871     -0.624091      1.335341
  C      -7.877308     -1.599892      1.357871
  C      -7.974483     -2.489265      2.432420
  C      -7.032240     -2.430721      3.459518
  F      -7.162491     -3.293300      4.491298
  C      -5.971187     -1.499092      3.450592
  C      -4.815614     -1.587431      4.403150
  O      -4.457750     -2.664043      4.888184
  N      -4.086519     -0.415841      4.599857
  C      -2.767121     -0.539027      4.892555
  C      -5.934940     -0.591810      2.384466
  C      -6.919951     12.055668      0.127649
  C      -7.147764     10.606091      0.495999
  O      -8.216155     10.045482      0.219738
  C      -6.051965      9.882826      1.224151
  C      -4.839639     10.503930      1.586937
  C      -3.858286      9.791207      2.263037
  C      -4.086500      8.458453      2.583216
  F      -3.087170      7.805688      3.211577
  C      -5.274134      7.796110      2.244978
  C      -5.575433      6.352415      2.543217
  O      -6.425789      5.762348      1.863612
  N      -4.928968      5.844532      3.644634
  C      -4.822982      4.535821      3.712757
  C      -6.235267      8.537858      1.550474
  C     -11.583429      1.286483      0.216353
  C     -10.744952      0.666769      1.310846
  O     -10.854360     -0.528259      1.577539
  C      -9.789298      1.538515      2.055581
  C      -9.574523      2.890445      1.706765
  C      -8.736357      3.698807      2.465670
  C      -8.099435      3.137837      3.563101
  F      -7.405980      3.964242      4.374688
  C      -8.209383      1.772560      3.901371
  C      -7.573041      1.165478      5.109431
  O      -8.239664      0.415096      5.836614
  N      -6.260477      1.533629      5.415137
  C      -5.918917      1.476207      6.727553
  C      -9.098954      1.000456      3.150802
  H      -8.723437      0.358454     -0.646843
  H      -7.448845      1.118314     -1.665053
  H      -7.533892     -0.666442     -1.441943
  H      -8.620404     -1.650653      0.557851
  H      -8.777108     -3.213958      2.494687
  H      -2.231227     -1.492428      4.934595
  H      -5.144115      0.154685      2.342679
  H      -6.714346     12.664481      1.019601
  H      -6.050331     12.150630     -0.528794
  H      -7.812618     12.442168     -0.385328
  H      -4.663686     11.547741      1.343487
  H      -2.912522     10.246953      2.544512
  H      -5.068779      3.912373      2.846548
  H      -7.160815      8.041428      1.256027
  H     -12.243902      0.517846     -0.210674
  H     -10.943653      1.705815     -0.578669
  H     -12.188776      2.116815      0.614179
  H     -10.085456      3.333824      0.845166
  H      -8.562648      4.752744      2.235893
  H      -6.656417      1.319423      7.529575
  H      -9.271275     -0.042115      3.430968
  N      -3.444939      1.997275      2.963461
  N      -3.019897      2.090328      1.911085
88
Coordinates from ORCA-job orca E -6723.646122538430
  N      -2.287176      0.651969      5.078892
  Mo     -4.020154      1.834452      4.884464
  N      -4.644533      1.698402      6.873389
  C      -3.903082      2.113679      8.037206
  C      -2.468947      2.280936      7.561295
  N      -2.388090      2.904097      6.196429
  C      -1.058844      2.598278      5.598960
  C      -0.946321      1.088016      5.358084
  C      -2.620871      4.381371      6.244599
  C      -4.082427      4.676888      5.947619
  N      -4.411561      3.881624      4.766690
  H      -0.272397      0.905012      4.503220
  H      -0.523180      0.552260      6.227079
  H      -1.018855      3.136301      4.642333
  H      -0.245467      2.972532      6.245368
  H      -4.743542      4.386888      6.784770
  H      -4.226416      5.754900      5.746804
  H      -2.296217      4.782233      7.216695
  H      -2.007933      4.843234      5.457793
  H      -3.931297      1.373311      8.848731
  H      -4.301082      3.056006      8.438960
  H      -2.021678      1.287271      7.489289
  H      -1.869715      2.880919      8.264673
  C      -7.669543      0.229626     -0.926850
  C      -6.801805      0.378432      0.298721
  O      -6.027815      1.323660      0.416166
  C      -6.888843     -0.662268      1.361948
  C      -7.878430     -1.655851      1.377988
  C      -7.966632     -2.544007      2.446631
  C      -7.028383     -2.468717      3.470842
  F      -7.151846     -3.329210      4.492958
  C      -5.982794     -1.523427      3.467276
  C      -4.822032     -1.601066      4.417091
  O      -4.457592     -2.678836      4.910123
  N      -4.095737     -0.423988      4.601916
  C      -2.783132     -0.541492      4.909582
  C      -5.959159     -0.616361      2.407731
  C      -6.915941     12.115374      0.229537
  C      -7.147626     10.660315      0.588167
  O      -8.221255     10.115897      0.341325
  C      -6.048689      9.913396      1.269724
  C      -4.828018     10.516549      1.605120
  C      -3.833451      9.779214      2.232218
  C      -4.062206      8.440054      2.533243
  F      -3.034597      7.758195      3.102451
  C      -5.271858      7.796201      2.227480
  C      -5.577022      6.350403      2.510168
  O      -6.429482      5.762817      1.826687
  N      -4.931990      5.841610      3.606364
  C      -4.827499      4.532994      3.675953
  C      -6.244225      8.562136      1.580419
  C     -11.542917      1.287311      0.178934
  C     -10.718419      0.663768      1.291408
  O     -10.831338     -0.530703      1.563979
  C      -9.772672      1.539745      2.040096
  C      -9.555792      2.886345      1.688203
  C      -8.723349      3.694248      2.447797
  C      -8.094574      3.132855      3.558046
  F      -7.407525      3.960162      4.375064
  C      -8.210585      1.775691      3.900693
  C      -7.578338      1.178565      5.114411
  O      -8.244055      0.442785      5.852519
  N      -6.271676      1.541635      5.418624
  C      -5.929317      1.503056      6.725239
  C      -9.093127      1.005082      3.145915
  H      -8.734276      0.254898     -0.656598
  H      -7.458480      1.049077     -1.620376
  H      -7.481559     -0.742582     -1.419810
  H      -8.621905     -1.718289      0.583174
  H      -8.767965     -3.286608      2.506260
  H      -2.250761     -1.493862      4.969881
  H      -5.175210      0.137460      2.364934
  H      -6.669889     12.710600      1.123341
  H      -6.062604     12.206821     -0.462999
  H      -7.826647     12.522374     -0.242389
  H      -4.642812     11.564673      1.371583
  H      -2.867670     10.219350      2.482927
  H      -5.074442      3.903994      2.815311
  H      -7.185264      8.081312      1.310181
  H     -12.197097      0.520423     -0.255905
  H     -10.900519      1.706052     -0.615404
  H     -12.144432      2.117727      0.569358
  H     -10.056504      3.321842      0.821243
  H      -8.543368      4.742113      2.209291
  H      -6.663790      1.360328      7.530002
  H      -9.264501     -0.035002      3.427408
  N      -3.452654      1.972747      2.950447
  N      -3.026906      2.041595      1.902320
88
Coordinates from ORCA-job orca E -6723.645409062978
  N      -2.294846      0.646825      5.064388
  Mo     -4.031916      1.826171      4.891892
  N      -4.637834      1.676558      6.893741
  C      -3.888162      2.065842      8.063136
  C      -2.455434      2.240610      7.569813
  N      -2.392289      2.884143      6.203317
  C      -1.058139      2.587994      5.580683
  C      -0.942342      1.084519      5.330507
  C      -2.631579      4.360198      6.267989
  C      -4.082616      4.659074      5.967074
  N      -4.416914      3.874026      4.779433
  H      -0.284657      0.909343      4.468446
  H      -0.502231      0.549022      6.197193
  H      -1.041109      3.142557      4.617412
  H      -0.230073      2.958387      6.218647
  H      -4.735564      4.377597      6.796236
  H      -4.220974      5.721390      5.765883
  H      -2.306139      4.755549      7.245137
  H      -2.022507      4.822150      5.482881
  H      -3.904782      1.303762      8.864590
  H      -4.287722      3.002538      8.494523
  H      -1.998355      1.245108      7.480560
  H      -1.848762      2.832247      8.274889
  C      -7.672469      0.235090     -0.937314
  C      -6.799727      0.403832      0.289401
  O      -6.019178      1.351456      0.386225
  C      -6.891154     -0.642094      1.362715
  C      -7.886374     -1.626540      1.388724
  C      -7.970574     -2.512890      2.457041
  C      -7.031362     -2.442230      3.476409
  F      -7.149480     -3.299692      4.501969
  C      -5.991551     -1.508064      3.467704
  C      -4.847431     -1.595020      4.411564
  O      -4.495836     -2.671958      4.894527
  N      -4.122579     -0.426020      4.604556
  C      -2.801855     -0.548831      4.889450
  C      -5.962310     -0.603565      2.404693
  C      -6.921030     12.111622      0.168398
  C      -7.138279     10.654864      0.527809
  O      -8.187348     10.080123      0.238429
  C      -6.040235      9.933999      1.246002
  C      -4.844141     10.564740      1.619946
  C      -3.851241      9.847032      2.281048
  C      -4.066236      8.503996      2.584274
  F      -3.057650      7.853409      3.203322
  C      -5.248855      7.832013      2.237578
  C      -5.554326      6.377634      2.513029
  O      -6.402837      5.803375      1.816610
  N      -4.921032      5.844820      3.621974
  C      -4.825791      4.534058      3.684310
  C      -6.212105      8.578333      1.553760
  C     -11.547149      1.250309      0.191773
  C     -10.727580      0.648142      1.315073
  O     -10.843028     -0.539641      1.605173
  C      -9.777312      1.530215      2.048187
  C      -9.545098      2.861961      1.674314
  C      -8.702326      3.670083      2.424963
  C      -8.081293      3.123463      3.551079
  F      -7.394893      3.953234      4.357161
  C      -8.211019      1.781556      3.913103
  C      -7.573396      1.182549      5.132207
  O      -8.229085      0.445514      5.865080
  N      -6.267125      1.545795      5.439331
  C      -5.920864      1.487647      6.747991
  C      -9.104199      1.014644      3.162218
  H      -8.741232      0.232570     -0.661481
  H      -7.475921      1.063322     -1.622902
  H      -7.467021     -0.732194     -1.438620
  H      -8.631418     -1.681170      0.601579
  H      -8.776136     -3.249394      2.526822
  H      -2.264325     -1.506196      4.922507
  H      -5.181817      0.148251      2.359477
  H      -6.725177     12.716473      1.054538
  H      -6.055292     12.220100     -0.496189
  H      -7.806745     12.489137     -0.331673
  H      -4.676918     11.618570      1.391641
  H      -2.905065     10.307997      2.565538
  H      -5.075391      3.907859      2.810360
  H      -7.131068      8.075410      1.251375
  H     -12.195131      0.482119     -0.229926
  H     -10.897791      1.652562     -0.593466
  H     -12.159800      2.087373      0.554226
  H     -10.037829      3.281456      0.800741
  H      -8.509552      4.711963      2.169049
  H      -6.648843      1.340284      7.557989
  H      -9.280648     -0.016634      3.456817
  N      -3.471712      1.985897      2.958112
  N      -3.053197      2.059485      1.912739
88
Coordinates from ORCA-job orca E -6723.645064421836
  N      -2.283782      0.651888      5.051835
  Mo     -4.027434      1.830822      4.885416
  N      -4.644000      1.668163      6.887588
  C      -3.900629      2.053018      8.062932
  C      -2.465691      2.235835      7.573733
  N      -2.401516      2.884066      6.207589
  C      -1.068615      2.592689      5.586301
  C      -0.943338      1.089906      5.316469
  C      -2.652602      4.357444      6.280079
  C      -4.106134      4.647130      5.991358
  N      -4.433650      3.872924      4.797591
  H      -0.287555      0.918388      4.448455
  H      -0.507041      0.555645      6.173245
  H      -1.037084      3.148126      4.634245
  H      -0.259413      2.958599      6.233583
  H      -4.751756      4.350155      6.823709
  H      -4.257366      5.711433      5.798668
  H      -2.332425      4.750593      7.258580
  H      -2.047765      4.830367      5.491531
  H      -3.919783      1.283587      8.860136
  H      -4.306992      2.989061      8.499560
  H      -2.002374      1.242614      7.484486
  H      -1.866960      2.830956      8.282665
  C      -7.694309      0.243759     -0.935704
  C      -6.808380      0.412979      0.290043
  O      -6.033503      1.362705      0.397239
  C      -6.878128     -0.627610      1.354676
  C      -7.881491     -1.612638      1.394601
  C      -7.954821     -2.496641      2.462964
  C      -6.999113     -2.423341      3.471791
  F      -7.113282     -3.280749      4.504209
  C      -5.948221     -1.488920      3.444844
  C      -4.805145     -1.577801      4.378111
  O      -4.445366     -2.653105      4.849253
  N      -4.093087     -0.412714      4.581802
  C      -2.769880     -0.539401      4.863376
  C      -5.928248     -0.585536      2.382389
  C      -6.895507     12.101921      0.138926
  C      -7.110715     10.646652      0.502035
  O      -8.144077     10.076857      0.215553
  C      -6.022944      9.927647      1.232055
  C      -4.819150     10.555396      1.607575
  C      -3.833590      9.837347      2.280610
  C      -4.061066      8.496308      2.591818
  F      -3.063456      7.843242      3.221727
  C      -5.246119      7.828173      2.241517
  C      -5.562456      6.381198      2.534091
  O      -6.411465      5.804498      1.844436
  N      -4.938706      5.849448      3.646712
  C      -4.836529      4.539822      3.705350
  C      -6.205177      8.574337      1.547309
  C     -11.561812      1.241744      0.211845
  C     -10.739278      0.635741      1.320175
  O     -10.851744     -0.558062      1.603049
  C      -9.787537      1.513155      2.056093
  C      -9.565795      2.852535      1.686715
  C      -8.726173      3.662785      2.442856
  C      -8.102207      3.121832      3.554178
  F      -7.422933      3.957851      4.362781
  C      -8.220236      1.771562      3.912200
  C      -7.591638      1.182621      5.135265
  O      -8.264964      0.457297      5.876146
  N      -6.274045      1.542871      5.428656
  C      -5.928700      1.481481      6.740329
  C      -9.107704      0.994346      3.162980
  H      -8.755596      0.258560     -0.652831
  H      -7.494021      1.053580     -1.629057
  H      -7.508884     -0.714949     -1.433490
  H      -8.639860     -1.671848      0.614546
  H      -8.755027     -3.236460      2.534025
  H      -2.212142     -1.497359      4.886426
  H      -5.140079      0.161674      2.324365
  H      -6.689258     12.712024      1.041189
  H      -6.031989     12.213719     -0.547465
  H      -7.787869     12.470464     -0.358047
  H      -4.640933     11.607142      1.372203
  H      -2.885718     10.296233      2.568178
  H      -5.074888      3.920781      2.827527
  H      -7.132255      8.074874      1.244745
  H     -12.210376      0.472310     -0.206658
  H     -10.908007      1.651351     -0.579266
  H     -12.181163      2.075632      0.590511
  H     -10.065921      3.278012      0.814337
  H      -8.542914      4.708885      2.198311
  H      -6.659766      1.325797      7.550069
  H      -9.280802     -0.041171      3.452387
  N      -3.449736      2.003641      2.958684
  N      -3.020519      2.091922      1.916415
88
Coordinates from ORCA-job orca E -6723.644184450945
  N      -2.245880      0.652738      5.067213
  Mo     -3.996486      1.822059      4.888601
  N      -4.634400      1.643708      6.871782
  C      -3.897023      2.044759      8.036748
  C      -2.457579      2.235417      7.571624
  N      -2.377860      2.880276      6.226103
  C      -1.038787      2.603472      5.633428
  C      -0.901974      1.095090      5.350198
  C      -2.630306      4.351034      6.303391
  C      -4.103365      4.631543      6.012132
  N      -4.415450      3.866853      4.806042
  H      -0.214104      0.943135      4.485187
  H      -0.479553      0.537168      6.201545
  H      -0.985583      3.152650      4.705154
  H      -0.247684      2.976374      6.293354
  H      -4.771710      4.306008      6.833766
  H      -4.262602      5.715398      5.841658
  H      -2.311947      4.733060      7.282086
  H      -2.022655      4.843979      5.527885
  H      -3.924589      1.293021      8.827602
  H      -4.303941      2.968894      8.449947
  H      -1.998151      1.254680      7.489042
  H      -1.866114      2.832078      8.280662
  C      -7.677696      0.336795     -0.940579
  C      -6.766261      0.442445      0.270614
  O      -5.944681      1.357774      0.366154
  C      -6.868583     -0.589121      1.340396
  C      -7.893227     -1.538754      1.377354
  C      -7.993152     -2.420576      2.443889
  C      -7.041560     -2.383811      3.453384
  F      -7.178726     -3.240750      4.482983
  C      -5.958959     -1.477925      3.430710
  C      -4.802144     -1.580075      4.378929
  O      -4.443419     -2.666230      4.853021
  N      -4.065819     -0.409649      4.577953
  C      -2.738181     -0.532178      4.870053
  C      -5.917851     -0.578036      2.369832
  C      -6.921926     12.057281      0.105433
  C      -7.109727     10.613090      0.468519
  O      -8.153643     10.043098      0.175358
  C      -6.025074      9.902095      1.211572
  C      -4.820533     10.535952      1.586900
  C      -3.838843      9.829405      2.272228
  C      -4.068989      8.490399      2.593706
  F      -3.078704      7.844422      3.234695
  C      -5.251506      7.815555      2.244659
  C      -5.554652      6.370473      2.547018
  O      -6.398062      5.775388      1.864930
  N      -4.926525      5.853431      3.658039
  C      -4.812811      4.544275      3.711909
  C      -6.204573      8.551361      1.536234
  C     -11.622547      1.225725      0.229192
  C     -10.802322      0.623728      1.342662
  O     -10.948404     -0.559263      1.640226
  C      -9.821006      1.489361      2.070376
  C      -9.582023      2.824689      1.689284
  C      -8.724059      3.629430      2.436756
  C      -8.096961      3.088381      3.542392
  F      -7.396632      3.927383      4.328798
  C      -8.230017      1.743549      3.907260
  C      -7.601017      1.160475      5.131773
  O      -8.280048      0.438119      5.869524
  N      -6.279394      1.507841      5.425159
  C      -5.924968      1.456252      6.725531
  C      -9.135459      0.971688      3.168740
  H      -8.734476      0.403660     -0.640708
  H      -7.449928      1.149057     -1.645183
  H      -7.547005     -0.628277     -1.434638
  H      -8.641757     -1.572278      0.590455
  H      -8.801889     -3.122850      2.513380
  H      -2.188474     -1.479992      4.899945
  H      -5.108469      0.143325      2.315876
  H      -6.733902     12.651356      1.018667
  H      -6.050660     12.187133     -0.560870
  H      -7.824565     12.419216     -0.414963
  H      -4.644515     11.585396      1.344489
  H      -2.897030     10.295521      2.563056
  H      -5.042523      3.935332      2.832204
  H      -7.119102      8.047425      1.229466
  H     -12.296092      0.457793     -0.187662
  H     -10.970186      1.618922     -0.569012
  H     -12.217205      2.071151      0.607421
  H     -10.084694      3.248325      0.821335
  H      -8.530451      4.669644      2.186865
  H      -6.655130      1.316326      7.524767
  H      -9.325736     -0.057699      3.469440
  N      -3.404650      2.008477      2.974432
  N      -2.963461      2.105968      1.941954
88
Coordinates from ORCA-job orca E -6723.645315822685
  N      -2.259647      0.652527      5.075655
  Mo     -4.003541      1.830224      4.885773
  N      -4.634400      1.671657      6.870984
  C      -3.896000      2.079640      8.036285
  C      -2.451720      2.262582      7.565813
  N      -2.369711      2.892606      6.209762
  C      -1.037714      2.595386      5.626098
  C      -0.919749      1.089691      5.368775
  C      -2.608224      4.365361      6.265458
  C      -4.081547      4.655339      5.973943
  N      -4.404564      3.872390      4.783585
  H      -0.234753      0.917788      4.519959
  H      -0.506814      0.548535      6.229251
  H      -0.982987      3.130303      4.687033
  H      -0.238717      2.968359      6.283556
  H      -4.747241      4.349242      6.805345
  H      -4.232277      5.741012      5.787079
  H      -2.283451      4.756969      7.236990
  H      -1.996889      4.840107      5.483432
  H      -3.922542      1.326454      8.842099
  H      -4.308620      3.017341      8.444119
  H      -1.993309      1.275426      7.494076
  H      -1.858195      2.863012      8.271620
  C      -7.665080      0.293144     -0.928114
  C      -6.776021      0.403742      0.277315
  O      -5.964244      1.319034      0.380471
  C      -6.877925     -0.623950      1.346916
  C      -7.897458     -1.587088      1.382369
  C      -8.001040     -2.467468      2.459069
  C      -7.051786     -2.416297      3.473551
  F      -7.192600     -3.269735      4.508140
  C      -5.969261     -1.498094      3.449364
  C      -4.803851     -1.588118      4.401135
  O      -4.449012     -2.666917      4.889386
  N      -4.068489     -0.416940      4.589190
  C      -2.755459     -0.537013      4.898380
  C      -5.930559     -0.598116      2.382000
  C      -6.923203     12.079327      0.165432
  C      -7.143570     10.628457      0.524777
  O      -8.210288     10.065465      0.252582
  C      -6.052334      9.901956      1.242273
  C      -4.848615     10.524451      1.607717
  C      -3.858492      9.806148      2.267191
  C      -4.071921      8.464936      2.567980
  F      -3.054444      7.804154      3.173500
  C      -5.262331      7.801316      2.231584
  C      -5.560417      6.353544      2.519579
  O      -6.402487      5.759248      1.832976
  N      -4.922447      5.845335      3.626471
  C      -4.816180      4.535333      3.692511
  C      -6.230888      8.550678      1.553878
  C     -11.596022      1.269426      0.189261
  C     -10.774617      0.649914      1.305747
  O     -10.908857     -0.537186      1.588264
  C      -9.805317      1.517318      2.048914
  C      -9.570277      2.858081      1.683226
  C      -8.718479      3.660592      2.437934
  C      -8.091604      3.103449      3.549045
  F      -7.392324      3.931909      4.348354
  C      -8.222379      1.752957      3.900821
  C      -7.585346      1.156453      5.118309
  O      -8.252439      0.417145      5.852705
  N      -6.274077      1.519334      5.420243
  C      -5.921287      1.474825      6.724173
  C      -9.122729      0.985922      3.153519
  H      -8.715895      0.372356     -0.631956
  H      -7.428923      1.096280     -1.631548
  H      -7.533957     -0.684115     -1.419309
  H      -8.647746     -1.632680      0.592155
  H      -8.811008     -3.182579      2.529526
  H      -2.224543     -1.486809      4.957599
  H      -5.122067      0.133754      2.325351
  H      -6.717891     12.682466      1.063007
  H      -6.053031     12.182243     -0.493476
  H      -7.818771     12.464028     -0.341019
  H      -4.676648     11.572977      1.374612
  H      -2.911969     10.262870      2.545717
  H      -5.054711      3.914754      2.824014
  H      -7.153947      8.055982      1.260225
  H     -12.266821      0.506542     -0.239694
  H     -10.950707      1.671202     -0.603691
  H     -12.185942      2.111360      0.572011
  H     -10.069190      3.287956      0.815242
  H      -8.523961      4.702998      2.190316
  H      -6.650414      1.328370      7.524949
  H      -9.306674     -0.048711      3.442426
  N      -3.428416      1.990304      2.957129
  N      -2.998327      2.079644      1.911019
88
Coordinates from ORCA-job orca E -6723.645814430264
  N      -2.285023      0.652967      5.074282
  Mo     -4.019694      1.831703      4.884591
  N      -4.637697      1.690190      6.869997
  C      -3.898118      2.096711      8.037355
  C      -2.463011      2.268401      7.560845
  N      -2.383565      2.899586      6.201280
  C      -1.053059      2.601498      5.602430
  C      -0.940460      1.091440      5.355646
  C      -2.618076      4.376380      6.257956
  C      -4.079226      4.668848      5.953718
  N      -4.407596      3.878605      4.768742
  H      -0.268667      0.914439      4.502966
  H      -0.515633      0.554177      6.220347
  H      -1.017579      3.144552      4.648935
  H      -0.236165      2.977533      6.248438
  H      -4.740606      4.379007      6.781814
  H      -4.222009      5.742869      5.757331
  H      -2.296311      4.775589      7.234033
  H      -2.003430      4.842878      5.479841
  H      -3.926988      1.347909      8.843564
  H      -4.298229      3.036997      8.448673
  H      -2.013570      1.275276      7.482906
  H      -1.863311      2.864647      8.266261
  C      -7.647868      0.288878     -0.935549
  C      -6.753367      0.399489      0.268876
  O      -5.951451      1.317909      0.363351
  C      -6.864724     -0.633887      1.344962
  C      -7.876926     -1.605005      1.373157
  C      -7.982894     -2.487076      2.448907
  C      -7.045246     -2.427498      3.469989
  F      -7.181606     -3.281733      4.496931
  C      -5.986110     -1.500835      3.460741
  C      -4.833817     -1.589307      4.413785
  O      -4.484944     -2.665327      4.902182
  N      -4.102448     -0.420155      4.602929
  C      -2.790608     -0.540654      4.905843
  C      -5.939545     -0.600265      2.392360
  C      -6.901054     12.092813      0.188813
  C      -7.138937     10.634006      0.547233
  O      -8.201149     10.080908      0.270433
  C      -6.055189      9.899817      1.260556
  C      -4.840357     10.511848      1.618922
  C      -3.851521      9.784958      2.269381
  C      -4.080107      8.448005      2.571291
  F      -3.057569      7.779906      3.167098
  C      -5.283310      7.795982      2.243540
  C      -5.580138      6.349370      2.518929
  O      -6.426404      5.760941      1.828052
  N      -4.930977      5.842028      3.614200
  C      -4.822240      4.533941      3.678307
  C      -6.247477      8.551745      1.572554
  C     -11.571261      1.253471      0.216390
  C     -10.740645      0.637656      1.324309
  O     -10.855795     -0.554842      1.609213
  C      -9.786796      1.514738      2.056092
  C      -9.566878      2.860285      1.690407
  C      -8.726549      3.673213      2.433405
  C      -8.090731      3.115148      3.541087
  F      -7.396915      3.951722      4.340528
  C      -8.209080      1.758455      3.894812
  C      -7.572656      1.167133      5.105705
  O      -8.235360      0.424236      5.844769
  N      -6.266546      1.537658      5.411376
  C      -5.923136      1.493119      6.720840
  C      -9.100515      0.984415      3.157302
  H      -8.706565      0.342101     -0.629299
  H      -7.422190      1.109897     -1.646853
  H      -7.506728     -0.681781     -1.431264
  H      -8.619106     -1.656059      0.577748
  H      -8.798615     -3.208902      2.518520
  H      -2.258603     -1.492219      4.962967
  H      -5.143165      0.139250      2.346127
  H      -6.682427     12.697741      1.084635
  H      -6.028557     12.184874     -0.474007
  H      -7.798711     12.494011     -0.312507
  H      -4.654663     11.557441      1.384071
  H      -2.889643     10.232019      2.538900
  H      -5.063598      3.907994      2.811999
  H      -7.174642      8.063323      1.280369
  H     -12.232043      0.486633     -0.198958
  H     -10.929954      1.655726     -0.586282
  H     -12.170639      2.095798      0.600065
  H     -10.072669      3.291054      0.827949
  H      -8.545141      4.721280      2.186438
  H      -6.657196      1.344577      7.524676
  H      -9.275652     -0.053099      3.450226
  N      -3.461180      1.977714      2.953113
  N      -3.039775      2.051036      1.904842
88
Coordinates from ORCA-job orca E -6723.644625509688
  N      -2.285986      0.649514      5.064272
  Mo     -4.023818      1.832908      4.887546
  N      -4.643877      1.681404      6.886768
  C      -3.899137      2.075997      8.056891
  C      -2.469093      2.249592      7.571980
  N      -2.395851      2.891365      6.207239
  C      -1.063004      2.591427      5.589529
  C      -0.947032      1.084856      5.330833
  C      -2.636042      4.369419      6.272472
  C      -4.085070      4.667283      5.974097
  N      -4.419929      3.883031      4.786922
  H      -0.290175      0.908847      4.466118
  H      -0.513138      0.548364      6.189831
  H      -1.034305      3.148922      4.629053
  H      -0.242808      2.957590      6.232921
  H      -4.734595      4.382434      6.807966
  H      -4.225022      5.729216      5.774898
  H      -2.314045      4.769151      7.251008
  H      -2.026247      4.829699      5.485355
  H      -3.923128      1.319586      8.855420
  H      -4.294336      3.014110      8.482135
  H      -2.015686      1.253047      7.484336
  H      -1.868698      2.844485      8.280215
  C      -7.708908      0.211613     -0.940073
  C      -6.836242      0.385406      0.294503
  O      -6.073682      1.338746      0.401230
  C      -6.906281     -0.670415      1.358421
  C      -7.892520     -1.679105      1.380204
  C      -7.955022     -2.569952      2.447505
  C      -7.003622     -2.478236      3.470684
  F      -7.105012     -3.336845      4.496134
  C      -5.979399     -1.521755      3.465455
  C      -4.833322     -1.594654      4.410459
  O      -4.474856     -2.668681      4.906046
  N      -4.108370     -0.416313      4.601062
  C      -2.788654     -0.540822      4.885229
  C      -5.968379     -0.614256      2.401854
  C      -6.922894     12.136535      0.185532
  C      -7.116379     10.682027      0.522901
  O      -8.170752     10.120911      0.229716
  C      -6.007678      9.942944      1.231359
  C      -4.801314     10.562927      1.596542
  C      -3.823841      9.838105      2.261974
  C      -4.057569      8.495651      2.573893
  F      -3.067506      7.837488      3.195403
  C      -5.243438      7.832637      2.234389
  C      -5.564790      6.382708      2.526240
  O      -6.424544      5.810372      1.848986
  N      -4.929728      5.851270      3.629297
  C      -4.832737      4.541685      3.695636
  C      -6.196480      8.586919      1.547820
  C     -11.532124      1.256745      0.188471
  C     -10.708611      0.644727      1.303769
  O     -10.812650     -0.552893      1.583512
  C      -9.768988      1.530688      2.044457
  C      -9.548013      2.869947      1.683752
  C      -8.715957      3.683701      2.441662
  C      -8.093734      3.134414      3.562774
  F      -7.411419      3.963506      4.389257
  C      -8.210796      1.783237      3.913874
  C      -7.570975      1.184601      5.130964
  O      -8.219765      0.451049      5.864802
  N      -6.269352      1.550601      5.429079
  C      -5.924802      1.493863      6.737641
  C      -9.094255      1.010373      3.155449
  H      -8.773845      0.204511     -0.675470
  H      -7.523714      1.040149     -1.631103
  H      -7.495993     -0.754041     -1.434091
  H      -8.651952     -1.749936      0.592332
  H      -8.757464     -3.328971      2.514915
  H      -2.256125     -1.496856      4.919268
  H      -5.198315      0.154355      2.358110
  H      -6.714044     12.724990      1.092727
  H      -6.063586     12.247300     -0.487942
  H      -7.835198     12.531732     -0.303407
  H      -4.624145     11.616673      1.363474
  H      -2.876740     10.291896      2.542464
  H      -5.085496      3.914178      2.827520
  H      -7.130027      8.091202      1.257897
  H     -12.173684      0.486971     -0.235132
  H     -10.889898      1.670112     -0.603204
  H     -12.146203      2.090090      0.566243
  H     -10.044525      3.297449      0.809193
  H      -8.532826      4.732619      2.199271
  H      -6.654658      1.344374      7.548596
  H      -9.264062     -0.027280      3.441349
  N      -3.460731      1.994215      2.946366
  N      -3.040713      2.080369      1.894387
88
Coordinates from ORCA-job orca E -6723.645232640953
  N      -2.273128      0.652304      5.048630
  Mo     -4.017321      1.827872      4.886902
  N      -4.635769      1.663278      6.885404
  C      -3.890470      2.052106      8.058005
  C      -2.460168      2.230665      7.573388
  N      -2.394707      2.879571      6.212371
  C      -1.060489      2.592143      5.588250
  C      -0.931203      1.090296      5.315089
  C      -2.644149      4.352000      6.292426
  C      -4.094387      4.646631      5.995718
  N      -4.419649      3.872864      4.795429
  H      -0.271592      0.924600      4.445029
  H      -0.492675      0.548638      6.172589
  H      -1.037180      3.150429      4.635609
  H      -0.248470      2.960003      6.233472
  H      -4.751324      4.352318      6.825170
  H      -4.237777      5.711138      5.805379
  H      -2.327036      4.740519      7.275709
  H      -2.035603      4.825708      5.509446
  H      -3.910078      1.292395      8.853853
  H      -4.289825      2.983871      8.488748
  H      -2.002785      1.240049      7.481521
  H      -1.859714      2.822380      8.283394
  C      -7.706727      0.230739     -0.923222
  C      -6.832562      0.403331      0.304244
  O      -6.058213      1.355995      0.410145
  C      -6.902531     -0.643590      1.368685
  C      -7.890733     -1.637851      1.394893
  C      -7.960562     -2.529887      2.458435
  C      -7.010110     -2.454672      3.473913
  F      -7.117481     -3.320174      4.499063
  C      -5.970248     -1.510803      3.460279
  C      -4.818387     -1.595296      4.395754
  O      -4.448382     -2.671103      4.868298
  N      -4.096725     -0.424560      4.589099
  C      -2.766338     -0.543085      4.864137
  C      -5.958197     -0.600642      2.402941
  C      -6.905780     12.092212      0.126697
  C      -7.142065     10.639291      0.509762
  O      -8.188126     10.064913      0.235155
  C      -6.050316      9.925735      1.239118
  C      -4.853042     10.558839      1.612019
  C      -3.858879      9.845204      2.280965
  C      -4.071115      8.503999      2.591263
  F      -3.060441      7.853421      3.215504
  C      -5.250042      7.831107      2.244568
  C      -5.548804      6.379803      2.532351
  O      -6.393554      5.795831      1.839955
  N      -4.918519      5.852573      3.645234
  C      -4.818228      4.540598      3.700939
  C      -6.219476      8.571713      1.555037
  C     -11.542001      1.268978      0.175589
  C     -10.731375      0.671624      1.299598
  O     -10.854961     -0.510576      1.588848
  C      -9.779667      1.547177      2.043106
  C      -9.549267      2.883670      1.680310
  C      -8.709612      3.690367      2.447721
  C      -8.091666      3.145533      3.566967
  F      -7.408075      3.970068      4.393128
  C      -8.214752      1.793537      3.918326
  C      -7.582401      1.186414      5.137261
  O      -8.247623      0.455246      5.866371
  N      -6.266447      1.540031      5.435063
  C      -5.920078      1.478451      6.738670
  C      -9.105417      1.024944      3.155770
  H      -8.773500      0.226349     -0.651499
  H      -7.511782      1.052196     -1.596851
  H      -7.498412     -0.724141     -1.428866
  H      -8.640662     -1.698663      0.609620
  H      -8.756038     -3.274972      2.523903
  H      -2.222476     -1.501724      4.891300
  H      -5.181046      0.156801      2.356018
  H      -6.702189     12.709421      1.002746
  H      -6.038190     12.192108     -0.551473
  H      -7.784641     12.460285     -0.372644
  H      -4.687332     11.611688      1.377576
  H      -2.914327     10.307767      2.566517
  H      -5.059705      3.922051      2.819602
  H      -7.143881      8.066552      1.256897
  H     -12.189726      0.499109     -0.255719
  H     -10.880757      1.676861     -0.602048
  H     -12.159041      2.096856      0.537278
  H     -10.044014      3.313255      0.802801
  H      -8.523700      4.737673      2.207110
  H      -6.649898      1.331590      7.546477
  H      -9.281469     -0.011768      3.441452
  N      -3.448136      2.001547      2.959462
  N      -3.024983      2.088096      1.916283
88
Coordinates from ORCA-job orca E -6723.644700474461
  N      -2.294316      0.654286      5.065317
  Mo     -4.030059      1.832876      4.888915
  N      -4.635944      1.681466      6.892519
  C      -3.888448      2.070965      8.061323
  C      -2.441663      2.253287      7.564983
  N      -2.379913      2.890215      6.196730
  C      -1.050787      2.590436      5.591480
  C      -0.941251      1.090417      5.343686
  C      -2.618519      4.361753      6.248159
  C      -4.087733      4.656331      5.962620
  N      -4.416446      3.875147      4.777619
  H      -0.276130      0.912252      4.491823
  H      -0.512840      0.559301      6.212100
  H      -1.014252      3.127937      4.641786
  H      -0.236158      2.960868      6.237283
  H      -4.743429      4.356644      6.795257
  H      -4.239608      5.736507      5.767538
  H      -2.285496      4.751747      7.215088
  H      -2.014396      4.831937      5.459068
  H      -3.904696      1.297941      8.869902
  H      -4.305457      3.012789      8.492068
  H      -1.975833      1.258837      7.485891
  H      -1.835263      2.849250      8.265019
  C      -7.665526      0.233483     -0.957859
  C      -6.775532      0.391077      0.263217
  O      -5.975332      1.326665      0.354280
  C      -6.879854     -0.623153      1.353373
  C      -7.892371     -1.581294      1.397830
  C      -7.995462     -2.448571      2.477133
  C      -7.058010     -2.387850      3.490464
  F      -7.196842     -3.230080      4.531688
  C      -5.983921     -1.476669      3.458789
  C      -4.832996     -1.569900      4.401307
  O      -4.487492     -2.646862      4.886237
  N      -4.110422     -0.408182      4.594776
  C      -2.794723     -0.536276      4.893783
  C      -5.939896     -0.589196      2.386716
  C      -6.922932     12.106329      0.198490
  C      -7.124555     10.648887      0.544216
  O      -8.171469     10.079048      0.255244
  C      -6.035085      9.925169      1.258760
  C      -4.837560     10.552247      1.635430
  C      -3.844953      9.830662      2.290786
  C      -4.064582      8.485172      2.583858
  F      -3.049427      7.825277      3.192773
  C      -5.252986      7.817186      2.235439
  C      -5.558505      6.366598      2.509995
  O      -6.395274      5.784405      1.806065
  N      -4.933564      5.846039      3.624320
  C      -4.826637      4.538394      3.687279
  C      -6.213767      8.568420      1.557760
  C     -11.573976      1.224385      0.198242
  C     -10.758290      0.621790      1.327274
  O     -10.890899     -0.567136      1.623184
  C      -9.792136      1.502814      2.054499
  C      -9.553340      2.832077      1.662340
  C      -8.699415      3.637741      2.398630
  C      -8.078999      3.101012      3.519504
  F      -7.388956      3.941375      4.294537
  C      -8.218402      1.765986      3.899579
  C      -7.587187      1.188199      5.125630
  O      -8.259659      0.458931      5.870590
  N      -6.275255      1.553420      5.432031
  C      -5.925426      1.493681      6.747257
  C      -9.117025      0.994075      3.167027
  H      -8.717511      0.296881     -0.667327
  H      -7.435031      1.024948     -1.677886
  H      -7.525253     -0.749934     -1.435835
  H      -8.631057     -1.631328      0.611641
  H      -8.795745     -3.162200      2.549847
  H      -2.241438     -1.488791      4.940418
  H      -5.129790      0.135706      2.321382
  H      -6.724524     12.695424      1.108672
  H      -6.059438     12.236927     -0.477995
  H      -7.816984     12.479877     -0.300479
  H      -4.662259     11.605819      1.410349
  H      -2.895633     10.289349      2.575523
  H      -5.062915      3.918995      2.814620
  H      -7.132027      8.072464      1.252445
  H     -12.242229      0.454265     -0.220450
  H     -10.918477      1.612192     -0.598843
  H     -12.169345      2.075026      0.561747
  H     -10.045300      3.241492      0.789404
  H      -8.499236      4.670031      2.127651
  H      -6.655563      1.336141      7.556057
  H      -9.300980     -0.031362      3.473410
  N      -3.459967      1.983448      2.962792
  N      -3.032347      2.055884      1.923640
88
Coordinates from ORCA-job orca E -6723.645879376658
  N      -2.281287      0.647327      5.073410
  Mo     -4.020665      1.829005      4.884145
  N      -4.643252      1.680053      6.872289
  C      -3.901546      2.079816      8.039317
  C      -2.459110      2.257142      7.563425
  N      -2.381426      2.891325      6.204443
  C      -1.048433      2.594003      5.611211
  C      -0.931296      1.084968      5.356727
  C      -2.618324      4.366071      6.261325
  C      -4.084403      4.657788      5.964907
  N      -4.412404      3.873123      4.779680
  H      -0.250911      0.913732      4.501225
  H      -0.507425      0.540244      6.220717
  H      -1.002176      3.134924      4.666018
  H      -0.240201      2.966873      6.263781
  H      -4.741052      4.362250      6.793811
  H      -4.231907      5.734879      5.770728
  H      -2.293036      4.760895      7.234412
  H      -2.007916      4.836606      5.478689
  H      -3.928085      1.323595      8.843397
  H      -4.307607      3.018287      8.453363
  H      -2.003897      1.266230      7.487328
  H      -1.860536      2.853881      8.269677
  C      -7.658830      0.279041     -0.926744
  C      -6.767387      0.399476      0.269489
  O      -5.953580      1.320080      0.361166
  C      -6.869150     -0.624758      1.344254
  C      -7.889889     -1.583169      1.389690
  C      -7.993935     -2.457523      2.470558
  C      -7.046620     -2.404247      3.479752
  F      -7.186864     -3.253005      4.517887
  C      -5.968230     -1.491674      3.447913
  C      -4.812652     -1.586847      4.394168
  O      -4.462630     -2.667157      4.872312
  N      -4.087062     -0.420237      4.588084
  C      -2.777917     -0.544325      4.895545
  C      -5.926791     -0.596641      2.376470
  C      -6.920488     12.085117      0.172575
  C      -7.123187     10.630627      0.515008
  O      -8.170432     10.058600      0.220683
  C      -6.035010      9.914525      1.244644
  C      -4.838425     10.545707      1.629951
  C      -3.852157      9.833200      2.300404
  C      -4.065524      8.490944      2.594997
  F      -3.060710      7.841042      3.218983
  C      -5.249744      7.818744      2.238380
  C      -5.549366      6.367553      2.514624
  O      -6.388777      5.778319      1.817091
  N      -4.917497      5.847389      3.622910
  C      -4.817613      4.537166      3.686480
  C      -6.211068      8.562793      1.548669
  C     -11.599906      1.243307      0.225878
  C     -10.772057      0.628809      1.333541
  O     -10.900455     -0.560388      1.626576
  C      -9.801285      1.501202      2.053551
  C      -9.565890      2.838633      1.670706
  C      -8.711751      3.645806      2.407911
  C      -8.083092      3.095462      3.518562
  F      -7.388841      3.931764      4.297758
  C      -8.215275      1.750896      3.884659
  C      -7.582148      1.162789      5.104470
  O      -8.251236      0.420814      5.841603
  N      -6.272929      1.535669      5.412410
  C      -5.928758      1.487936      6.723044
  C      -9.117392      0.979255      3.154279
  H      -8.717117      0.345927     -0.621999
  H      -7.428262      1.085712     -1.629634
  H      -7.519357     -0.696289     -1.418835
  H      -8.639318     -1.630722      0.603257
  H      -8.806176     -3.170916      2.548702
  H      -2.242130     -1.498637      4.949624
  H      -5.120553      0.131807      2.313597
  H      -6.722457     12.681265      1.085132
  H      -6.053462     12.206355     -0.488357
  H      -7.818973     12.461637     -0.335333
  H      -4.667420     11.595322      1.403451
  H      -2.911104     10.296030      2.595010
  H      -5.057279      3.916897      2.817186
  H      -7.124174      8.062297      1.236668
  H     -12.270078      0.478806     -0.181124
  H     -10.957444      1.633526     -0.580958
  H     -12.192379      2.097944      0.607940
  H     -10.065343      3.258926      0.807265
  H      -8.516011      4.688041      2.148607
  H      -6.662609      1.344159      7.524606
  H      -9.301577     -0.050647      3.454734
  N      -3.452140      1.985816      2.954791
  N      -3.025517      2.070848      1.910187
88
Coordinates from ORCA-job orca E -6723.644408717922
  N      -2.265841      0.659332      5.067931
  Mo     -4.007756      1.834863      4.886077
  N      -4.631582      1.676296      6.875392
  C      -3.890064      2.083311      8.040623
  C      -2.455315      2.262338      7.566133
  N      -2.376492      2.896259      6.209905
  C      -1.044318      2.603766      5.609943
  C      -0.928113      1.097010      5.348391
  C      -2.620203      4.372244      6.273755
  C      -4.088257      4.659781      5.978866
  N      -4.409302      3.880590      4.781864
  H      -0.258624      0.925228      4.493281
  H      -0.507645      0.559990      6.202497
  H      -1.003512      3.151685      4.663633
  H      -0.234472      2.975057      6.259503
  H      -4.754437      4.352038      6.804449
  H      -4.238538      5.738706      5.796535
  H      -2.299010      4.765714      7.249027
  H      -2.008399      4.850627      5.495048
  H      -3.916632      1.335380      8.840965
  H      -4.291839      3.017529      8.451835
  H      -1.999350      1.274318      7.488010
  H      -1.859327      2.862311      8.270485
  C      -7.671963      0.291162     -0.950858
  C      -6.766267      0.411761      0.280653
  O      -5.975290      1.325328      0.380347
  C      -6.869818     -0.627672      1.351263
  C      -7.887305     -1.603951      1.381135
  C      -7.982106     -2.489049      2.450883
  C      -7.036423     -2.426471      3.468968
  F      -7.163354     -3.279416      4.493065
  C      -5.981683     -1.494654      3.460918
  C      -4.828262     -1.576319      4.415418
  O      -4.478481     -2.650940      4.915904
  N      -4.088814     -0.402526      4.598472
  C      -2.768245     -0.526661      4.890467
  C      -5.939241     -0.593801      2.395010
  C      -6.887480     12.119106      0.178453
  C      -7.133303     10.659733      0.546982
  O      -8.197938     10.112293      0.277182
  C      -6.053055      9.913046      1.255531
  C      -4.826971     10.516368      1.596740
  C      -3.836423      9.780437      2.240358
  C      -4.076026      8.443051      2.553452
  F      -3.053856      7.766127      3.142123
  C      -5.287761      7.799420      2.243364
  C      -5.593427      6.355386      2.535481
  O      -6.447294      5.774781      1.861153
  N      -4.943022      5.846866      3.630210
  C      -4.822920      4.539558      3.691378
  C      -6.252312      8.562923      1.576695
  C     -11.576977      1.233560      0.181785
  C     -10.759060      0.631454      1.305174
  O     -10.881583     -0.556444      1.599154
  C      -9.801050      1.500202      2.048587
  C      -9.568878      2.837876      1.677817
  C      -8.721468      3.645751      2.436008
  C      -8.096205      3.097320      3.556627
  F      -7.402542      3.942448      4.370671
  C      -8.224636      1.745853      3.916547
  C      -7.587476      1.162712      5.132973
  O      -8.254447      0.430327      5.875649
  N      -6.277132      1.522993      5.432467
  C      -5.919047      1.478843      6.733793
  C      -9.120034      0.970844      3.168084
  H      -8.733165      0.345471     -0.661475
  H      -7.456757      1.109687     -1.676407
  H      -7.523462     -0.683102     -1.438113
  H      -8.640627     -1.654567      0.589896
  H      -8.801148     -3.215150      2.522755
  H      -2.230238     -1.475321      4.934982
  H      -5.146985      0.148883      2.352485
  H      -6.675179     12.730281      1.064277
  H      -6.007915     12.201227     -0.476866
  H      -7.780301     12.525972     -0.324532
  H      -4.635420     11.563520      1.354912
  H      -2.868618     10.221295      2.497885
  H      -5.053929      3.914872      2.818587
  H      -7.186456      8.079761      1.297066
  H     -12.233510      0.471151     -0.232114
  H     -10.926756      1.625029     -0.605842
  H     -12.183680      2.073227      0.543098
  H     -10.070719      3.271014      0.796818
  H      -8.530049      4.685031      2.192153
  H      -6.642634      1.331692      7.538775
  H      -9.304706     -0.062186      3.463488
  N      -3.442464      1.994995      2.953247
  N      -3.017011      2.083040      1.904128
88
Coordinates from ORCA-job orca E -6723.645313918385
  N      -2.265102      0.657893      5.052353
  Mo     -4.008752      1.835503      4.884309
  N      -4.633113      1.671056      6.875143
  C      -3.897308      2.063478      8.050656
  C      -2.466469      2.240594      7.571206
  N      -2.389550      2.889210      6.214115
  C      -1.056802      2.598446      5.598016
  C      -0.935231      1.095124      5.331083
  C      -2.634582      4.365082      6.291392
  C      -4.086575      4.661836      5.988977
  N      -4.410837      3.882893      4.792325
  H      -0.275571      0.924896      4.472485
  H      -0.508867      0.559677      6.184957
  H      -1.028428      3.154048      4.644408
  H      -0.244390      2.966640      6.243762
  H      -4.750380      4.369098      6.819117
  H      -4.225284      5.729923      5.798157
  H      -2.321858      4.756793      7.275901
  H      -2.017657      4.837285      5.513934
  H      -3.925707      1.301580      8.847935
  H      -4.298750      2.999946      8.480096
  H      -2.014442      1.246505      7.478645
  H      -1.869601      2.830041      8.283967
  C      -7.700668      0.257814     -0.928651
  C      -6.810969      0.399123      0.281040
  O      -6.022955      1.342601      0.376825
  C      -6.895632     -0.645507      1.353461
  C      -7.886497     -1.636087      1.370821
  C      -7.965440     -2.525798      2.435480
  C      -7.017730     -2.451972      3.460237
  F      -7.135186     -3.313264      4.484506
  C      -5.977762     -1.510527      3.457088
  C      -4.827484     -1.595520      4.402663
  O      -4.462305     -2.669632      4.889705
  N      -4.095404     -0.421174      4.595511
  C      -2.767870     -0.538641      4.879830
  C      -5.957072     -0.602756      2.398009
  C      -6.909889     12.082051      0.143272
  C      -7.144565     10.631883      0.517915
  O      -8.202350     10.074990      0.244361
  C      -6.045630      9.906270      1.236603
  C      -4.839690     10.527559      1.598946
  C      -3.853598      9.809702      2.264011
  C      -4.077372      8.472748      2.577445
  F      -3.067330      7.814947      3.192542
  C      -5.261634      7.810954      2.241138
  C      -5.563447      6.365177      2.531919
  O      -6.412240      5.771587      1.843227
  N      -4.927437      5.853482      3.638432
  C      -4.820350      4.544766      3.700487
  C      -6.225339      8.556431      1.556423
  C     -11.540027      1.274710      0.186608
  C     -10.720098      0.658095      1.309860
  O     -10.843960     -0.530773      1.590414
  C      -9.773042      1.541089      2.058744
  C      -9.554496      2.883461      1.704455
  C      -8.725063      3.699539      2.459161
  C      -8.096891      3.146143      3.572269
  F      -7.407156      3.967737      4.403657
  C      -8.208916      1.786589      3.917957
  C      -7.571558      1.181278      5.130459
  O      -8.228458      0.449274      5.863614
  N      -6.261019      1.537204      5.422324
  C      -5.916918      1.480127      6.725349
  C      -9.094977      1.019083      3.159957
  H      -8.748396      0.284288     -0.633482
  H      -7.489816      1.079760     -1.628419
  H      -7.544069     -0.705125     -1.424913
  H      -8.635706     -1.696303      0.577924
  H      -8.767986     -3.265204      2.495350
  H      -2.235705     -1.494293      4.926230
  H      -5.178162      0.152354      2.358060
  H      -6.688827     12.695651      1.030717
  H      -6.041652     12.170395     -0.535478
  H      -7.809962     12.468294     -0.353027
  H      -4.666312     11.575945      1.360866
  H      -2.901982     10.264091      2.539814
  H      -5.064808      3.924280      2.826579
  H      -7.159372      8.058987      1.268878
  H     -12.195642      0.501145     -0.257005
  H     -10.892332      1.694391     -0.605011
  H     -12.139701      2.103091      0.569402
  H     -10.054980      3.314204      0.836897
  H      -8.551235      4.751837      2.222594
  H      -6.649671      1.328998      7.532523
  H      -9.263013     -0.024150      3.443900
  N      -3.443278      1.999954      2.955509
  N      -3.016044      2.084917      1.910512
88
Coordinates from ORCA-job orca E -6723.645267635205
  N      -2.297102      0.655484      5.051114
  Mo     -4.030608      1.831617      4.880972
  N      -4.639886      1.681621      6.880561
  C      -3.891249      2.070076      8.049855
  C      -2.459206      2.246234      7.561101
  N      -2.396131      2.890355      6.199402
  C      -1.065884      2.597147      5.580062
  C      -0.943836      1.091136      5.314101
  C      -2.635874      4.360985      6.269656
  C      -4.085592      4.656157      5.970294
  N      -4.416221      3.877921      4.777933
  H      -0.279967      0.923549      4.442026
  H      -0.501024      0.541976      6.178297
  H      -1.039877      3.152123      4.627962
  H      -0.247577      2.966447      6.223912
  H      -4.735615      4.366860      6.801071
  H      -4.227451      5.719944      5.776100
  H      -2.312492      4.752818      7.249147
  H      -2.029844      4.824951      5.487442
  H      -3.910888      1.308929      8.848726
  H      -4.290462      3.006886      8.479604
  H      -2.004449      1.253074      7.471608
  H      -1.854672      2.837415      8.268560
  C      -7.695935      0.191292     -0.943429
  C      -6.832121      0.366249      0.283391
  O      -6.058094      1.317821      0.395778
  C      -6.913167     -0.663882      1.357994
  C      -7.904341     -1.657479      1.391612
  C      -7.981952     -2.537539      2.469666
  C      -7.038355     -2.452222      3.490866
  F      -7.152407     -3.309142      4.526212
  C      -5.993277     -1.506589      3.470659
  C      -4.842465     -1.582197      4.411192
  O      -4.487071     -2.653207      4.898944
  N      -4.121384     -0.414192      4.597260
  C      -2.798532     -0.534841      4.876306
  C      -5.971522     -0.608285      2.397526
  C      -6.918290     12.123008      0.179669
  C      -7.115602     10.664245      0.523559
  O      -8.164905     10.088448      0.225027
  C      -6.022278      9.940732      1.249557
  C      -4.831390     10.573691      1.635093
  C      -3.848861      9.856232      2.306901
  C      -4.066452      8.508659      2.605658
  F      -3.061100      7.853410      3.229319
  C      -5.243271      7.834864      2.247494
  C      -5.545938      6.382584      2.524965
  O      -6.385958      5.802131      1.831312
  N      -4.914837      5.857152      3.631511
  C      -4.818353      4.546825      3.688622
  C      -6.199421      8.581691      1.555307
  C     -11.526300      1.239023      0.198573
  C     -10.717953      0.641826      1.321286
  O     -10.839254     -0.547657      1.612951
  C      -9.769159      1.530095      2.049834
  C      -9.536086      2.867748      1.671419
  C      -8.696419      3.680328      2.418292
  C      -8.082119      3.140431      3.536382
  F      -7.396339      3.973724      4.338055
  C      -8.211426      1.792119      3.903085
  C      -7.579647      1.197842      5.123729
  O      -8.239002      0.466581      5.859768
  N      -6.271962      1.563049      5.421552
  C      -5.925315      1.496158      6.733803
  C      -9.099691      1.015941      3.160688
  H      -8.766370      0.211567     -0.677353
  H      -7.486548      0.998092     -1.617777
  H      -7.491720     -0.779660     -1.440479
  H      -8.648169     -1.726881      0.601863
  H      -8.773449     -3.281479      2.539342
  H      -2.254800     -1.486104      4.908704
  H      -5.180154      0.146975      2.336999
  H      -6.728705     12.706248      1.084480
  H      -6.055406     12.256530     -0.486723
  H      -7.808501     12.499233     -0.326640
  H      -4.659310     11.629768      1.407072
  H      -2.906515     10.318986      2.600409
  H      -5.064641      3.929494      2.813972
  H      -7.120349      8.078679      1.249264
  H     -12.180581      0.466766     -0.219609
  H     -10.864508      1.632495     -0.593470
  H     -12.133698      2.082265      0.560963
  H     -10.027334      3.289848      0.795120
  H      -8.504526      4.724545      2.159443
  H      -6.656943      1.338352      7.544965
  H      -9.278144     -0.017345      3.458474
  N      -3.468111      1.988152      2.952845
  N      -3.047989      2.062918      1.910674
88
Coordinates from ORCA-job orca E -6723.646099162929
  N      -2.297364      0.643324      5.068287
  Mo     -4.031784      1.829985      4.888636
  N      -4.643416      1.686294      6.887713
  C      -3.892371      2.078563      8.054517
  C      -2.454178      2.248796      7.567003
  N      -2.387041      2.885506      6.201420
  C      -1.057652      2.583011      5.592066
  C      -0.943852      1.077999      5.338018
  C      -2.621682      4.359523      6.260123
  C      -4.079068      4.658875      5.968336
  N      -4.414259      3.875828      4.783531
  H      -0.277321      0.903705      4.473679
  H      -0.506848      0.535276      6.205330
  H      -1.023166      3.127558      4.638847
  H      -0.241204      2.951183      6.238737
  H      -4.729609      4.369049      6.803039
  H      -4.222362      5.730762      5.769572
  H      -2.292230      4.752802      7.233832
  H      -2.016401      4.823693      5.470634
  H      -3.914005      1.321942      8.858332
  H      -4.290039      3.017693      8.475314
  H      -2.000490      1.253880      7.485776
  H      -1.847612      2.842570      8.271486
  C      -7.688909      0.210291     -0.940386
  C      -6.810148      0.374460      0.277848
  O      -6.018590      1.314018      0.366734
  C      -6.896793     -0.655048      1.357156
  C      -7.897687     -1.634211      1.400070
  C      -7.984066     -2.511219      2.479748
  C      -7.037616     -2.437881      3.491212
  F      -7.158042     -3.289418      4.528134
  C      -5.979033     -1.507832      3.461102
  C      -4.824318     -1.593775      4.400900
  O      -4.467540     -2.673257      4.876619
  N      -4.105595     -0.425683      4.592596
  C      -2.794422     -0.551129      4.889608
  C      -5.954123     -0.610969      2.389867
  C      -6.936483     12.104692      0.180667
  C      -7.128776     10.650895      0.525856
  O      -8.170947     10.070973      0.235212
  C      -6.031836      9.938504      1.250970
  C      -4.840931     10.576524      1.637675
  C      -3.851396      9.864993      2.306944
  C      -4.059642      8.518804      2.601597
  F      -3.056261      7.871643      3.227271
  C      -5.236507      7.839508      2.242201
  C      -5.535068      6.384031      2.516652
  O      -6.373144      5.801017      1.815972
  N      -4.909812      5.853111      3.630909
  C      -4.816683      4.540869      3.691498
  C      -6.200608      8.581770      1.552971
  C     -11.558665      1.249430      0.197868
  C     -10.741505      0.649491      1.314291
  O     -10.863863     -0.537055      1.611813
  C      -9.781367      1.527922      2.035920
  C      -9.542277      2.859676      1.652515
  C      -8.692813      3.666222      2.403596
  C      -8.075708      3.125387      3.525734
  F      -7.390605      3.957881      4.323826
  C      -8.209089      1.783810      3.893615
  C      -7.577754      1.190564      5.117884
  O      -8.242431      0.457057      5.853471
  N      -6.268746      1.560558      5.425280
  C      -5.927429      1.503739      6.738559
  C      -9.106156      1.010624      3.150230
  H      -8.758658      0.233596     -0.658282
  H      -7.481091      1.019843     -1.632722
  H      -7.499978     -0.756345     -1.432048
  H      -8.642981     -1.695624      0.614689
  H      -8.783118     -3.244404      2.555869
  H      -2.257416     -1.511764      4.934531
  H      -5.160066      0.133841      2.326432
  H      -6.738731     12.698122      1.087295
  H      -6.077963     12.233349     -0.496167
  H      -7.834038     12.471912     -0.315700
  H      -4.676607     11.631248      1.414144
  H      -2.913527     10.331906      2.603267
  H      -5.066129      3.919314      2.820759
  H      -7.114025      8.074863      1.242157
  H     -12.214361      0.482206     -0.210964
  H     -10.904915      1.640610     -0.598063
  H     -12.166952      2.096831      0.563357
  H     -10.034191      3.277292      0.777509
  H      -8.495002      4.709045      2.145009
  H      -6.661236      1.359743      7.545965
  H      -9.289691     -0.017467      3.448375
  N      -3.470786      1.985414      2.952474
  N      -3.051532      2.067479      1.905109
88
Coordinates from ORCA-job orca E -6723.646140248838
  N      -2.267905      0.662237      5.054671
  Mo     -4.015310      1.833819      4.881332
  N      -4.636958      1.665461      6.872799
  C      -3.898043      2.064488      8.041288
  C      -2.459751      2.251492      7.564912
  N      -2.384510      2.893793      6.208766
  C      -1.049034      2.606743      5.606539
  C      -0.925629      1.099962      5.336380
  C      -2.633278      4.368893      6.277171
  C      -4.100531      4.655693      5.980511
  N      -4.421104      3.878336      4.785390
  H      -0.252561      0.935113      4.479363
  H      -0.503185      0.556236      6.189190
  H      -1.007508      3.158745      4.665023
  H      -0.242846      2.976815      6.257740
  H      -4.760942      4.353275      6.802661
  H      -4.252837      5.729991      5.794544
  H      -2.313510      4.760623      7.253109
  H      -2.021253      4.847842      5.499371
  H      -3.921533      1.304821      8.840004
  H      -4.308650      2.997715      8.461217
  H      -1.998742      1.263989      7.482770
  H      -1.864687      2.848928      8.271846
  C      -7.673706      0.294963     -0.921292
  C      -6.772006      0.421004      0.280118
  O      -5.968002      1.345819      0.376921
  C      -6.865613     -0.613030      1.347686
  C      -7.883922     -1.580958      1.383575
  C      -7.978813     -2.460239      2.454214
  C      -7.029721     -2.399820      3.468190
  F      -7.164543     -3.248880      4.500918
  C      -5.967566     -1.478116      3.449136
  C      -4.822703     -1.567569      4.398453
  O      -4.473382     -2.641272      4.892569
  N      -4.090210     -0.398625      4.587647
  C      -2.766047     -0.524323      4.877232
  C      -5.927323     -0.581273      2.383824
  C      -6.875104     12.114092      0.160439
  C      -7.111962     10.655793      0.519983
  O      -8.165608     10.098406      0.229929
  C      -6.030017      9.922131      1.244626
  C      -4.817954     10.535642      1.611555
  C      -3.832545      9.808949      2.273519
  C      -4.063929      8.471286      2.579370
  F      -3.060880      7.810327      3.196081
  C      -5.263017      7.817099      2.242164
  C      -5.581044      6.371787      2.530448
  O      -6.437463      5.796114      1.845771
  N      -4.942147      5.850810      3.632776
  C      -4.829333      4.542818      3.691530
  C      -6.221643      8.573088      1.559265
  C     -11.594999      1.210064      0.208481
  C     -10.774420      0.602947      1.335559
  O     -10.906534     -0.583938      1.635050
  C      -9.808373      1.477699      2.065838
  C      -9.575016      2.814117      1.680929
  C      -8.722174      3.624420      2.416212
  C      -8.093295      3.077431      3.531788
  F      -7.401256      3.921422      4.311978
  C      -8.224899      1.733110      3.903596
  C      -7.587666      1.152197      5.121417
  O      -8.255477      0.412383      5.860231
  N      -6.277036      1.516334      5.425569
  C      -5.923502      1.466616      6.729456
  C      -9.125291      0.959213      3.173540
  H      -8.723323      0.364394     -0.620848
  H      -7.447034      1.105732     -1.633684
  H      -7.544512     -0.690600     -1.408639
  H      -8.641886     -1.629865      0.597140
  H      -8.798036     -3.182633      2.528434
  H      -2.220593     -1.473580      4.918747
  H      -5.135957      0.153602      2.335308
  H      -6.679610     12.725343      1.053781
  H      -5.992352     12.209225     -0.488136
  H      -7.760396     12.504966     -0.352992
  H      -4.635182     11.582980      1.377440
  H      -2.881660     10.258493      2.554568
  H      -5.053726      3.925396      2.811939
  H      -7.150223      8.085390      1.262408
  H     -12.263910      0.442766     -0.205161
  H     -10.946283      1.595059     -0.588407
  H     -12.189105      2.063134      0.572282
  H     -10.074520      3.233295      0.812042
  H      -8.528491      4.663596      2.156635
  H      -6.650540      1.316531      7.531653
  H      -9.307914     -0.072169      3.478062
  N      -3.448235      2.001352      2.953967
  N      -3.020397      2.092363      1.910004
88
Coordinates from ORCA-job orca E -6723.645634714825
  N      -2.273724      0.654319      5.061891
  Mo     -4.012032      1.838899      4.881321
  N      -4.635206      1.686048      6.870347
  C      -3.893895      2.077234      8.042368
  C      -2.457192      2.249885      7.560455
  N      -2.379576      2.894064      6.205146
  C      -1.047672      2.599469      5.594686
  C      -0.935151      1.093082      5.340038
  C      -2.617588      4.370463      6.276933
  C      -4.074977      4.666392      5.975898
  N      -4.402435      3.886998      4.782991
  H      -0.271106      0.918554      4.485706
  H      -0.509910      0.559480      6.197690
  H      -1.017219      3.149205      4.639838
  H      -0.228405      2.970064      6.238873
  H      -4.737556      4.371704      6.805019
  H      -4.212306      5.737876      5.786556
  H      -2.299660      4.762226      7.257993
  H      -2.001830      4.845255      5.500160
  H      -3.924659      1.314106      8.841400
  H      -4.293927      3.017817      8.470163
  H      -2.006336      1.254215      7.471971
  H      -1.857763      2.840258      8.270016
  C      -7.675898      0.255690     -0.949207
  C      -6.790398      0.382509      0.275371
  O      -5.996580      1.307836      0.379006
  C      -6.893940     -0.647910      1.351907
  C      -7.901346     -1.622913      1.382717
  C      -7.996009     -2.504447      2.458339
  C      -7.053963     -2.442154      3.477523
  F      -7.180887     -3.298178      4.506970
  C      -5.993586     -1.512424      3.463143
  C      -4.830152     -1.597330      4.412268
  O      -4.472606     -2.675533      4.900182
  N      -4.094919     -0.422754      4.596745
  C      -2.777536     -0.539536      4.890915
  C      -5.957814     -0.611499      2.394400
  C      -6.921509     12.086974      0.174654
  C      -7.139474     10.634449      0.531622
  O      -8.197794     10.074505      0.254382
  C      -6.051621      9.909195      1.251029
  C      -4.848006     10.533547      1.618902
  C      -3.860741      9.815512      2.279300
  C      -4.083201      8.474318      2.583015
  F      -3.058426      7.809833      3.185215
  C      -5.270585      7.810472      2.244694
  C      -5.557164      6.362093      2.526093
  O      -6.392271      5.759947      1.835130
  N      -4.919397      5.857492      3.629161
  C      -4.810634      4.549531      3.694305
  C      -6.231892      8.556341      1.562235
  C     -11.550175      1.256703      0.188219
  C     -10.736009      0.650964      1.306545
  O     -10.864034     -0.534579      1.597917
  C      -9.778538      1.524999      2.046167
  C      -9.544408      2.860937      1.676171
  C      -8.707247      3.677284      2.432222
  C      -8.088887      3.133671      3.553035
  F      -7.395134      3.970331      4.378532
  C      -8.215910      1.779762      3.910610
  C      -7.584752      1.185746      5.132082
  O      -8.250758      0.457306      5.874897
  N      -6.274339      1.546846      5.423797
  C      -5.921739      1.496641      6.726982
  C      -9.108211      1.009209      3.155910
  H      -8.738856      0.306251     -0.658394
  H      -7.452568      1.066662     -1.656191
  H      -7.518305     -0.708210     -1.442409
  H      -8.644097     -1.677878      0.589353
  H      -8.797340     -3.225508      2.526500
  H      -2.247907     -1.492652      4.944462
  H      -5.156555      0.131992      2.341425
  H      -6.704304     12.682507      1.079698
  H      -6.057507     12.196452     -0.495909
  H      -7.825001     12.475128     -0.326392
  H      -4.670569     11.583291      1.384735
  H      -2.902114     10.271698      2.554394
  H      -5.057389      3.926147      2.829096
  H      -7.150476      8.056238      1.264028
  H     -12.207987      0.489932     -0.233053
  H     -10.899832      1.656114     -0.608380
  H     -12.150257      2.094592      0.564070
  H     -10.041001      3.290129      0.796493
  H      -8.519433      4.718736      2.188042
  H      -6.649191      1.349669      7.536369
  H      -9.290803     -0.026197      3.450815
  N      -3.447932      1.993780      2.952493
  N      -3.022290      2.071943      1.907625
88
Coordinates from ORCA-job orca E -6723.645770404104
  N      -2.292577      0.649300      5.063660
  Mo     -4.023548      1.831302      4.888355
  N      -4.634773      1.690160      6.885734
  C      -3.883921      2.088476      8.051710
  C      -2.455985      2.254010      7.569188
  N      -2.387634      2.886342      6.204965
  C      -1.064387      2.584384      5.596642
  C      -0.947069      1.082026      5.333509
  C      -2.622467      4.356846      6.264872
  C      -4.077764      4.654795      5.974886
  N      -4.405347      3.873219      4.780266
  H      -0.280860      0.911907      4.461154
  H      -0.509133      0.533264      6.198369
  H      -1.027904      3.128937      4.646579
  H      -0.254234      2.950889      6.245754
  H      -4.737885      4.352901      6.814850
  H      -4.221589      5.733798      5.785587
  H      -2.297141      4.748620      7.240771
  H      -2.016786      4.821311      5.476073
  H      -3.905916      1.343292      8.854878
  H      -4.273725      3.024152      8.465791
  H      -2.009827      1.262747      7.487529
  H      -1.850169      2.845888      8.275871
  C      -7.708877      0.199359     -0.951462
  C      -6.820816      0.365513      0.271672
  O      -6.037708      1.305951      0.351681
  C      -6.906938     -0.665635      1.360745
  C      -7.898830     -1.657158      1.397433
  C      -7.979692     -2.537533      2.476626
  C      -7.032049     -2.453717      3.493622
  F      -7.143583     -3.308206      4.525866
  C      -5.985844     -1.511435      3.471147
  C      -4.832411     -1.592768      4.408724
  O      -4.475225     -2.664796      4.890085
  N      -4.108570     -0.425871      4.598281
  C      -2.793969     -0.547693      4.890235
  C      -5.966428     -0.612509      2.399667
  C      -6.931914     12.111964      0.185019
  C      -7.142512     10.653957      0.538753
  O      -8.193904     10.082385      0.257384
  C      -6.043700      9.930644      1.256428
  C      -4.846949     10.562331      1.631721
  C      -3.857182      9.845804      2.295075
  C      -4.067561      8.499887      2.593170
  F      -3.056957      7.845312      3.208292
  C      -5.246029      7.826513      2.243804
  C      -5.541050      6.373928      2.522301
  O      -6.378836      5.790619      1.827400
  N      -4.907597      5.850207      3.632272
  C      -4.810284      4.538296      3.690339
  C      -6.215786      8.572945      1.562369
  C     -11.531356      1.262556      0.177777
  C     -10.718100      0.657529      1.305866
  O     -10.840853     -0.533828      1.598167
  C      -9.767893      1.544963      2.038751
  C      -9.536388      2.879522      1.662351
  C      -8.697359      3.689604      2.412848
  C      -8.078855      3.146353      3.535863
  F      -7.393424      3.970057      4.349010
  C      -8.203324      1.798668      3.901288
  C      -7.570704      1.204370      5.122343
  O      -8.232926      0.481283      5.860810
  N      -6.259948      1.567456      5.421739
  C      -5.918609      1.507232      6.734463
  C      -9.093054      1.024758      3.155369
  H      -8.768878      0.213879     -0.666001
  H      -7.506464      1.011774     -1.658572
  H      -7.529143     -0.763800     -1.440194
  H      -8.643218     -1.725771      0.608081
  H      -8.776279     -3.280954      2.548171
  H      -2.261901     -1.506163      4.940072
  H      -5.177223      0.140418      2.340295
  H      -6.726996     12.712296      1.081503
  H      -6.069443     12.223263     -0.492071
  H      -7.826668     12.492893     -0.307987
  H      -4.679711     11.617627      1.404058
  H      -2.914816     10.307968      2.582390
  H      -5.063411      3.918698      2.817328
  H      -7.142788      8.069050      1.266377
  H     -12.187270      0.492027     -0.245436
  H     -10.875790      1.661333     -0.617304
  H     -12.133602      2.104730      0.542670
  H     -10.029000      3.299921      0.786915
  H      -8.509495      4.737798      2.157604
  H      -6.653418      1.360973      7.542190
  H      -9.270218     -0.007556      3.450658
  N      -3.467669      1.980425      2.948909
  N      -3.052295      2.061602      1.897489
88
Coordinates from ORCA-job orca E -6723.645257565113
  N      -2.288297      0.656914      5.059650
  Mo     -4.031726      1.829635      4.884132
  N      -4.644433      1.670317      6.884349
  C      -3.900812      2.065528      8.051316
  C      -2.457259      2.250873      7.564822
  N      -2.390650      2.891823      6.200846
  C      -1.056256      2.598216      5.591892
  C      -0.937821      1.093210      5.330509
  C      -2.634815      4.366531      6.263097
  C      -4.096683      4.661664      5.966941
  N      -4.429031      3.881148      4.783087
  H      -0.275864      0.921776      4.472686
  H      -0.504888      0.555909      6.190508
  H      -1.023074      3.147211      4.644585
  H      -0.242936      2.969781      6.238871
  H      -4.747623      4.374631      6.791525
  H      -4.247495      5.729098      5.766092
  H      -2.307118      4.759020      7.236982
  H      -2.028889      4.833691      5.479052
  H      -3.921545      1.303633      8.853678
  H      -4.311507      3.002549      8.473730
  H      -1.991982      1.258213      7.484547
  H      -1.854373      2.850481      8.265531
  C      -7.690958      0.232779     -0.912985
  C      -6.809289      0.388283      0.289772
  O      -6.019024      1.332524      0.390379
  C      -6.885966     -0.651134      1.354902
  C      -7.883083     -1.635104      1.386972
  C      -7.965451     -2.514774      2.458553
  C      -7.020255     -2.436047      3.477559
  F      -7.142687     -3.285628      4.511415
  C      -5.974274     -1.500098      3.460805
  C      -4.831802     -1.575886      4.412313
  O      -4.472023     -2.652707      4.907535
  N      -4.112381     -0.401643      4.597863
  C      -2.789973     -0.531140      4.882949
  C      -5.947020     -0.604161      2.392823
  C      -6.901832     12.128153      0.185312
  C      -7.114739     10.672693      0.538083
  O      -8.161924     10.108249      0.247974
  C      -6.018355      9.945185      1.252687
  C      -4.808425     10.564047      1.621839
  C      -3.818675      9.838548      2.279452
  C      -4.046922      8.499178      2.581027
  F      -3.052983      7.843571      3.201195
  C      -5.242145      7.839469      2.239774
  C      -5.562574      6.389605      2.521258
  O      -6.422442      5.818433      1.828535
  N      -4.932415      5.856861      3.630628
  C      -4.829331      4.545819      3.686796
  C      -6.202959      8.594535      1.560519
  C     -11.566928      1.216856      0.198217
  C     -10.754479      0.627446      1.323220
  O     -10.879434     -0.554498      1.627891
  C      -9.797612      1.508976      2.044400
  C      -9.562755      2.846298      1.664735
  C      -8.706379      3.649520      2.414286
  C      -8.083056      3.106028      3.528241
  F      -7.397105      3.947387      4.314959
  C      -8.215156      1.760843      3.894269
  C      -7.576268      1.171271      5.107281
  O      -8.232852      0.424669      5.834270
  N      -6.271311      1.542615      5.421872
  C      -5.929664      1.481674      6.734792
  C      -9.112678      0.981649      3.159109
  H      -8.756198      0.266200     -0.629925
  H      -7.479603      1.049133     -1.591143
  H      -7.511861     -0.743101     -1.407372
  H      -8.633092     -1.697251      0.598950
  H      -8.775652     -3.255576      2.531818
  H      -2.239905     -1.486566      4.914443
  H      -5.169316      0.145178      2.344404
  H      -6.703671     12.724229      1.082230
  H      -6.029115     12.244140     -0.487084
  H      -7.797997     12.507174     -0.312801
  H      -4.632388     11.613657      1.395179
  H      -2.873320     10.291239      2.565370
  H      -5.056462      3.927280      2.806171
  H      -7.132437      8.104750      1.262066
  H     -12.220749      0.446360     -0.209006
  H     -10.904603      1.600176     -0.588322
  H     -12.183031      2.065575      0.547045
  H     -10.059796      3.267322      0.794064
  H      -8.509231      4.694145      2.157112
  H      -6.663890      1.326144      7.539663
  H      -9.294112     -0.048447      3.456171
  N      -3.472414      1.995712      2.951944
  N      -3.050828      2.080146      1.906547
88
Coordinates from ORCA-job orca E -6723.645978839757
  N      -2.269156      0.648859      5.052986
  Mo     -4.014073      1.835770      4.880475
  N      -4.641616      1.672631      6.870384
  C      -3.900633      2.063721      8.042343
  C      -2.461551      2.241873      7.564308
  N      -2.382443      2.889191      6.209418
  C      -1.044444      2.596998      5.601290
  C      -0.925341      1.085646      5.334875
  C      -2.626048      4.368564      6.281819
  C      -4.085935      4.660970      5.979538
  N      -4.413421      3.881353      4.787520
  H      -0.249737      0.918783      4.477120
  H      -0.502813      0.538877      6.188994
  H      -1.005071      3.153705      4.653009
  H      -0.230408      2.963042      6.249663
  H      -4.739979      4.370912      6.802354
  H      -4.227038      5.727436      5.788320
  H      -2.307725      4.764372      7.260586
  H      -2.010280      4.844236      5.504392
  H      -3.928779      1.299071      8.839488
  H      -4.304824      3.001434      8.468467
  H      -2.005524      1.248042      7.476880
  H      -1.865929      2.834594      8.275855
  C      -7.676295      0.267545     -0.929599
  C      -6.781676      0.408720      0.283308
  O      -5.978833      1.334634      0.375769
  C      -6.878147     -0.618626      1.357134
  C      -7.896404     -1.586181      1.400519
  C      -7.988338     -2.463237      2.473913
  C      -7.036595     -2.404205      3.480080
  F      -7.168385     -3.253634      4.517126
  C      -5.967285     -1.484722      3.449933
  C      -4.808640     -1.580759      4.387826
  O      -4.455745     -2.658272      4.866841
  N      -4.078817     -0.415387      4.578401
  C      -2.759532     -0.539502      4.872770
  C      -5.934672     -0.586662      2.386517
  C      -6.898521     12.102375      0.154479
  C      -7.113475     10.647440      0.503057
  O      -8.160195     10.075753      0.206012
  C      -6.033423      9.926440      1.239924
  C      -4.838049     10.555310      1.626166
  C      -3.855090      9.838111      2.300669
  C      -4.074223      8.494334      2.600566
  F      -3.068314      7.839724      3.227031
  C      -5.260035      7.825047      2.245519
  C      -5.564328      6.373759      2.527831
  O      -6.405753      5.789902      1.837069
  N      -4.930704      5.852938      3.633803
  C      -4.824516      4.544627      3.697283
  C      -6.215096      8.571757      1.549918
  C     -11.588880      1.232420      0.204270
  C     -10.770076      0.621881      1.327406
  O     -10.902594     -0.561266      1.627545
  C      -9.800412      1.488671      2.055949
  C      -9.559920      2.820858      1.667118
  C      -8.711023      3.635505      2.405599
  C      -8.089899      3.089309      3.530262
  F      -7.399454      3.929430      4.320346
  C      -8.226472      1.747496      3.902439
  C      -7.593573      1.158579      5.129849
  O      -8.264618      0.421690      5.872468
  N      -6.282263      1.522664      5.429178
  C      -5.926948      1.478345      6.729612
  C      -9.128944      0.980734      3.161825
  H      -8.729835      0.335243     -0.637132
  H      -7.450345      1.069121     -1.647579
  H      -7.537208     -0.718188     -1.411067
  H      -8.652269     -1.637483      0.617965
  H      -8.799128     -3.182111      2.551701
  H      -2.223159     -1.493924      4.923276
  H      -5.137004      0.146846      2.328779
  H      -6.707926     12.705933      1.058892
  H      -6.026441     12.214509     -0.495604
  H      -7.785119     12.480846     -0.359925
  H      -4.663697     11.607430      1.396158
  H      -2.910734     10.298747      2.594042
  H      -5.061308      3.923386      2.825525
  H      -7.125157      8.070852      1.237028
  H     -12.259015      0.467741     -0.208496
  H     -10.943568      1.615988     -0.597130
  H     -12.176433      2.087357      0.573281
  H     -10.052492      3.237220      0.792868
  H      -8.513137      4.672966      2.145842
  H      -6.652043      1.337542      7.534751
  H      -9.316117     -0.050317      3.467714
  N      -3.443124      1.999036      2.953425
  N      -3.016139      2.087449      1.911303
88
Coordinates from ORCA-job orca E -6723.645317802681
  N      -2.281588      0.671941      5.056435
  Mo     -4.019473      1.840615      4.881692
  N      -4.628294      1.684903      6.876007
  C      -3.880757      2.076422      8.044707
  C      -2.451831      2.253009      7.561888
  N      -2.384801      2.894972      6.203374
  C      -1.058729      2.606708      5.591761
  C      -0.941379      1.111467      5.331300
  C      -2.628704      4.364134      6.273786
  C      -4.092861      4.654123      5.987028
  N      -4.409624      3.880486      4.784334
  H      -0.283194      0.943100      4.471264
  H      -0.507524      0.577770      6.190557
  H      -1.032006      3.154571      4.639907
  H      -0.243618      2.976580      6.237548
  H      -4.763652      4.335547      6.822287
  H      -4.241789      5.739491      5.810732
  H      -2.307850      4.747041      7.251706
  H      -2.020418      4.846074      5.491439
  H      -3.901304      1.320306      8.843120
  H      -4.279065      3.008030      8.469416
  H      -2.000840      1.266663      7.474478
  H      -1.849607      2.841668      8.270633
  C      -7.685582      0.254601     -0.951758
  C      -6.797271      0.381124      0.266796
  O      -6.004043      1.307253      0.368413
  C      -6.893774     -0.651020      1.342662
  C      -7.901995     -1.626551      1.376930
  C      -7.993520     -2.508190      2.455801
  C      -7.050543     -2.441828      3.477507
  F      -7.173389     -3.298394      4.507166
  C      -5.996879     -1.510483      3.462637
  C      -4.849457     -1.589405      4.415154
  O      -4.498724     -2.660067      4.912447
  N      -4.111768     -0.411203      4.599117
  C      -2.792021     -0.524455      4.887390
  C      -5.958875     -0.611967      2.386731
  C      -6.899124     12.098154      0.173513
  C      -7.130610     10.639115      0.531504
  O      -8.185530     10.081189      0.244663
  C      -6.040084      9.912012      1.253269
  C      -4.838421     10.536176      1.626776
  C      -3.853608      9.820372      2.291357
  C      -4.073355      8.481010      2.592063
  F      -3.055173      7.823273      3.202264
  C      -5.255241      7.816128      2.245440
  C      -5.549529      6.369802      2.525266
  O      -6.388602      5.775924      1.831405
  N      -4.914797      5.857555      3.631194
  C      -4.807128      4.549119      3.690285
  C      -6.218358      8.561262      1.561263
  C     -11.551875      1.234029      0.197566
  C     -10.735146      0.629390      1.318731
  O     -10.864439     -0.566408      1.610386
  C      -9.777265      1.512552      2.057256
  C      -9.543491      2.845117      1.678898
  C      -8.701449      3.658820      2.422522
  C      -8.081510      3.122849      3.540286
  F      -7.390236      3.964282      4.349047
  C      -8.209303      1.774851      3.908800
  C      -7.578223      1.192341      5.127230
  O      -8.247996      0.467720      5.869020
  N      -6.265531      1.556591      5.422975
  C      -5.915039      1.495302      6.730319
  C      -9.101707      0.998957      3.168831
  H      -8.750032      0.299310     -0.655345
  H      -7.464432      1.069217     -1.653059
  H      -7.526341     -0.708334     -1.450556
  H      -8.650618     -1.682061      0.583666
  H      -8.793692     -3.234422      2.524149
  H      -2.255609     -1.472580      4.932867
  H      -5.159332      0.133344      2.331183
  H      -6.690018     12.702371      1.073281
  H      -6.024464     12.199440     -0.487679
  H      -7.794667     12.490584     -0.332522
  H      -4.663434     11.584665      1.395451
  H      -2.901742     10.277549      2.573798
  H      -5.047593      3.931728      2.814047
  H      -7.147500      8.062531      1.264698
  H     -12.210475      0.464629     -0.219362
  H     -10.898731      1.633439     -0.601026
  H     -12.156235      2.075143      0.570687
  H     -10.043367      3.270840      0.799587
  H      -8.512988      4.694509      2.170321
  H      -6.643213      1.343219      7.536832
  H      -9.281054     -0.032051      3.469069
  N      -3.467154      2.002423      2.948217
  N      -3.048121      2.091803      1.896606
88
Coordinates from ORCA-job orca E -6723.646108682578
  N      -2.282146      0.645618      5.067595
  Mo     -4.013826      1.831599      4.882735
  N      -4.638169      1.690766      6.874912
  C      -3.897679      2.091689      8.043491
  C      -2.458718      2.261298      7.563543
  N      -2.380573      2.891059      6.202488
  C      -1.053399      2.586429      5.603633
  C      -0.938661      1.076371      5.340902
  C      -2.612203      4.363909      6.259549
  C      -4.065626      4.664850      5.957377
  N      -4.397392      3.881468      4.770756
  H      -0.266747      0.902999      4.473773
  H      -0.511562      0.528227      6.201517
  H      -1.007158      3.127776      4.659825
  H      -0.248242      2.956243      6.255451
  H      -4.725429      4.376866      6.788985
  H      -4.205027      5.735802      5.759209
  H      -2.289649      4.759775      7.236047
  H      -2.000617      4.823336      5.477870
  H      -3.929138      1.336851      8.848440
  H      -4.298386      3.035346      8.459817
  H      -2.007541      1.265283      7.486513
  H      -1.856604      2.859066      8.266957
  C      -7.695605      0.218560     -0.938523
  C      -6.803631      0.365993      0.276133
  O      -6.013517      1.301657      0.361790
  C      -6.897665     -0.662914      1.362362
  C      -7.895331     -1.646504      1.396471
  C      -7.985925     -2.523469      2.474445
  C      -7.042850     -2.444853      3.494038
  F      -7.164751     -3.293997      4.525048
  C      -5.991219     -1.508282      3.476718
  C      -4.834828     -1.587966      4.424560
  O      -4.477967     -2.663317      4.918909
  N      -4.106560     -0.419459      4.606427
  C      -2.790073     -0.546680      4.900619
  C      -5.960400     -0.613593      2.403877
  C      -6.941175     12.113239      0.208635
  C      -7.151831     10.657238      0.563976
  O      -8.209776     10.094680      0.292995
  C      -6.054659      9.927111      1.267994
  C      -4.843957     10.548226      1.624646
  C      -3.847721      9.822965      2.270227
  C      -4.067629      8.479117      2.569884
  F      -3.048366      7.812851      3.164963
  C      -5.260341      7.817814      2.240870
  C      -5.554277      6.366697      2.520180
  O      -6.398472      5.776290      1.830609
  N      -4.915046      5.853230      3.622297
  C      -4.807160      4.542774      3.682609
  C      -6.232530      8.571664      1.574755
  C     -11.532779      1.254547      0.164709
  C     -10.728960      0.655880      1.300113
  O     -10.859706     -0.526281      1.600109
  C      -9.778409      1.542488      2.031448
  C      -9.543764      2.879353      1.657824
  C      -8.700964      3.687153      2.414433
  C      -8.082525      3.141413      3.535821
  F      -7.389666      3.967752      4.353042
  C      -8.210592      1.789619      3.898983
  C      -7.575819      1.196378      5.116049
  O      -8.232347      0.466971      5.854420
  N      -6.268963      1.559426      5.413933
  C      -5.924295      1.504830      6.725175
  C      -9.101810      1.013596      3.152945
  H      -8.753144      0.254706     -0.649068
  H      -7.481902      1.029788     -1.647646
  H      -7.534723     -0.747848     -1.423609
  H      -8.636832     -1.711270      0.604815
  H      -8.792775     -3.258069      2.546911
  H      -2.256915     -1.505063      4.954405
  H      -5.167549      0.133402      2.348533
  H      -6.729406     12.707701      1.107120
  H      -6.076890     12.226762     -0.471944
  H      -7.844516     12.498586     -0.281356
  H      -4.669213     11.601000      1.394790
  H      -2.892059     10.276617      2.540889
  H      -5.051466      3.921593      2.814294
  H      -7.162149      8.076381      1.287549
  H     -12.189648      0.487154     -0.256467
  H     -10.873409      1.641470     -0.627145
  H     -12.132293      2.099824      0.519679
  H     -10.035744      3.301102      0.783820
  H      -8.510665      4.738921      2.161271
  H      -6.658727      1.355245      7.534532
  H      -9.284510     -0.019396      3.448264
  N      -3.449744      1.973189      2.949089
  N      -3.027697      2.043200      1.902801
88
Coordinates from ORCA-job orca E -6723.645696237494
  N      -2.282853      0.652550      5.050149
  Mo     -4.032986      1.830114      4.885967
  N      -4.641667      1.662291      6.883714
  C      -3.891778      2.051999      8.049730
  C      -2.456058      2.233621      7.564412
  N      -2.391747      2.887795      6.207313
  C      -1.054682      2.602014      5.586085
  C      -0.935396      1.096274      5.323903
  C      -2.641854      4.367760      6.284392
  C      -4.107658      4.657552      5.991864
  N      -4.436271      3.878303      4.798810
  H      -0.277362      0.929841      4.469958
  H      -0.498689      0.561082      6.179556
  H      -1.033587      3.162929      4.630671
  H      -0.228723      2.970841      6.227697
  H      -4.759414      4.360782      6.818110
  H      -4.257476      5.729791      5.802916
  H      -2.317470      4.759983      7.262952
  H      -2.033967      4.848846      5.502671
  H      -3.911239      1.296134      8.845074
  H      -4.289369      2.982172      8.472527
  H      -1.997061      1.241751      7.472021
  H      -1.853543      2.824382      8.272519
  C      -7.695981      0.228771     -0.931379
  C      -6.816503      0.394161      0.288112
  O      -6.030420      1.336572      0.386960
  C      -6.895442     -0.638544      1.361131
  C      -7.890945     -1.625542      1.395676
  C      -7.968262     -2.506954      2.468279
  C      -7.014024     -2.431574      3.478846
  F      -7.130619     -3.287028      4.514753
  C      -5.961753     -1.494218      3.453488
  C      -4.803958     -1.579935      4.387471
  O      -4.440426     -2.656697      4.859182
  N      -4.088583     -0.414261      4.580732
  C      -2.770559     -0.538082      4.865122
  C      -5.949624     -0.591730      2.394520
  C      -6.887817     12.112467      0.143879
  C      -7.098858     10.658753      0.494019
  O      -8.143175     10.085783      0.194860
  C      -6.013069      9.938814      1.233287
  C      -4.817655     10.568378      1.624842
  C      -3.839127      9.851691      2.307342
  C      -4.063620      8.509161      2.611086
  F      -3.075124      7.859196      3.252547
  C      -5.246458      7.838620      2.248916
  C      -5.559851      6.389200      2.532955
  O      -6.402121      5.816379      1.833120
  N      -4.935461      5.856859      3.650303
  C      -4.838969      4.546148      3.706940
  C      -6.196395      8.584879      1.544809
  C     -11.572554      1.234292      0.208294
  C     -10.754095      0.634397      1.327466
  O     -10.876630     -0.547173      1.626300
  C      -9.792890      1.506643      2.052681
  C      -9.560304      2.844219      1.672902
  C      -8.714122      3.657734      2.418322
  C      -8.090567      3.109474      3.537762
  F      -7.410809      3.948356      4.329894
  C      -8.216716      1.761865      3.900183
  C      -7.579233      1.163402      5.119127
  O      -8.241833      0.418134      5.850282
  N      -6.270690      1.533098      5.430624
  C      -5.924865      1.474674      6.737363
  C      -9.114194      0.990071      3.156921
  H      -8.756466      0.268982     -0.652356
  H      -7.481769      1.036298     -1.628813
  H      -7.522957     -0.753829     -1.418337
  H      -8.642496     -1.689533      0.610497
  H      -8.770188     -3.245491      2.543093
  H      -2.226986     -1.494045      4.901491
  H      -5.174424      0.158851      2.344940
  H      -6.696889     12.710621      1.045815
  H      -6.018794     12.229581     -0.515706
  H      -7.774986     12.487216     -0.367548
  H      -4.643810     11.620604      1.395883
  H      -2.902829     10.312388      2.609856
  H      -5.077990      3.928256      2.828847
  H      -7.109461      8.084273      1.229750
  H     -12.233364      0.461412     -0.206806
  H     -10.916593      1.625458     -0.584296
  H     -12.177488      2.081799      0.570804
  H     -10.056877      3.268073      0.798816
  H      -8.521615      4.701064      2.165641
  H      -6.654807      1.325455      7.541320
  H      -9.292917     -0.044649      3.452891
  N      -3.478814      2.006349      2.953515
  N      -3.062656      2.101424      1.907202
88
Coordinates from ORCA-job orca E -6723.645897257382
  N      -2.280464      0.662305      5.054930
  Mo     -4.017099      1.841667      4.879396
  N      -4.640223      1.687118      6.875032
  C      -3.899093      2.078428      8.049326
  C      -2.462071      2.254317      7.568777
  N      -2.385648      2.892852      6.204948
  C      -1.054181      2.594856      5.600531
  C      -0.935302      1.091422      5.333423
  C      -2.624984      4.364798      6.266344
  C      -4.079207      4.661855      5.965413
  N      -4.406481      3.882931      4.775822
  H      -0.259423      0.924133      4.466779
  H      -0.509682      0.540457      6.192725
  H      -1.011496      3.144674      4.653977
  H      -0.247112      2.957940      6.251449
  H      -4.733743      4.374717      6.791823
  H      -4.219886      5.727133      5.768013
  H      -2.303749      4.757836      7.241151
  H      -2.013093      4.830051      5.483064
  H      -3.923336      1.311420      8.852268
  H      -4.307788      3.018784      8.477053
  H      -2.005680      1.261907      7.487500
  H      -1.864750      2.848135      8.278822
  C      -7.685211      0.252155     -0.916648
  C      -6.784916      0.390589      0.284727
  O      -5.977764      1.313371      0.367564
  C      -6.880039     -0.644763      1.352830
  C      -7.899787     -1.613721      1.397844
  C      -7.990373     -2.490823      2.471001
  C      -7.045567     -2.424970      3.483793
  F      -7.175501     -3.271709      4.519993
  C      -5.984202     -1.502706      3.457443
  C      -4.840082     -1.584856      4.407995
  O      -4.488814     -2.657325      4.910233
  N      -4.101046     -0.405550      4.588252
  C      -2.778450     -0.527258      4.882817
  C      -5.941835     -0.610064      2.383863
  C      -6.905272     12.120529      0.192196
  C      -7.125894     10.661585      0.539182
  O      -8.172362     10.094537      0.245060
  C      -6.035575      9.935575      1.257922
  C      -4.837249     10.560565      1.633949
  C      -3.846686      9.839554      2.290864
  C      -4.058790      8.496253      2.582296
  F      -3.044274      7.841418      3.191439
  C      -5.248659      7.830068      2.237306
  C      -5.554211      6.375444      2.512107
  O      -6.401926      5.792036      1.822484
  N      -4.919967      5.852992      3.616710
  C      -4.810642      4.544044      3.678999
  C      -6.215163      8.581673      1.561575
  C     -11.574499      1.222784      0.192518
  C     -10.758583      0.619621      1.319311
  O     -10.890624     -0.572306      1.621326
  C      -9.793084      1.492619      2.051055
  C      -9.550798      2.821381      1.659811
  C      -8.696043      3.631502      2.395877
  C      -8.076172      3.093373      3.517906
  F      -7.384740      3.936323      4.302475
  C      -8.218388      1.757203      3.896350
  C      -7.585835      1.175599      5.123133
  O      -8.257299      0.443095      5.861556
  N      -6.274810      1.543172      5.424347
  C      -5.925887      1.492711      6.730643
  C      -9.121821      0.988301      3.160479
  H      -8.748175      0.303654     -0.618633
  H      -7.466573      1.062698     -1.620164
  H      -7.535068     -0.723309     -1.405206
  H      -8.653406     -1.666677      0.612748
  H      -8.795160     -3.216804      2.543676
  H      -2.242367     -1.479671      4.935040
  H      -5.136337      0.125428      2.320281
  H      -6.708156     12.725752      1.091622
  H      -6.029602     12.226981     -0.467107
  H      -7.796269     12.505044     -0.308657
  H      -4.666638     11.612256      1.409768
  H      -2.901312     10.297671      2.576495
  H      -5.038680      3.921823      2.799264
  H      -7.140437      8.085153      1.261527
  H     -12.236643      0.457712     -0.214532
  H     -10.922476      1.604868     -0.604356
  H     -12.175498      2.077860      0.552307
  H     -10.044521      3.235158      0.783433
  H      -8.494194      4.662792      2.131501
  H      -6.655568      1.348643      7.535101
  H      -9.308180     -0.038209      3.468865
  N      -3.451714      1.995105      2.947552
  N      -3.030027      2.082135      1.899753
88
Coordinates from ORCA-job orca E -6723.646176519496
  N      -2.279088      0.653223      5.060200
  Mo     -4.013307      1.837266      4.879268
  N      -4.635008      1.691288      6.870551
  C      -3.891506      2.086998      8.038835
  C      -2.454905      2.257943      7.558218
  N      -2.378186      2.893052      6.201539
  C      -1.050194      2.594748      5.599210
  C      -0.935843      1.087555      5.335670
  C      -2.614052      4.366626      6.266826
  C      -4.073588      4.662796      5.969502
  N      -4.397265      3.884459      4.774802
  H      -0.266741      0.915431      4.472673
  H      -0.510455      0.544222      6.194011
  H      -1.007733      3.138227      4.655125
  H      -0.243037      2.964832      6.249593
  H      -4.740801      4.359810      6.800683
  H      -4.215671      5.741100      5.783238
  H      -2.295093      4.756864      7.245503
  H      -1.999741      4.839665      5.487694
  H      -3.921604      1.328848      8.839717
  H      -4.290855      3.027095      8.460474
  H      -2.005916      1.265331      7.476140
  H      -1.852380      2.851776      8.263729
  C      -7.677186      0.239474     -0.954394
  C      -6.794832      0.377532      0.264928
  O      -6.003775      1.312341      0.366309
  C      -6.891892     -0.644742      1.350847
  C      -7.900714     -1.615800      1.390126
  C      -7.996935     -2.489779      2.472901
  C      -7.053632     -2.422326      3.490899
  F      -7.183745     -3.270235      4.526835
  C      -5.996256     -1.497365      3.470435
  C      -4.847377     -1.585256      4.418839
  O      -4.504009     -2.658879      4.912744
  N      -4.112454     -0.417706      4.602373
  C      -2.792372     -0.540329      4.893561
  C      -5.956618     -0.603896      2.393575
  C      -6.924810     12.106586      0.200305
  C      -7.142863     10.648786      0.553471
  O      -8.201000     10.088988      0.274606
  C      -6.049165      9.919696      1.264440
  C      -4.842667     10.542420      1.630319
  C      -3.850761      9.821843      2.283605
  C      -4.072303      8.480025      2.582476
  F      -3.054161      7.816149      3.184444
  C      -5.258902      7.817298      2.243427
  C      -5.551570      6.369203      2.523051
  O      -6.393426      5.774052      1.832933
  N      -4.912668      5.857957      3.622155
  C      -4.803198      4.549933      3.685621
  C      -6.225126      8.565909      1.568300
  C     -11.550226      1.230539      0.184898
  C     -10.740090      0.628301      1.314470
  O     -10.874190     -0.557328      1.617853
  C      -9.780795      1.512774      2.040777
  C      -9.539286      2.841986      1.652184
  C      -8.693609      3.652298      2.400470
  C      -8.080313      3.119076      3.527369
  F      -7.385022      3.957394      4.340296
  C      -8.215269      1.774695      3.903886
  C      -7.586110      1.194744      5.127790
  O      -8.252419      0.470791      5.876090
  N      -6.276292      1.557408      5.420937
  C      -5.922537      1.504253      6.727048
  C      -9.108183      0.995768      3.165668
  H      -8.732012      0.300516     -0.664657
  H      -7.448235      1.040864     -1.667783
  H      -7.528837     -0.734783     -1.439504
  H      -8.652217     -1.672076      0.600641
  H      -8.811788     -3.209660      2.551432
  H      -2.255891     -1.494598      4.943589
  H      -5.160123      0.134940      2.337176
  H      -6.716349     12.702780      1.103094
  H      -6.057059     12.218777     -0.465611
  H      -7.823359     12.495398     -0.300671
  H      -4.667988     11.593529      1.401339
  H      -2.892581     10.277428      2.558648
  H      -5.047783      3.930651      2.819805
  H      -7.148413      8.068257      1.272287
  H     -12.212788      0.466391     -0.224739
  H     -10.899877      1.613288     -0.619472
  H     -12.142238      2.080843      0.548728
  H     -10.029393      3.255851      0.774279
  H      -8.500069      4.695196      2.140001
  H      -6.649604      1.358334      7.537195
  H      -9.296155     -0.031715      3.472541
  N      -3.450389      1.985244      2.947795
  N      -3.025450      2.060627      1.901250
88
Coordinates from ORCA-job orca E -6723.645728895172
  N      -2.275518      0.656890      5.059924
  Mo     -4.021156      1.827267      4.884309
  N      -4.636442      1.663845      6.877490
  C      -3.894063      2.058084      8.045647
  C      -2.457720      2.241504      7.565602
  N      -2.389093      2.887625      6.208390
  C      -1.055784      2.601126      5.595640
  C      -0.934263      1.098840      5.332131
  C      -2.635823      4.359617      6.279660
  C      -4.095781      4.651272      5.985217
  N      -4.423625      3.874344      4.791467
  H      -0.274781      0.934649      4.471702
  H      -0.496995      0.561843      6.187343
  H      -1.030167      3.156900      4.642875
  H      -0.236731      2.971975      6.241131
  H      -4.753089      4.353161      6.814509
  H      -4.242855      5.723488      5.796204
  H      -2.312541      4.749236      7.257584
  H      -2.030256      4.833469      5.498521
  H      -3.917645      1.302415      8.842433
  H      -4.296440      2.990482      8.466385
  H      -1.998316      1.251919      7.479768
  H      -1.859146      2.835506      8.272732
  C      -7.711535      0.237250     -0.922966
  C      -6.814410      0.381172      0.293963
  O      -6.026599      1.310038      0.381808
  C      -6.902083     -0.657681      1.367203
  C      -7.895231     -1.650918      1.397053
  C      -7.975712     -2.537105      2.468384
  C      -7.026410     -2.458444      3.484271
  F      -7.133961     -3.319169      4.505722
  C      -5.975445     -1.511216      3.467620
  C      -4.805199     -1.584392      4.409517
  O      -4.427920     -2.661109      4.890711
  N      -4.086252     -0.412334      4.596187
  C      -2.772407     -0.535511      4.882545
  C      -5.958771     -0.607410      2.404222
  C      -6.909233     12.099421      0.151816
  C      -7.125073     10.646351      0.511346
  O      -8.174169     10.078319      0.228416
  C      -6.037856      9.924996      1.240739
  C      -4.832317     10.551392      1.613583
  C      -3.848099      9.833070      2.284128
  C      -4.071353      8.490901      2.591252
  F      -3.062712      7.833668      3.210636
  C      -5.256222      7.824476      2.245771
  C      -5.555228      6.375659      2.531403
  O      -6.393519      5.791033      1.835908
  N      -4.926143      5.855390      3.648342
  C      -4.823580      4.542873      3.700253
  C      -6.218399      8.572488      1.556089
  C     -11.540496      1.265674      0.173033
  C     -10.737843      0.662551      1.309752
  O     -10.873364     -0.519582      1.600760
  C      -9.784646      1.544411      2.053296
  C      -9.558674      2.889374      1.694666
  C      -8.720880      3.699838      2.446942
  C      -8.092340      3.140143      3.556222
  F      -7.408401      3.966580      4.362123
  C      -8.208658      1.779938      3.903403
  C      -7.567876      1.174585      5.105932
  O      -8.223104      0.433921      5.830197
  N      -6.260130      1.537573      5.414535
  C      -5.920046      1.475512      6.724570
  C      -9.100850      1.010109      3.155766
  H      -8.780781      0.256138     -0.633005
  H      -7.507878      1.063214     -1.619875
  H      -7.534509     -0.724208     -1.418313
  H      -8.633690     -1.718768      0.604489
  H      -8.765078     -3.282383      2.533236
  H      -2.236569     -1.490606      4.924673
  H      -5.170442      0.149696      2.350831
  H      -6.705344     12.701186      1.051697
  H      -6.038854     12.210640     -0.521387
  H      -7.806471     12.477048     -0.350151
  H      -4.655082     11.602027      1.378829
  H      -2.902913     10.290785      2.571227
  H      -5.061872      3.926619      2.819553
  H      -7.144501      8.073752      1.258295
  H     -12.200884      0.490188     -0.267264
  H     -10.874191      1.664961     -0.608211
  H     -12.142906      2.106771      0.532280
  H     -10.060508      3.327211      0.825227
  H      -8.537159      4.750434      2.206535
  H      -6.655676      1.321611      7.526074
  H      -9.273861     -0.030107      3.438798
  N      -3.467414      1.996074      2.950528
  N      -3.052367      2.088245      1.901584
88
Coordinates from ORCA-job orca E -6723.645645936537
  N      -2.291560      0.660615      5.051728
  Mo     -4.029348      1.840903      4.881175
  N      -4.639318      1.688072      6.880113
  C      -3.891584      2.079470      8.049854
  C      -2.458559      2.252782      7.565000
  N      -2.390039      2.896546      6.201630
  C      -1.059987      2.600019      5.591623
  C      -0.944876      1.095309      5.329933
  C      -2.631911      4.373344      6.264630
  C      -4.094197      4.667296      5.968663
  N      -4.420812      3.883807      4.777913
  H      -0.277864      0.927071      4.469500
  H      -0.512410      0.550083      6.190276
  H      -1.025296      3.151986      4.640885
  H      -0.243170      2.964544      6.238945
  H      -4.748350      4.373605      6.797328
  H      -4.241623      5.741402      5.775570
  H      -2.306844      4.769305      7.239027
  H      -2.022497      4.842475      5.480895
  H      -3.912260      1.322419      8.851924
  H      -4.290410      3.015238      8.472422
  H      -2.004000      1.258215      7.477077
  H      -1.855315      2.842769      8.274141
  C      -7.691772      0.221928     -0.926024
  C      -6.799028      0.376759      0.280093
  O      -5.999922      1.314509      0.365527
  C      -6.889692     -0.653666      1.356831
  C      -7.892386     -1.633254      1.391258
  C      -7.976495     -2.509807      2.463083
  C      -7.025796     -2.434831      3.478567
  F      -7.151850     -3.282167      4.517307
  C      -5.972051     -1.503415      3.456621
  C      -4.826168     -1.583260      4.402630
  O      -4.474392     -2.654015      4.901781
  N      -4.099571     -0.409597      4.584611
  C      -2.781415     -0.530228      4.880464
  C      -5.947918     -0.608866      2.392705
  C      -6.886960     12.139514      0.193883
  C      -7.106133     10.679576      0.534740
  O      -8.157584     10.116472      0.235729
  C      -6.016080      9.944445      1.254203
  C      -4.818164     10.564701      1.636229
  C      -3.832725      9.838153      2.297906
  C      -4.051811      8.494181      2.589205
  F      -3.052747      7.834731      3.208673
  C      -5.246727      7.831614      2.239966
  C      -5.564573      6.380172      2.516784
  O      -6.413447      5.807342      1.820356
  N      -4.933612      5.853673      3.626863
  C      -4.829582      4.544941      3.685750
  C      -6.205369      8.588406      1.557992
  C     -11.573827      1.211144      0.212530
  C     -10.749507      0.619327      1.323509
  O     -10.859991     -0.567012      1.626052
  C      -9.794312      1.495125      2.041675
  C      -9.559855      2.828929      1.655732
  C      -8.709532      3.649139      2.393273
  C      -8.085486      3.106808      3.517007
  F      -7.397488      3.946957      4.309656
  C      -8.218336      1.762003      3.890445
  C      -7.579977      1.170623      5.122140
  O      -8.241083      0.426337      5.859129
  N      -6.272829      1.551932      5.424760
  C      -5.925221      1.495622      6.734963
  C      -9.119709      0.990718      3.146226
  H      -8.742118      0.277623     -0.636382
  H      -7.469623      1.021750     -1.634243
  H      -7.548968     -0.758811     -1.405867
  H      -8.642466     -1.693758      0.604300
  H      -8.782433     -3.243129      2.533740
  H      -2.242778     -1.483616      4.938146
  H      -5.163533      0.134061      2.342770
  H      -6.693308     12.733415      1.093908
  H      -6.014246     12.250048     -0.462183
  H      -7.773338     12.530749     -0.310877
  H      -4.645289     11.617938      1.414200
  H      -2.896247     10.292192      2.592431
  H      -5.062316      3.924651      2.805478
  H      -7.132796      8.095971      1.255784
  H     -12.227220      0.443540     -0.182506
  H     -10.919619      1.592651     -0.582165
  H     -12.189319      2.060132      0.567360
  H     -10.057595      3.249116      0.773962
  H      -8.511327      4.686384      2.132295
  H      -6.656865      1.338527      7.543863
  H      -9.299672     -0.042883      3.449396
  N      -3.471307      1.993611      2.949958
  N      -3.054593      2.076715      1.904978
88
Coordinates from ORCA-job orca E -6723.644882002325
  N      -2.278945      0.641842      5.052061
  Mo     -4.019799      1.835218      4.885548
  N      -4.642312      1.682152      6.881606
  C      -3.894217      2.075450      8.049810
  C      -2.454473      2.243815      7.566230
  N      -2.377415      2.884837      6.207757
  C      -1.044544      2.582343      5.595711
  C      -0.931132      1.071799      5.326971
  C      -2.612543      4.364677      6.278904
  C      -4.067880      4.667097      5.977248
  N      -4.402302      3.887181      4.789805
  H      -0.260476      0.897872      4.466051
  H      -0.508768      0.525066      6.183242
  H      -1.004914      3.132090      4.650196
  H      -0.233207      2.947364      6.242771
  H      -4.722571      4.384562      6.803739
  H      -4.201936      5.731676      5.778925
  H      -2.292026      4.757488      7.259444
  H      -1.995951      4.835761      5.498087
  H      -3.923332      1.315467      8.851473
  H      -4.291461      3.017806      8.472161
  H      -2.004355      1.247544      7.483052
  H      -1.850648      2.837801      8.272598
  C      -7.680775      0.213650     -0.956465
  C      -6.812010      0.381125      0.265370
  O      -6.022367      1.319624      0.362375
  C      -6.893176     -0.640894      1.348905
  C      -7.902584     -1.610345      1.402967
  C      -7.993725     -2.479554      2.492423
  C      -7.051004     -2.408214      3.503153
  F      -7.185260     -3.249175      4.557503
  C      -5.992065     -1.489602      3.464311
  C      -4.848170     -1.584903      4.402002
  O      -4.504041     -2.661057      4.878003
  N      -4.111554     -0.419224      4.590287
  C      -2.784872     -0.547311      4.872647
  C      -5.955088     -0.599316      2.382275
  C      -6.938919     12.093724      0.182694
  C      -7.146597     10.638370      0.537377
  O      -8.192197     10.063366      0.252173
  C      -6.052885      9.925969      1.260211
  C      -4.857653     10.561321      1.638404
  C      -3.864094      9.850203      2.300300
  C      -4.076294      8.507165      2.598294
  F      -3.063358      7.860460      3.215360
  C      -5.255970      7.832082      2.248652
  C      -5.543243      6.377310      2.522480
  O      -6.378625      5.784224      1.827506
  N      -4.911202      5.857334      3.625387
  C      -4.806747      4.548878      3.695668
  C      -6.219842      8.572045      1.563861
  C     -11.551802      1.256321      0.171733
  C     -10.743330      0.644938      1.306202
  O     -10.887414     -0.544803      1.609738
  C      -9.770688      1.510882      2.043697
  C      -9.521583      2.835347      1.644816
  C      -8.669147      3.631831      2.401070
  C      -8.065098      3.105358      3.530490
  F      -7.383283      3.953553      4.329619
  C      -8.210756      1.777426      3.907757
  C      -7.587591      1.198315      5.131123
  O      -8.265885      0.478802      5.876143
  N      -6.275947      1.551089      5.436778
  C      -5.925864      1.500357      6.739167
  C      -9.104944      0.999965      3.172273
  H      -8.748217      0.268361     -0.677964
  H      -7.457473      1.011455     -1.661802
  H      -7.504969     -0.775129     -1.436313
  H      -8.661060     -1.668625      0.620994
  H      -8.808964     -3.200397      2.584634
  H      -2.248574     -1.505615      4.909180
  H      -5.162203      0.137727      2.313422
  H      -6.735070     12.695670      1.082853
  H      -6.073187     12.209405     -0.487351
  H      -7.839090     12.468074     -0.315709
  H      -4.690581     11.613794      1.411486
  H      -2.907843     10.316027      2.582616
  H      -5.051516      3.922607      2.832838
  H      -7.123972      8.065062      1.252780
  H     -12.221470      0.489370     -0.246222
  H     -10.902174      1.643683     -0.634959
  H     -12.135576      2.112497      0.541928
  H     -10.002329      3.238049      0.770621
  H      -8.468735      4.666805      2.139269
  H      -6.651165      1.373161      7.544171
  H      -9.298986     -0.019494      3.481849
  N      -3.462919      1.996865      2.947250
  N      -3.041397      2.086920      1.895743
88
Coordinates from ORCA-job orca E -6723.646197664361
  N      -2.272384      0.657711      5.060079
  Mo     -4.009393      1.832754      4.874980
  N      -4.634521      1.677281      6.864824
  C      -3.893980      2.067429      8.035618
  C      -2.455914      2.246906      7.557397
  N      -2.380537      2.887176      6.201788
  C      -1.048344      2.598582      5.597992
  C      -0.928283      1.095676      5.333307
  C      -2.623622      4.356339      6.271134
  C      -4.081867      4.648080      5.975029
  N      -4.401296      3.876972      4.775837
  H      -0.262883      0.929369      4.469750
  H      -0.497254      0.555038      6.191014
  H      -1.010557      3.148429      4.651048
  H      -0.240223      2.968992      6.248986
  H      -4.748325      4.339717      6.803489
  H      -4.228565      5.724367      5.792141
  H      -2.306879      4.741615      7.250347
  H      -2.012113      4.834357      5.492339
  H      -3.922430      1.302763      8.831795
  H      -4.299661      3.003140      8.462795
  H      -2.000671      1.258894      7.474276
  H      -1.857895      2.840860      8.264625
  C      -7.680229      0.270041     -0.928608
  C      -6.786453      0.394941      0.287669
  O      -5.991163      1.319878      0.389651
  C      -6.888530     -0.634919      1.361670
  C      -7.906075     -1.608205      1.399014
  C      -7.996711     -2.489445      2.471399
  C      -7.048941     -2.426432      3.485653
  F      -7.168269     -3.282705      4.505058
  C      -5.990948     -1.497097      3.470742
  C      -4.833877     -1.582946      4.418725
  O      -4.479526     -2.659191      4.912028
  N      -4.104689     -0.414128      4.602732
  C      -2.784093     -0.536965      4.890797
  C      -5.950858     -0.597844      2.400258
  C      -6.919220     12.099802      0.169796
  C      -7.129587     10.643610      0.519004
  O      -8.177086     10.075386      0.225881
  C      -6.039438      9.923607      1.247155
  C      -4.838801     10.553705      1.628304
  C      -3.854419      9.839259      2.299729
  C      -4.074434      8.496496      2.599912
  F      -3.063485      7.839708      3.219904
  C      -5.250037      7.826954      2.243899
  C      -5.544478      6.377998      2.525608
  O      -6.386221      5.785215      1.833867
  N      -4.908808      5.860104      3.629379
  C      -4.799439      4.549934      3.684523
  C      -6.211059      8.570057      1.552502
  C     -11.563447      1.226788      0.190041
  C     -10.760306      0.624513      1.329128
  O     -10.904354     -0.555031      1.637030
  C      -9.797415      1.511311      2.051277
  C      -9.553021      2.841614      1.662648
  C      -8.703208      3.652759      2.399874
  C      -8.083963      3.111099      3.522519
  F      -7.382686      3.943035      4.323174
  C      -8.220587      1.763279      3.901065
  C      -7.588677      1.178353      5.122604
  O      -8.254907      0.448269      5.864951
  N      -6.276350      1.538705      5.417470
  C      -5.922100      1.486737      6.721359
  C      -9.121282      0.991109      3.168278
  H      -8.740957      0.325649     -0.635942
  H      -7.454770      1.081845     -1.633217
  H      -7.530115     -0.699227     -1.422439
  H      -8.658822     -1.663097      0.609738
  H      -8.803974     -3.214410      2.541680
  H      -2.241648     -1.490902      4.934068
  H      -5.146757      0.143308      2.344054
  H      -6.729945     12.699992      1.078313
  H      -6.044289     12.221510     -0.485920
  H      -7.810651     12.474511     -0.343175
  H      -4.666182     11.605079      1.399508
  H      -2.905235     10.300559      2.589680
  H      -5.036213      3.937352      2.808819
  H      -7.131045      8.067702      1.246338
  H     -12.230880      0.462978     -0.223787
  H     -10.907862      1.601722     -0.608888
  H     -12.151727      2.082526      0.544996
  H     -10.045611      3.258332      0.790505
  H      -8.507962      4.698718      2.136463
  H      -6.649038      1.340139      7.528112
  H      -9.310120     -0.038030      3.475876
  N      -3.442244      1.989463      2.946381
  N      -3.017509      2.072291      1.900011
88
Coordinates from ORCA-job orca E -6723.646097982157
  N      -2.281724      0.660018      5.054979
  Mo     -4.023651      1.838304      4.884382
  N      -4.638465      1.682891      6.878286
  C      -3.895927      2.080897      8.046142
  C      -2.460430      2.258249      7.564711
  N      -2.387983      2.899065      6.206575
  C      -1.058572      2.602997      5.599338
  C      -0.941983      1.096745      5.334279
  C      -2.627210      4.374233      6.271123
  C      -4.089138      4.669719      5.975451
  N      -4.419331      3.885132      4.786289
  H      -0.272144      0.930243      4.473200
  H      -0.513806      0.551117      6.189402
  H      -1.022582      3.153399      4.652275
  H      -0.243325      2.970561      6.246539
  H      -4.748016      4.376208      6.806640
  H      -4.231245      5.744643      5.784163
  H      -2.301814      4.769287      7.246128
  H      -2.017771      4.842110      5.489829
  H      -3.921220      1.326356      8.847314
  H      -4.296770      3.018628      8.465079
  H      -2.006502      1.264359      7.479731
  H      -1.859619      2.851748      8.272035
  C      -7.702430      0.217532     -0.944113
  C      -6.811509      0.367858      0.267895
  O      -6.019801      1.305663      0.351592
  C      -6.897349     -0.662443      1.352275
  C      -7.888048     -1.646280      1.386924
  C      -7.977587     -2.523310      2.468000
  C      -7.031635     -2.445239      3.485792
  F      -7.156113     -3.294348      4.526579
  C      -5.975908     -1.509002      3.460737
  C      -4.817563     -1.584357      4.405929
  O      -4.457535     -2.657173      4.897665
  N      -4.088798     -0.410186      4.588131
  C      -2.778642     -0.530273      4.884487
  C      -5.956228     -0.613489      2.390990
  C      -6.892040     12.122494      0.191453
  C      -7.125800     10.666752      0.551853
  O      -8.187123     10.112103      0.279862
  C      -6.037107      9.928448      1.261080
  C      -4.824874     10.542437      1.619839
  C      -3.835137      9.813302      2.270017
  C      -4.060441      8.472137      2.570875
  F      -3.047529      7.803805      3.170538
  C      -5.259653      7.816679      2.241708
  C      -5.567235      6.369788      2.526802
  O      -6.412579      5.787786      1.837970
  N      -4.933743      5.854624      3.638250
  C      -4.830060      4.545358      3.698394
  C      -6.227687      8.575311      1.572290
  C     -11.549473      1.236246      0.185651
  C     -10.732118      0.638211      1.306732
  O     -10.852427     -0.551472      1.597844
  C      -9.780685      1.521422      2.044756
  C      -9.554804      2.860566      1.678891
  C      -8.717617      3.677942      2.429846
  C      -8.092526      3.130289      3.546371
  F      -7.411764      3.968311      4.353072
  C      -8.210110      1.775338      3.902226
  C      -7.568996      1.182987      5.110486
  O      -8.222572      0.445085      5.843652
  N      -6.265396      1.556850      5.413290
  C      -5.922945      1.493493      6.726350
  C      -9.099680      0.999329      3.153166
  H      -8.759718      0.259915     -0.650066
  H      -7.486435      1.026746     -1.657370
  H      -7.548384     -0.753694     -1.425918
  H      -8.629448     -1.710669      0.596741
  H      -8.778704     -3.258145      2.541888
  H      -2.253747     -1.482989      4.943971
  H      -5.173356      0.134764      2.337148
  H      -6.670001     12.722366      1.084557
  H      -6.025722     12.216471     -0.484339
  H      -7.789046     12.521618     -0.299873
  H      -4.644390     11.592941      1.388300
  H      -2.884938     10.261930      2.545076
  H      -5.072435      3.922925      2.824883
  H      -7.166231      8.086054      1.288223
  H     -12.204030      0.462703     -0.234082
  H     -10.893029      1.635506     -0.605518
  H     -12.160617      2.075886      0.550723
  H     -10.058578      3.296862      0.795286
  H      -8.530854      4.717763      2.185787
  H      -6.657930      1.335268      7.532439
  H      -9.271876     -0.037985      3.442192
  N      -3.468713      1.995255      2.952068
  N      -3.051650      2.080843      1.907277
88
Coordinates from ORCA-job orca E -6723.646389592137
  N      -2.291019      0.655017      5.052061
  Mo     -4.030881      1.835042      4.882746
  N      -4.636539      1.685428      6.884185
  C      -3.885509      2.078052      8.051738
  C      -2.453431      2.248249      7.565167
  N      -2.388268      2.890898      6.201206
  C      -1.059468      2.594857      5.586645
  C      -0.943548      1.090431      5.322576
  C      -2.631866      4.367323      6.267494
  C      -4.092196      4.661585      5.971271
  N      -4.420478      3.881055      4.779381
  H      -0.284321      0.921032      4.460071
  H      -0.506753      0.549284      6.180677
  H      -1.029850      3.146378      4.635610
  H      -0.242210      2.961560      6.232531
  H      -4.745108      4.368993      6.799814
  H      -4.239575      5.732814      5.777118
  H      -2.307451      4.762310      7.244583
  H      -2.024481      4.837573      5.483716
  H      -3.905920      1.325808      8.854074
  H      -4.279797      3.012939      8.471285
  H      -1.999323      1.254560      7.478653
  H      -1.847916      2.839153      8.271562
  C      -7.695621      0.203564     -0.928059
  C      -6.810059      0.365325      0.287116
  O      -6.019715      1.300834      0.376774
  C      -6.900237     -0.664465      1.363701
  C      -7.900416     -1.648619      1.399764
  C      -7.983517     -2.524140      2.475375
  C      -7.035875     -2.443326      3.492528
  F      -7.156605     -3.290268      4.531647
  C      -5.985185     -1.507535      3.469821
  C      -4.833041     -1.585163      4.413763
  O      -4.472046     -2.656673      4.904688
  N      -4.109648     -0.413579      4.596525
  C      -2.784207     -0.537668      4.880024
  C      -5.959372     -0.613820      2.400835
  C      -6.910006     12.127168      0.195952
  C      -7.119649     10.665694      0.534687
  O      -8.167648     10.098023      0.235208
  C      -6.030614      9.938269      1.256397
  C      -4.834661     10.564027      1.638461
  C      -3.844969      9.842367      2.299015
  C      -4.062406      8.498300      2.591714
  F      -3.054169      7.842550      3.208321
  C      -5.254297      7.831701      2.243144
  C      -5.556731      6.377905      2.514390
  O      -6.395961      5.796196      1.810648
  N      -4.927080      5.854025      3.623889
  C      -4.821943      4.544092      3.683904
  C      -6.211920      8.582812      1.559364
  C     -11.544669      1.242198      0.180526
  C     -10.735720      0.646065      1.309012
  O     -10.861204     -0.538768      1.610973
  C      -9.779275      1.518923      2.041681
  C      -9.545285      2.856188      1.658964
  C      -8.697299      3.666997      2.407552
  C      -8.077622      3.124781      3.529029
  F      -7.392301      3.962178      4.331160
  C      -8.210490      1.780450      3.895099
  C      -7.575712      1.184121      5.122634
  O      -8.239638      0.446344      5.857930
  N      -6.266736      1.554072      5.429557
  C      -5.921457      1.498308      6.738630
  C      -9.106944      1.007964      3.150249
  H      -8.757283      0.243466     -0.646683
  H      -7.478716      1.009999     -1.630277
  H      -7.530226     -0.774147     -1.410351
  H      -8.645085     -1.714641      0.610126
  H      -8.783666     -3.261249      2.547569
  H      -2.235641     -1.493951      4.924353
  H      -5.170068      0.134199      2.345672
  H      -6.714864     12.716188      1.101094
  H      -6.038659     12.247661     -0.465559
  H      -7.804860     12.514740     -0.306976
  H      -4.663044     11.616797      1.415058
  H      -2.900877     10.300376      2.589670
  H      -5.054700      3.923590      2.805312
  H      -7.125551      8.085411      1.251000
  H     -12.203511      0.471798     -0.233602
  H     -10.883006      1.624825     -0.610322
  H     -12.147955      2.092643      0.532833
  H     -10.036241      3.270056      0.787421
  H      -8.503190      4.711302      2.150239
  H      -6.653271      1.348693      7.545332
  H      -9.288404     -0.025436      3.449842
  N      -3.486201      1.990947      2.942784
  N      -3.077454      2.078796      1.888139
88
Coordinates from ORCA-job orca E -6723.647053414093
  N      -2.273833      0.707630      5.008153
  Mo     -4.036892      1.856646      4.868675
  N      -4.632080      1.663292      6.868199
  C      -3.883153      2.054432      8.035392
  C      -2.454655      2.261150      7.542902
  N      -2.407162      2.923735      6.192676
  C      -1.077192      2.663303      5.566131
  C      -0.934732      1.164753      5.276093
  C      -2.675457      4.392234      6.285090
  C      -4.142066      4.665399      6.001678
  N      -4.462374      3.898058      4.800376
  H      -0.274645      1.022215      4.405106
  H      -0.485328      0.617097      6.120602
  H      -1.061913      3.229347      4.626240
  H      -0.264120      3.035633      6.211903
  H      -4.789964      4.346603      6.830234
  H      -4.306171      5.737901      5.826713
  H      -2.354289      4.774893      7.266553
  H      -2.078542      4.887166      5.507419
  H      -3.887295      1.286059      8.826153
  H      -4.296364      2.978835      8.473230
  H      -1.983620      1.278252      7.438956
  H      -1.856830      2.854079      8.253314
  C      -7.779695      0.097436     -0.944324
  C      -6.870912      0.288923      0.249373
  O      -6.131114      1.266127      0.329589
  C      -6.925937     -0.717485      1.352131
  C      -7.907985     -1.716511      1.423218
  C      -7.959597     -2.576735      2.516710
  C      -6.996122     -2.468233      3.512702
  F      -7.081275     -3.306441      4.562434
  C      -5.960339     -1.516468      3.456002
  C      -4.782761     -1.575935      4.371736
  O      -4.399776     -2.643014      4.856314
  N      -4.077653     -0.390744      4.554018
  C      -2.752069     -0.491471      4.824502
  C      -5.970992     -0.634138      2.373675
  C      -6.762376     12.157576      0.123069
  C      -7.025814     10.712629      0.491590
  O      -8.059974     10.153270      0.137202
  C      -5.978179      9.973995      1.260564
  C      -4.784457     10.583054      1.683188
  C      -3.836877      9.852410      2.391975
  C      -4.089409      8.514983      2.687119
  F      -3.119805      7.846713      3.352205
  C      -5.271031      7.864724      2.293404
  C      -5.604373      6.420536      2.568800
  O      -6.391854      5.828038      1.818459
  N      -4.988686      5.883421      3.677695
  C      -4.877410      4.573097      3.719876
  C      -6.191433      8.624242      1.565776
  C     -11.547784      1.241167      0.182629
  C     -10.735325      0.628162      1.302801
  O     -10.866007     -0.560938      1.591120
  C      -9.785743      1.501184      2.051705
  C      -9.567346      2.845903      1.695012
  C      -8.729554      3.652141      2.455641
  C      -8.102556      3.098010      3.566320
  F      -7.414137      3.927601      4.376705
  C      -8.216792      1.744633      3.909199
  C      -7.576617      1.145679      5.121144
  O      -8.215550      0.359255      5.825178
  N      -6.271381      1.523848      5.423551
  C      -5.914775      1.455338      6.728595
  C      -9.100887      0.971635      3.152473
  H      -8.835349      0.098882     -0.634577
  H      -7.610030      0.910975     -1.657433
  H      -7.590156     -0.872247     -1.429154
  H      -8.666893     -1.806730      0.647866
  H      -8.745363     -3.325525      2.615767
  H      -2.195221     -1.435295      4.854640
  H      -5.194415      0.123184      2.290092
  H      -6.601392     12.770339      1.022560
  H      -5.853677     12.240966     -0.493120
  H      -7.619614     12.546905     -0.436632
  H      -4.584726     11.630581      1.457120
  H      -2.895971     10.297657      2.717116
  H      -5.100981      3.963968      2.834170
  H      -7.107338      8.138160      1.228033
  H     -12.206202      0.476008     -0.243259
  H     -10.890733      1.639356     -0.606685
  H     -12.150031      2.084484      0.552630
  H     -10.066673      3.275367      0.825729
  H      -8.541623      4.697447      2.213707
  H      -6.637249      1.282621      7.537151
  H      -9.270131     -0.067294      3.434472
  N      -3.508492      2.047651      2.929428
  N      -3.107036      2.156031      1.876950
88
Coordinates from ORCA-job orca E -6723.647256560515
  N      -2.281830      0.696201      5.013230
  Mo     -4.035455      1.855655      4.855486
  N      -4.641271      1.689825      6.853718
  C      -3.893570      2.089756      8.017432
  C      -2.460365      2.279856      7.527005
  N      -2.401793      2.925491      6.171609
  C      -1.072464      2.648976      5.552370
  C      -0.940590      1.146542      5.278403
  C      -2.657513      4.395339      6.247885
  C      -4.120211      4.677286      5.955948
  N      -4.440439      3.900473      4.761355
  H      -0.278168      0.990287      4.409754
  H      -0.498481      0.604229      6.129159
  H      -1.049086      3.204247      4.607395
  H      -0.258972      3.022333      6.196076
  H      -4.777351      4.370533      6.785670
  H      -4.273310      5.750311      5.770124
  H      -2.338465      4.783677      7.226653
  H      -2.052199      4.878533      5.468661
  H      -3.907804      1.328776      8.817074
  H      -4.302723      3.024145      8.444031
  H      -1.998066      1.292429      7.436505
  H      -1.860345      2.876536      8.231781
  C      -7.769040     -0.046624     -0.959148
  C      -6.893737      0.195434      0.250594
  O      -6.149648      1.171060      0.304776
  C      -6.954287     -0.778484      1.382214
  C      -7.941913     -1.770512      1.480076
  C      -7.998966     -2.600994      2.597301
  C      -7.033648     -2.474286      3.587709
  F      -7.121504     -3.285616      4.656399
  C      -5.991818     -1.530468      3.505388
  C      -4.810481     -1.579773      4.418069
  O      -4.428227     -2.642786      4.913715
  N      -4.095357     -0.396236      4.574572
  C      -2.772783     -0.501770      4.846271
  C      -5.999225     -0.673490      2.401442
  C      -6.843572     12.206462      0.266639
  C      -7.065104     10.742077      0.579520
  O      -8.105828     10.180146      0.250932
  C      -5.986344     10.000354      1.301403
  C      -4.792278     10.618390      1.714386
  C      -3.817188      9.885150      2.380774
  C      -4.040315      8.535620      2.643689
  F      -3.043326      7.865702      3.266165
  C      -5.215587      7.875550      2.255360
  C      -5.516173      6.418879      2.494590
  O      -6.348627      5.850050      1.775828
  N      -4.925051      5.882048      3.615578
  C      -4.839865      4.570241      3.672739
  C      -6.167511      8.638845      1.571434
  C     -11.489872      1.262185      0.113966
  C     -10.704301      0.651084      1.255418
  O     -10.840768     -0.538197      1.541090
  C      -9.767422      1.528271      2.017947
  C      -9.550413      2.873968      1.668667
  C      -8.726821      3.682194      2.439834
  C      -8.107129      3.126410      3.554058
  F      -7.428861      3.956184      4.374124
  C      -8.217792      1.769935      3.892349
  C      -7.586323      1.173138      5.105300
  O      -8.232473      0.395662      5.812080
  N      -6.279285      1.543010      5.406877
  C      -5.926065      1.491103      6.713262
  C      -9.091076      0.995133      3.126172
  H      -8.832251     -0.046208     -0.675960
  H      -7.589031      0.742570     -1.699776
  H      -7.557667     -1.029629     -1.403159
  H      -8.703154     -1.876723      0.707704
  H      -8.788568     -3.342153      2.716580
  H      -2.227506     -1.448226      4.892196
  H      -5.217867      0.077435      2.297910
  H      -6.667311     12.784799      1.187935
  H      -5.956557     12.337660     -0.372091
  H      -7.725633     12.598147     -0.248758
  H      -4.615450     11.675431      1.514497
  H      -2.876131     10.337699      2.697007
  H      -5.068087      3.955870      2.793332
  H      -7.086440      8.146103      1.242295
  H     -12.139344      0.497207     -0.324591
  H     -10.815293      1.657110     -0.662393
  H     -12.098387      2.107220      0.468720
  H     -10.043408      3.306860      0.793596
  H      -8.540536      4.727931      2.202376
  H      -6.651723      1.334377      7.521500
  H      -9.259165     -0.044765      3.404156
  N      -3.503847      2.012870      2.915710
  N      -3.100498      2.101747      1.863761
88
Coordinates from ORCA-job orca E -6723.647569739544
  N      -2.274459      0.725663      4.990054
  Mo     -4.042748      1.864037      4.845985
  N      -4.641892      1.675832      6.844979
  C      -3.895252      2.074463      8.010512
  C      -2.465956      2.283618      7.518420
  N      -2.418539      2.942757      6.167670
  C      -1.087592      2.688235      5.542129
  C      -0.937538      1.190514      5.254545
  C      -2.692757      4.409017      6.257837
  C      -4.159073      4.674697      5.969670
  N      -4.470486      3.905054      4.767662
  H      -0.277037      1.050222      4.383134
  H      -0.484966      0.646666      6.099800
  H      -1.074385      3.252578      4.601343
  H      -0.276476      3.065775      6.187131
  H      -4.810043      4.352389      6.796227
  H      -4.326576      5.746949      5.793620
  H      -2.377482      4.792615      7.240240
  H      -2.095028      4.907249      5.482549
  H      -3.898200      1.308154      8.804046
  H      -4.312417      2.999610      8.445085
  H      -1.993118      1.301657      7.418091
  H      -1.870612      2.879956      8.227749
  C      -7.768967     -0.140815     -0.973060
  C      -6.898464      0.133028      0.233054
  O      -6.145278      1.102823      0.261076
  C      -6.947549     -0.824932      1.377796
  C      -7.932151     -1.818224      1.497177
  C      -7.975785     -2.634516      2.624369
  C      -7.000342     -2.492645      3.603466
  F      -7.076235     -3.288650      4.684466
  C      -5.963284     -1.546105      3.499936
  C      -4.775534     -1.579739      4.402928
  O      -4.373329     -2.638091      4.892510
  N      -4.075473     -0.387396      4.553533
  C      -2.749173     -0.477410      4.817983
  C      -5.983009     -0.703490      2.386340
  C      -6.771796     12.238063      0.251606
  C      -7.020563     10.778917      0.568477
  O      -8.074381     10.237612      0.246120
  C      -5.960509     10.021576      1.302325
  C      -4.756891     10.618896      1.716022
  C      -3.799515      9.871717      2.392897
  C      -4.051331      8.529390      2.666709
  F      -3.071451      7.845107      3.299863
  C      -5.239762      7.890120      2.279726
  C      -5.573072      6.442106      2.532267
  O      -6.387589      5.872230      1.793350
  N      -4.972154      5.893784      3.643392
  C      -4.875849      4.582018      3.684900
  C      -6.171597      8.666605      1.583969
  C     -11.509346      1.298698      0.118883
  C     -10.731837      0.678072      1.259470
  O     -10.874456     -0.511832      1.538116
  C      -9.787943      1.541885      2.025763
  C      -9.570130      2.891764      1.691630
  C      -8.738454      3.688265      2.467340
  C      -8.109394      3.115854      3.568237
  F      -7.420548      3.933086      4.391627
  C      -8.223905      1.756210      3.890986
  C      -7.581832      1.138693      5.091655
  O      -8.228868      0.367133      5.804895
  N      -6.279056      1.520860      5.398515
  C      -5.924738      1.464201      6.704396
  C      -9.107281      0.994964      3.121957
  H      -8.833046     -0.139694     -0.694353
  H      -7.589919      0.631754     -1.729111
  H      -7.551750     -1.133522     -1.394101
  H      -8.700456     -1.935764      0.734268
  H      -8.762276     -3.376430      2.760241
  H      -2.189262     -1.418391      4.857675
  H      -5.205702      0.050191      2.268018
  H      -6.587620     12.815291      1.170929
  H      -5.881090     12.350943     -0.385117
  H      -7.645472     12.644953     -0.267537
  H      -4.557791     11.670177      1.507386
  H      -2.851383     10.307695      2.709308
  H      -5.104862      3.974603      2.799793
  H      -7.096739      8.190539      1.254444
  H     -12.163560      0.540288     -0.323367
  H     -10.828163      1.689324     -0.653050
  H     -12.112848      2.147646      0.473197
  H     -10.068096      3.335539      0.828758
  H      -8.555044      4.738478      2.243230
  H      -6.648265      1.292667      7.512216
  H      -9.276297     -0.048310      3.387863
  N      -3.522626      2.037447      2.904216
  N      -3.126612      2.136858      1.849380
88
Coordinates from ORCA-job orca E -6723.647408046033
  N      -2.275845      0.744553      4.959768
  Mo     -4.051343      1.874717      4.837091
  N      -4.637334      1.670416      6.839783
  C      -3.883838      2.063526      8.004003
  C      -2.458985      2.279546      7.504706
  N      -2.422812      2.951449      6.157564
  C      -1.094748      2.708256      5.520234
  C      -0.938697      1.214158      5.217985
  C      -2.704357      4.416906      6.261659
  C      -4.173114      4.677059      5.980845
  N      -4.485947      3.915158      4.773543
  H      -0.285141      1.084824      4.341496
  H      -0.475927      0.665392      6.055706
  H      -1.091627      3.281636      4.583511
  H      -0.280240      3.083801      6.163109
  H      -4.816239      4.345945      6.805834
  H      -4.347646      5.748638      5.813427
  H      -2.386671      4.794789      7.246635
  H      -2.113154      4.924871      5.488239
  H      -3.877835      1.293735      8.792389
  H      -4.299237      2.982697      8.446612
  H      -1.983868      1.298765      7.393342
  H      -1.860723      2.870938      8.216406
  C      -7.867662     -0.209926     -0.927179
  C      -6.974659      0.087324      0.255726
  O      -6.246655      1.077074      0.268513
  C      -7.000247     -0.854412      1.413674
  C      -7.977159     -1.851425      1.560541
  C      -7.996673     -2.654429      2.697006
  C      -7.003339     -2.496403      3.656545
  F      -7.054560     -3.280034      4.749539
  C      -5.972212     -1.548216      3.522000
  C      -4.767842     -1.573102      4.399873
  O      -4.351032     -2.627947      4.883354
  N      -4.073462     -0.376807      4.536158
  C      -2.742143     -0.460132      4.786770
  C      -6.016831     -0.716971      2.402056
  C      -6.726044     12.274553      0.263928
  C      -7.004435     10.826496      0.607085
  O      -8.065458     10.298413      0.285050
  C      -5.948991     10.052321      1.330126
  C      -4.730744     10.629050      1.725977
  C      -3.777674      9.866790      2.392768
  C      -4.050025      8.530263      2.674966
  F      -3.075244      7.831335      3.298508
  C      -5.257781      7.911615      2.307585
  C      -5.615662      6.470192      2.569978
  O      -6.437032      5.907816      1.832312
  N      -4.997906      5.911151      3.667440
  C      -4.897835      4.599418      3.696802
  C      -6.182585      8.702618      1.620361
  C     -11.411253      1.269827      0.035434
  C     -10.623868      0.652627      1.169601
  O     -10.730521     -0.546268      1.425088
  C      -9.726290      1.529284      1.972727
  C      -9.542554      2.891070      1.664843
  C      -8.750183      3.698106      2.472477
  C      -8.126824      3.126243      3.576900
  F      -7.482437      3.951159      4.427215
  C      -8.213240      1.760788      3.876974
  C      -7.577909      1.137532      5.082989
  O      -8.221852      0.348533      5.780515
  N      -6.276966      1.520439      5.397878
  C      -5.919645      1.454860      6.702605
  C      -9.059049      0.988601      3.076344
  H      -8.924831     -0.233933     -0.624744
  H      -7.723683      0.563269     -1.686598
  H      -7.637038     -1.200584     -1.350076
  H      -8.755491     -1.983703      0.810969
  H      -8.776386     -3.400004      2.854740
  H      -2.173654     -1.399853      4.819872
  H      -5.246170      0.039862      2.262897
  H      -6.527319     12.861917      1.171641
  H      -5.835240     12.357759     -0.377238
  H      -7.593185     12.692349     -0.259630
  H      -4.515464     11.675547      1.510081
  H      -2.818315     10.286498      2.694823
  H      -5.137471      3.997470      2.809116
  H      -7.116800      8.243137      1.303435
  H     -12.030048      0.497158     -0.432741
  H     -10.735148      1.704840     -0.716297
  H     -12.053094      2.086006      0.400272
  H     -10.032717      3.331720      0.800719
  H      -8.596632      4.758309      2.270364
  H      -6.640501      1.274518      7.511683
  H      -9.206531     -0.062124      3.325011
  N      -3.553615      2.056584      2.889547
  N      -3.171188      2.161881      1.828649
88
Coordinates from ORCA-job orca E -6723.647667517868
  N      -2.285578      0.749358      4.955965
  Mo     -4.061764      1.878757      4.836876
  N      -4.642864      1.677913      6.841454
  C      -3.885342      2.072121      8.002526
  C      -2.461583      2.285666      7.498446
  N      -2.428740      2.956974      6.151506
  C      -1.102878      2.713705      5.510372
  C      -0.947690      1.219453      5.208370
  C      -2.710067      4.422304      6.256333
  C      -4.179174      4.682348      5.976666
  N      -4.492638      3.919918      4.769731
  H      -0.297079      1.089560      4.329389
  H      -0.482138      0.671175      6.044525
  H      -1.102519      3.286444      4.573546
  H      -0.286437      3.089778      6.150281
  H      -4.822297      4.350849      6.801923
  H      -4.353304      5.753977      5.809377
  H      -2.391704      4.799729      7.241150
  H      -2.119469      4.930868      5.482809
  H      -3.877864      1.303088      8.791906
  H      -4.298378      2.992677      8.445466
  H      -1.988662      1.304002      7.386046
  H      -1.860240      2.876439      8.208010
  C      -7.788816     -0.260476     -0.974683
  C      -6.907517      0.044903      0.214632
  O      -6.193124      1.044689      0.235165
  C      -6.960744     -0.877247      1.387656
  C      -7.947098     -1.864858      1.533644
  C      -7.990507     -2.652408      2.680792
  C      -7.010751     -2.488955      3.652827
  F      -7.081923     -3.258214      4.755006
  C      -5.971758     -1.549458      3.520398
  C      -4.778741     -1.570473      4.412590
  O      -4.368170     -2.623298      4.906121
  N      -4.083941     -0.374352      4.543564
  C      -2.752948     -0.456163      4.792122
  C      -5.993256     -0.732002      2.389775
  C      -6.720750     12.292560      0.288112
  C      -6.999397     10.844845      0.632435
  O      -8.052736     10.311388      0.294812
  C      -5.939961     10.068514      1.347153
  C      -4.723624     10.646738      1.747404
  C      -3.766949      9.882424      2.406457
  C      -4.033142      8.541959      2.675796
  F      -3.054836      7.841281      3.292204
  C      -5.237901      7.921621      2.303064
  C      -5.587706      6.475723      2.549499
  O      -6.425802      5.925390      1.822091
  N      -4.985821      5.916360      3.654916
  C      -4.898045      4.604159      3.690493
  C      -6.167216      8.715127      1.624518
  C     -11.473039      1.264617      0.080563
  C     -10.703858      0.654509      1.231402
  O     -10.860605     -0.529010      1.530344
  C      -9.768071      1.521847      2.000887
  C      -9.554316      2.871180      1.661246
  C      -8.734289      3.675749      2.442481
  C      -8.112416      3.113127      3.552166
  F      -7.437541      3.940797      4.376331
  C      -8.224123      1.756032      3.881039
  C      -7.590805      1.149672      5.096324
  O      -8.231400      0.359066      5.794523
  N      -6.286738      1.527698      5.404389
  C      -5.925624      1.463792      6.708078
  C      -9.097123      0.986473      3.106369
  H      -8.848877     -0.287181     -0.683361
  H      -7.639119      0.508160     -1.738262
  H      -7.550029     -1.252860     -1.388198
  H      -8.716192     -1.999879      0.775737
  H      -8.777958     -3.390179      2.836641
  H      -2.185179     -1.395366      4.828086
  H      -5.215534      0.018176      2.253268
  H      -6.530436     12.881997      1.196569
  H      -5.824941     12.376946     -0.346132
  H      -7.584770     12.707421     -0.242711
  H      -4.512978     11.696170      1.541251
  H      -2.808999     10.303505      2.711854
  H      -5.137101      4.001090      2.803604
  H      -7.100156      8.254501      1.303538
  H     -12.127788      0.502896     -0.356174
  H     -10.785234      1.643807     -0.690620
  H     -12.076925      2.119606      0.420234
  H     -10.045985      3.306554      0.794049
  H      -8.559985      4.727357      2.216511
  H      -6.644538      1.286319      7.519338
  H      -9.267558     -0.054896      3.378877
  N      -3.576931      2.051418      2.885828
  N      -3.201579      2.151827      1.822127
88
Coordinates from ORCA-job orca E -6723.647498292555
  N      -2.269041      0.767491      4.942582
  Mo     -4.055205      1.879129      4.821198
  N      -4.643523      1.666219      6.821086
  C      -3.894624      2.063587      7.984834
  C      -2.469827      2.293137      7.485672
  N      -2.437743      2.968357      6.144422
  C      -1.108030      2.741574      5.507962
  C      -0.937651      1.250075      5.200162
  C      -2.732116      4.428231      6.254820
  C      -4.202193      4.676256      5.970145
  N      -4.501927      3.916915      4.758568
  H      -0.281677      1.130831      4.320899
  H      -0.470594      0.702509      6.034167
  H      -1.108645      3.317242      4.574864
  H      -0.298457      3.123439      6.151729
  H      -4.850717      4.332039      6.792379
  H      -4.383717      5.749005      5.808517
  H      -2.422841      4.801585      7.242279
  H      -2.141244      4.946781      5.487365
  H      -3.884641      1.288889      8.771364
  H      -4.320248      2.981204      8.431241
  H      -1.988810      1.317329      7.370814
  H      -1.876206      2.887111      8.198049
  C      -7.820107     -0.298987     -0.960084
  C      -6.952862      0.026629      0.235435
  O      -6.193644      0.992134      0.218744
  C      -6.984966     -0.892680      1.413067
  C      -7.974160     -1.873331      1.586417
  C      -7.998524     -2.655699      2.739260
  C      -6.998019     -2.495186      3.688638
  F      -7.050662     -3.258354      4.793725
  C      -5.957234     -1.560412      3.531134
  C      -4.746577     -1.575962      4.404344
  O      -4.330201     -2.625364      4.903070
  N      -4.058354     -0.374037      4.528249
  C      -2.729958     -0.442755      4.778286
  C      -5.996775     -0.748510      2.394948
  C      -6.710301     12.306516      0.308948
  C      -6.968375     10.843298      0.597526
  O      -8.030755     10.318319      0.277505
  C      -5.921597     10.071015      1.335003
  C      -4.716235     10.654818      1.765512
  C      -3.771467      9.893607      2.443852
  C      -4.036482      8.550583      2.702034
  F      -3.068179      7.851457      3.338001
  C      -5.224542      7.925007      2.297968
  C      -5.568850      6.477283      2.532114
  O      -6.389770      5.924102      1.788748
  N      -4.988674      5.916743      3.646979
  C      -4.901453      4.604426      3.680465
  C      -6.145661      8.715423      1.602252
  C     -11.463126      1.289615      0.056095
  C     -10.735893      0.675297      1.233173
  O     -10.915856     -0.505462      1.530236
  C      -9.782399      1.530434      1.999001
  C      -9.550125      2.876736      1.663653
  C      -8.718254      3.668518      2.442368
  C      -8.099209      3.092473      3.546968
  F      -7.403424      3.905029      4.370586
  C      -8.221890      1.732410      3.869361
  C      -7.584421      1.117441      5.070801
  O      -8.227293      0.336253      5.775890
  N      -6.284228      1.503660      5.379691
  C      -5.924782      1.441469      6.683918
  C      -9.107844      0.976128      3.098316
  H      -8.884523     -0.303265     -0.682775
  H      -7.649022      0.446349     -1.747279
  H      -7.589015     -1.303123     -1.342042
  H      -8.764407     -2.003808      0.848700
  H      -8.787751     -3.385447      2.916499
  H      -2.159494     -1.374531      4.816700
  H      -5.218267     -0.002514      2.238705
  H      -6.530996     12.867078      1.241001
  H      -5.813970     12.427918     -0.318162
  H      -7.578205     12.725586     -0.208780
  H      -4.506715     11.706506      1.568894
  H      -2.822397     10.318959      2.772937
  H      -5.124210      4.005201      2.789225
  H      -7.074394      8.249739      1.260205
  H     -12.125515      0.538980     -0.387261
  H     -10.749835      1.643121     -0.705006
  H     -12.052897      2.162205      0.373464
  H     -10.041758      3.326394      0.795942
  H      -8.527657      4.716492      2.217870
  H      -6.643436      1.255570      7.492515
  H      -9.286182     -0.065766      3.363674
  N      -3.567585      2.057486      2.873431
  N      -3.189292      2.161672      1.813660
88
Coordinates from ORCA-job orca E -6723.648013398888
  N      -2.287952      0.765563      4.927312
  Mo     -4.070917      1.884947      4.826328
  N      -4.639560      1.672560      6.833268
  C      -3.875883      2.063520      7.990593
  C      -2.455695      2.284827      7.477572
  N      -2.434228      2.964574      6.136378
  C      -1.112042      2.733083      5.485230
  C      -0.951162      1.241832      5.171758
  C      -2.721926      4.426607      6.253435
  C      -4.193174      4.681122      5.980242
  N      -4.505629      3.925559      4.769040
  H      -0.306280      1.121830      4.285998
  H      -0.476507      0.690266      5.999882
  H      -1.120375      3.311731      4.552834
  H      -0.293529      3.109403      6.121755
  H      -4.834095      4.338390      6.805435
  H      -4.372506      5.753981      5.821984
  H      -2.403105      4.796749      7.240032
  H      -2.135653      4.944946      5.482777
  H      -3.861082      1.289168      8.775883
  H      -4.290060      2.981417      8.441936
  H      -1.981507      1.305683      7.355152
  H      -1.851050      2.872699      8.186338
  C      -7.805762     -0.358650     -0.980697
  C      -6.942562     -0.018887      0.213183
  O      -6.206759      0.964977      0.202596
  C      -6.986145     -0.922466      1.401801
  C      -7.972007     -1.906684      1.572731
  C      -8.007379     -2.674893      2.733832
  C      -7.019111     -2.497526      3.694167
  F      -7.079890     -3.249471      4.807660
  C      -5.980348     -1.560983      3.538094
  C      -4.777320     -1.569491      4.420239
  O      -4.356745     -2.617958      4.916004
  N      -4.085029     -0.369595      4.533934
  C      -2.752717     -0.443030      4.770647
  C      -6.009907     -0.761924      2.393535
  C      -6.702753     12.318553      0.307321
  C      -6.983796     10.867886      0.636139
  O      -8.052880     10.349817      0.326042
  C      -5.929728     10.084987      1.351914
  C      -4.706481     10.653759      1.747367
  C      -3.755632      9.883345      2.407265
  C      -4.033484      8.546288      2.682102
  F      -3.059765      7.838051      3.298247
  C      -5.242763      7.935550      2.313594
  C      -5.604099      6.494237      2.566867
  O      -6.442782      5.945127      1.839701
  N      -4.997308      5.929508      3.666303
  C      -4.910485      4.617155      3.694685
  C      -6.167756      8.734738      1.634675
  C     -11.390684      1.283504      0.020409
  C     -10.654776      0.672624      1.192745
  O     -10.799305     -0.517988      1.468905
  C      -9.749992      1.544654      1.995003
  C      -9.554468      2.903576      1.685030
  C      -8.762846      3.707927      2.494384
  C      -8.146513      3.133056      3.601037
  F      -7.503024      3.955368      4.455540
  C      -8.234339      1.765988      3.898876
  C      -7.595785      1.144615      5.100539
  O      -8.236281      0.355996      5.800339
  N      -6.291572      1.522340      5.405315
  C      -5.922821      1.454684      6.706725
  C      -9.085186      0.997725      3.100454
  H      -8.870310     -0.380111     -0.704809
  H      -7.645627      0.387922     -1.766084
  H      -7.558570     -1.360973     -1.361444
  H      -8.748873     -2.053215      0.823949
  H      -8.794330     -3.408383      2.908599
  H      -2.182146     -1.378213      4.804791
  H      -5.232399     -0.014905      2.238268
  H      -6.501038     12.896899      1.221956
  H      -5.812999     12.407906     -0.334441
  H      -7.570205     12.742287     -0.209208
  H      -4.486871     11.700692      1.537401
  H      -2.792960     10.296905      2.709030
  H      -5.151612      4.019942      2.805626
  H      -7.108478      8.281204      1.318829
  H     -12.016993      0.517016     -0.447827
  H     -10.680841      1.681136     -0.721288
  H     -12.019800      2.125186      0.346643
  H     -10.040234      3.348996      0.816215
  H      -8.603698      4.766571      2.291814
  H      -6.636256      1.270946      7.521023
  H      -9.238299     -0.052310      3.348326
  N      -3.609493      2.058034      2.871046
  N      -3.245399      2.159337      1.804604
88
Coordinates from ORCA-job orca E -6723.647935749052
  N      -2.280719      0.788381      4.898541
  Mo     -4.074299      1.891563      4.805360
  N      -4.640855      1.666876      6.812922
  C      -3.878795      2.056988      7.972370
  C      -2.460856      2.288979      7.459774
  N      -2.445762      2.978750      6.122101
  C      -1.122021      2.763156      5.467990
  C      -0.947457      1.275710      5.143626
  C      -2.747821      4.438078      6.249189
  C      -4.220437      4.680603      5.971834
  N      -4.521951      3.930022      4.754296
  H      -0.304080      1.167814      4.256453
  H      -0.465250      0.722948      5.967377
  H      -1.136791      3.348547      4.538952
  H      -0.305808      3.142259      6.106433
  H      -4.859051      4.326932      6.791168
  H      -4.409625      5.751928      5.819700
  H      -2.435941      4.804431      7.240176
  H      -2.164153      4.967864      5.484660
  H      -3.857749      1.280391      8.754128
  H      -4.297347      2.969049      8.427459
  H      -1.980955      1.312828      7.330245
  H      -1.858866      2.875186      8.172685
  C      -7.918097     -0.479505     -0.920684
  C      -7.016545     -0.115893      0.236719
  O      -6.303170      0.883806      0.195762
  C      -7.032068     -0.989764      1.447411
  C      -8.010693     -1.972519      1.661835
  C      -8.017001     -2.714992      2.839468
  C      -7.006702     -2.513873      3.772460
  F      -7.038400     -3.241026      4.904548
  C      -5.974403     -1.579529      3.571482
  C      -4.750777     -1.571409      4.423431
  O      -4.318954     -2.609773      4.929459
  N      -4.068237     -0.364894      4.515636
  C      -2.732542     -0.424813      4.745129
  C      -6.033154     -0.804403      2.412402
  C      -6.680710     12.365434      0.354925
  C      -6.967189     10.914105      0.676317
  O      -8.022561     10.391248      0.328688
  C      -5.918502     10.124715      1.392895
  C      -4.703792     10.692532      1.812430
  C      -3.757663      9.916184      2.472718
  C      -4.032967      8.573992      2.723884
  F      -3.064409      7.861455      3.342248
  C      -5.236531      7.963795      2.331265
  C      -5.596140      6.516851      2.557298
  O      -6.429127      5.979478      1.814722
  N      -5.006544      5.939980      3.660336
  C      -4.921274      4.627414      3.680780
  C      -6.154984      8.769423      1.652308
  C     -11.344994      1.302772     -0.045518
  C     -10.625880      0.690699      1.135565
  O     -10.801140     -0.491633      1.429329
  C      -9.712615      1.551747      1.937881
  C      -9.494022      2.905741      1.620150
  C      -8.690341      3.701159      2.428200
  C      -8.086510      3.123464      3.540340
  F      -7.417914      3.938202      4.383057
  C      -8.206404      1.762572      3.849614
  C      -7.585258      1.135346      5.059914
  O      -8.237834      0.353296      5.756409
  N      -6.285253      1.513565      5.379325
  C      -5.922089      1.441634      6.682297
  C      -9.065695      1.004081      3.050826
  H      -8.972308     -0.514514     -0.608294
  H      -7.796045      0.260367     -1.716742
  H      -7.668910     -1.483391     -1.299724
  H      -8.801970     -2.139602      0.933080
  H      -8.797083     -3.447571      3.047909
  H      -2.150618     -1.355634      4.781063
  H      -5.261803     -0.058769      2.223662
  H      -6.502395     12.942014      1.274159
  H      -5.776082     12.457288     -0.265374
  H      -7.536791     12.789184     -0.181639
  H      -4.486335     11.743342      1.620869
  H      -2.801047     10.329282      2.792955
  H      -5.155635      4.035453      2.785339
  H      -7.086949      8.317412      1.316938
  H     -11.982617      0.542566     -0.509247
  H     -10.622881      1.679648     -0.785787
  H     -11.961666      2.158849      0.267405
  H      -9.966679      3.351429      0.748184
  H      -8.514200      4.755980      2.218878
  H      -6.637520      1.250142      7.493371
  H      -9.240832     -0.040223      3.307586
  N      -3.626109      2.066339      2.846809
  N      -3.268177      2.170275      1.777328
88
Coordinates from ORCA-job orca E -6723.648307126033
  N      -2.296352      0.787202      4.882920
  Mo     -4.085381      1.898640      4.806953
  N      -4.636239      1.674375      6.819003
  C      -3.862181      2.058251      7.972139
  C      -2.447199      2.282966      7.447334
  N      -2.439894      2.975635      6.112043
  C      -1.123219      2.755310      5.446346
  C      -0.958906      1.267756      5.116975
  C      -2.733645      4.435643      6.245345
  C      -4.207037      4.686060      5.978499
  N      -4.519950      3.939898      4.761219
  H      -0.323800      1.159077      4.223312
  H      -0.472255      0.710537      5.934647
  H      -1.142668      3.342743      4.519112
  H      -0.299779      3.128981      6.078397
  H      -4.842671      4.332067      6.801424
  H      -4.391859      5.759150      5.831053
  H      -2.413812      4.796959      7.235231
  H      -2.152073      4.965175      5.478929
  H      -3.839281      1.279704      8.752483
  H      -4.272003      2.972578      8.432605
  H      -1.974915      1.304385      7.310820
  H      -1.835162      2.863671      8.155979
  C      -7.852635     -0.555287     -0.976255
  C      -6.981550     -0.162420      0.194986
  O      -6.245811      0.820052      0.136367
  C      -7.028505     -1.004422      1.427700
  C      -8.027703     -1.963189      1.654812
  C      -8.058813     -2.679943      2.848344
  C      -7.052451     -2.479153      3.785308
  F      -7.106695     -3.182165      4.931329
  C      -6.002530     -1.566520      3.574897
  C      -4.784000     -1.560836      4.435154
  O      -4.360794     -2.599447      4.948541
  N      -4.092696     -0.358607      4.518963
  C      -2.756623     -0.424341      4.738134
  C      -6.037222     -0.814378      2.399512
  C      -6.687185     12.380046      0.373561
  C      -6.973108     10.928174      0.692775
  O      -8.039478     10.412726      0.368928
  C      -5.921258     10.136226      1.401878
  C      -4.699165     10.699427      1.807213
  C      -3.750530      9.920663      2.460838
  C      -4.030063      8.580752      2.719533
  F      -3.059047      7.865061      3.330903
  C      -5.239756      7.975382      2.341112
  C      -5.604205      6.531606      2.576995
  O      -6.444416      5.993759      1.843165
  N      -5.003281      5.954047      3.673192
  C      -4.922976      4.641297      3.692066
  C      -6.161673      8.783125      1.668753
  C     -11.307023      1.278815     -0.054467
  C     -10.608494      0.679181      1.145517
  O     -10.778493     -0.503712      1.440680
  C      -9.710288      1.550558      1.954379
  C      -9.502934      2.906149      1.637292
  C      -8.716156      3.711370      2.451428
  C      -8.115773      3.140833      3.568988
  F      -7.467263      3.963854      4.419615
  C      -8.219918      1.777779      3.876867
  C      -7.597423      1.160385      5.090091
  O      -8.245861      0.376841      5.788175
  N      -6.292952      1.531644      5.398530
  C      -5.919722      1.456599      6.698706
  C      -9.064563      1.008918      3.072457
  H      -8.915333     -0.573838     -0.693929
  H      -7.701455      0.157954     -1.792648
  H      -7.600268     -1.571746     -1.315955
  H      -8.816101     -2.130461      0.922944
  H      -8.854224     -3.393076      3.065169
  H      -2.180356     -1.357282      4.771803
  H      -5.250374     -0.087321      2.202047
  H      -6.494951     12.952927      1.293027
  H      -5.790746     12.472311     -0.258380
  H      -7.549294     12.807721     -0.149379
  H      -4.478347     11.748538      1.609896
  H      -2.788657     10.330078      2.770100
  H      -5.168370      4.051662      2.798594
  H      -7.100831      8.334471      1.345079
  H     -11.930144      0.511551     -0.525995
  H     -10.572473      1.655672     -0.782608
  H     -11.935492      2.132674      0.240227
  H      -9.973538      3.347378      0.759743
  H      -8.549393      4.767587      2.242727
  H      -6.629541      1.267693      7.515157
  H      -9.228679     -0.037806      3.327170
  N      -3.658999      2.067558      2.843761
  N      -3.311450      2.167959      1.771153
88
Coordinates from ORCA-job orca E -6723.648525957513
  N      -2.306587      0.788392      4.852737
  Mo     -4.096124      1.899509      4.794484
  N      -4.631727      1.674857      6.811511
  C      -3.847181      2.053811      7.958727
  C      -2.435792      2.274946      7.421880
  N      -2.438585      2.972816      6.090269
  C      -1.128090      2.754746      5.412937
  C      -0.967178      1.268439      5.075691
  C      -2.731002      4.431801      6.232229
  C      -4.205039      4.684367      5.969934
  N      -4.520782      3.943004      4.750516
  H      -0.340665      1.163891      4.174899
  H      -0.472819      0.707518      5.885759
  H      -1.154475      3.345818      4.488537
  H      -0.299165      3.125497      6.039220
  H      -4.839560      4.325792      6.792985
  H      -4.389161      5.758589      5.827993
  H      -2.409231      4.786900      7.223333
  H      -2.150457      4.965806      5.467984
  H      -3.820745      1.273153      8.737422
  H      -4.250707      2.969175      8.424533
  H      -1.969320      1.295210      7.276381
  H      -1.814714      2.850175      8.126972
  C      -7.862241     -0.680945     -0.972697
  C      -6.993738     -0.261288      0.191479
  O      -6.244668      0.708722      0.104152
  C      -7.047623     -1.068077      1.447684
  C      -8.055147     -2.010973      1.702596
  C      -8.092108     -2.693912      2.916062
  C      -7.082858     -2.477100      3.845794
  F      -7.139770     -3.149318      5.009746
  C      -6.024946     -1.580364      3.609265
  C      -4.803151     -1.562362      4.465959
  O      -4.376436     -2.595052      4.988631
  N      -4.107166     -0.361249      4.520102
  C      -2.769746     -0.424674      4.724436
  C      -6.053371     -0.860376      2.413300
  C      -6.715820     12.400083      0.411182
  C      -6.989457     10.942440      0.713865
  O      -8.053304     10.422899      0.388778
  C      -5.934118     10.153636      1.421357
  C      -4.717563     10.723145      1.835599
  C      -3.765955      9.946984      2.487873
  C      -4.036504      8.603235      2.736128
  F      -3.062640      7.890120      3.346462
  C      -5.239177      7.991572      2.348120
  C      -5.594387      6.544248      2.573585
  O      -6.429150      6.005856      1.833999
  N      -4.995221      5.963134      3.668574
  C      -4.918622      4.650157      3.683518
  C      -6.165022      8.796966      1.677810
  C     -11.203578      1.322223     -0.127520
  C     -10.556100      0.724806      1.101813
  O     -10.749267     -0.454303      1.398421
  C      -9.677021      1.593142      1.935193
  C      -9.471014      2.952797      1.636111
  C      -8.706961      3.754746      2.474504
  C      -8.122090      3.174676      3.595255
  F      -7.499998      3.991879      4.471232
  C      -8.218556      1.806392      3.883159
  C      -7.602809      1.178611      5.093058
  O      -8.260345      0.406293      5.794604
  N      -6.295633      1.539475      5.400188
  C      -5.916540      1.461250      6.699130
  C      -9.046997      1.042028      3.058710
  H      -8.926752     -0.688208     -0.696464
  H      -7.703050      0.008612     -1.808775
  H      -7.611653     -1.706718     -1.283363
  H      -8.847142     -2.189829      0.977453
  H      -8.894260     -3.392405      3.153761
  H      -2.194229     -1.356747      4.761772
  H      -5.259792     -0.146240      2.195206
  H      -6.534161     12.965376      1.338199
  H      -5.817033     12.508193     -0.214752
  H      -7.579385     12.824446     -0.111343
  H      -4.503853     11.775349      1.646814
  H      -2.808380     10.361517      2.804099
  H      -5.165634      4.064849      2.788287
  H      -7.100961      8.343465      1.347992
  H     -11.815567      0.557323     -0.616941
  H     -10.437917      1.686721     -0.829604
  H     -11.835135      2.183499      0.137120
  H      -9.929112      3.402116      0.754359
  H      -8.544900      4.814642      2.281719
  H      -6.622586      1.273610      7.518844
  H      -9.207449     -0.008774      3.298056
  N      -3.699878      2.054810      2.824871
  N      -3.365576      2.148472      1.747972
88
Coordinates from ORCA-job orca E -6723.648760283252
  N      -2.322154      0.788449      4.813223
  Mo     -4.110173      1.902804      4.783772
  N      -4.622640      1.672900      6.808095
  C      -3.822633      2.040224      7.948285
  C      -2.416777      2.254983      7.395203
  N      -2.433277      2.963975      6.069809
  C      -1.131995      2.748087      5.375159
  C      -0.978918      1.264335      5.022650
  C      -2.721573      4.422475      6.226801
  C      -4.196292      4.681768      5.971455
  N      -4.518574      3.949665      4.747893
  H      -0.365246      1.167098      4.112275
  H      -0.474603      0.694890      5.820516
  H      -1.167412      3.347256      4.456155
  H      -0.294254      3.111119      5.994281
  H      -4.828277      4.317629      6.793854
  H      -4.377839      5.757595      5.838831
  H      -2.396061      4.766973      7.220384
  H      -2.141779      4.962752      5.466465
  H      -3.792174      1.255548      8.722649
  H      -4.214877      2.955755      8.423102
  H      -1.960078      1.273018      7.234460
  H      -1.781818      2.819405      8.096757
  C      -7.872188     -0.805210     -0.967597
  C      -7.008328     -0.353956      0.188100
  O      -6.247035      0.603683      0.071980
  C      -7.075963     -1.118978      1.469613
  C      -8.099285     -2.035628      1.754721
  C      -8.147148     -2.679570      2.989144
  C      -7.132385     -2.452314      3.910350
  F      -7.196972     -3.087750      5.094683
  C      -6.059732     -1.582182      3.644839
  C      -4.833101     -1.557993      4.495032
  O      -4.414251     -2.583305      5.037981
  N      -4.128818     -0.361408      4.519059
  C      -2.789584     -0.425361      4.704276
  C      -6.077303     -0.898029      2.428007
  C      -6.755477     12.413611      0.439925
  C      -7.012679     10.950549      0.730754
  O      -8.067841     10.419981      0.395278
  C      -5.953846     10.171086      1.443430
  C      -4.748855     10.753509      1.872852
  C      -3.793623      9.985536      2.529726
  C      -4.049141      8.636957      2.767291
  F      -3.071934      7.932352      3.382076
  C      -5.240235      8.012406      2.363948
  C      -5.580314      6.559787      2.577462
  O      -6.401058      6.016134      1.825650
  N      -4.984831      5.977668      3.674084
  C      -4.912325      4.664531      3.684785
  C      -6.169852      8.810052      1.689631
  C     -11.085507      1.347121     -0.202334
  C     -10.497834      0.760059      1.061383
  O     -10.721074     -0.411244      1.368192
  C      -9.631984      1.625110      1.911246
  C      -9.420914      2.985143      1.618296
  C      -8.673919      3.786483      2.472525
  C      -8.107645      3.204327      3.601311
  F      -7.500286      4.019293      4.490275
  C      -8.206599      1.835169      3.883601
  C      -7.605421      1.208858      5.101936
  O      -8.273057      0.447205      5.805069
  N      -6.294508      1.555061      5.407901
  C      -5.908920      1.467462      6.705539
  C      -9.020876      1.071576      3.044369
  H      -8.938419     -0.804342     -0.699612
  H      -7.705243     -0.141508     -1.822965
  H      -7.619951     -1.839830     -1.246664
  H      -8.895421     -2.222085      1.036368
  H      -8.961384     -3.355645      3.249410
  H      -2.214688     -1.357858      4.743131
  H      -5.271142     -0.205513      2.187173
  H      -6.594591     12.975419      1.372877
  H      -5.850006     12.538555     -0.173018
  H      -7.618152     12.829241     -0.091144
  H      -4.546975     11.809563      1.692659
  H      -2.844716     10.410418      2.857786
  H      -5.162100      4.084553      2.786852
  H      -7.096809      8.346710      1.348297
  H     -11.688598      0.583376     -0.704464
  H     -10.285522      1.689026     -0.876917
  H     -11.715091      2.221142      0.021857
  H      -9.863077      3.436221      0.729219
  H      -8.509981      4.846863      2.284542
  H      -6.610835      1.279776      7.528735
  H      -9.184831      0.020150      3.278735
  N      -3.757623      2.045601      2.805718
  N      -3.443101      2.133505      1.722392
88
Coordinates from ORCA-job orca E -6723.649005440914
  N      -2.336868      0.795165      4.768026
  Mo     -4.126791      1.906966      4.769232
  N      -4.615422      1.668029      6.801390
  C      -3.802087      2.022729      7.935978
  C      -2.402084      2.234425      7.368018
  N      -2.433583      2.957677      6.050955
  C      -1.140701      2.749619      5.339369
  C      -0.991457      1.270179      4.966962
  C      -2.721754      4.414372      6.225977
  C      -4.196573      4.678496      5.972617
  N      -4.520380      3.956998      4.742947
  H      -0.390103      1.185645      4.047236
  H      -0.476154      0.690864      5.750561
  H      -1.185840      3.359756      4.427858
  H      -0.295529      3.105068      5.952874
  H      -4.827958      4.306913      6.791737
  H      -4.376867      5.755607      5.850215
  H      -2.397431      4.746134      7.224312
  H      -2.140522      4.964239      5.473702
  H      -3.767553      1.232950      8.704714
  H      -4.185126      2.937006      8.420249
  H      -1.954110      1.251495      7.189278
  H      -1.754047      2.787187      8.067042
  C      -7.911063     -0.913531     -0.934609
  C      -7.040853     -0.440099      0.206914
  O      -6.283561      0.518184      0.070118
  C      -7.104545     -1.178961      1.503562
  C      -8.130600     -2.084490      1.812545
  C      -8.179034     -2.698280      3.062320
  C      -7.161218     -2.453135      3.975474
  F      -7.225319     -3.057880      5.176134
  C      -6.085031     -1.595928      3.686117
  C      -4.852911     -1.556187      4.528477
  O      -4.438266     -2.568537      5.097701
  N      -4.144562     -0.362477      4.517037
  C      -2.804064     -0.421450      4.682066
  C      -6.101793     -0.940779      2.453547
  C      -6.783911     12.429472      0.463436
  C      -7.027460     10.962011      0.743845
  O      -8.073190     10.421360      0.395033
  C      -5.967686     10.191198      1.464420
  C      -4.775636     10.785759      1.912442
  C      -3.819000     10.025562      2.576414
  C      -4.060249      8.672427      2.802111
  F      -3.081431      7.975915      3.423155
  C      -5.238494      8.035536      2.379895
  C      -5.563201      6.577588      2.578530
  O      -6.365165      6.029309      1.809141
  N      -4.976555      5.994271      3.680070
  C      -4.908344      4.680445      3.684300
  C      -6.169599      8.825977      1.699282
  C     -10.972452      1.381568     -0.281319
  C     -10.439405      0.799512      1.008799
  O     -10.702109     -0.360823      1.325987
  C      -9.583491      1.656873      1.875884
  C      -9.366927      3.017790      1.592470
  C      -8.634673      3.815391      2.462712
  C      -8.085985      3.227932      3.596678
  F      -7.489462      4.037420      4.498917
  C      -8.188500      1.857525      3.870473
  C      -7.603081      1.233255      5.098463
  O      -8.283304      0.486491      5.804938
  N      -6.289844      1.566814      5.407571
  C      -5.901989      1.467881      6.705726
  C      -8.990497      1.097171      3.016278
  H      -8.974973     -0.920010     -0.659005
  H      -7.755659     -0.260309     -1.800011
  H      -7.649510     -1.949172     -1.202576
  H      -8.929162     -2.283041      1.100240
  H      -8.996238     -3.363385      3.340990
  H      -2.225306     -1.351895      4.725070
  H      -5.292737     -0.258673      2.194320
  H      -6.644895     12.987931      1.401819
  H      -5.870598     12.569062     -0.134453
  H      -7.643592     12.837428     -0.078541
  H      -4.584899     11.845413      1.741603
  H      -2.879649     10.460253      2.918962
  H      -5.156293      4.107709      2.781271
  H      -7.085780      8.353232      1.343219
  H     -11.573214      0.622941     -0.794164
  H     -10.143298      1.699994     -0.931699
  H     -11.593093      2.269563     -0.090108
  H      -9.793336      3.472858      0.698381
  H      -8.467006      4.876188      2.280846
  H      -6.601878      1.276850      7.529600
  H      -9.160028      0.045032      3.243759
  N      -3.824079      2.036743      2.782851
  N      -3.531708      2.119503      1.692756
88
Coordinates from ORCA-job orca E -6723.649186017783
  N      -2.352017      0.808670      4.729874
  Mo     -4.143635      1.917771      4.753666
  N      -4.613586      1.672910      6.791779
  C      -3.790638      2.019419      7.921726
  C      -2.395004      2.229210      7.342500
  N      -2.438088      2.961897      6.031556
  C      -1.151683      2.759819      5.307082
  C      -1.005208      1.283473      4.921089
  C      -2.726301      4.416824      6.219314
  C      -4.201010      4.684144      5.968351
  N      -4.527208      3.970083      4.735019
  H      -0.412695      1.208055      3.994811
  H      -0.482050      0.697600      5.694497
  H      -1.204493      3.377460      4.401036
  H      -0.301041      3.110286      5.915911
  H      -4.831786      4.308248      6.786061
  H      -4.380275      5.762104      5.852642
  H      -2.402716      4.739502      7.220843
  H      -2.144309      4.973626      5.472707
  H      -3.753184      1.226155      8.686699
  H      -4.167300      2.933053      8.412328
  H      -1.953151      1.245850      7.151338
  H      -1.737600      2.774372      8.038751
  C      -7.935473     -1.035237     -0.921105
  C      -7.069331     -0.529358      0.209617
  O      -6.315314      0.427812      0.050134
  C      -7.131969     -1.235180      1.524619
  C      -8.161926     -2.127087      1.859958
  C      -8.208683     -2.709307      3.124881
  C      -7.185997     -2.447019      4.027943
  F      -7.249391     -3.020453      5.243716
  C      -6.106884     -1.602367      3.714164
  C      -4.869704     -1.548195      4.549397
  O      -4.454506     -2.549059      5.138024
  N      -4.160153     -0.355729      4.510951
  C      -2.818847     -0.410091      4.660719
  C      -6.125311     -0.977695      2.465454
  C      -6.775363     12.473218      0.511008
  C      -7.025981     11.007038      0.791574
  O      -8.071595     10.469809      0.437210
  C      -5.964564     10.228486      1.501245
  C      -4.769551     10.817359      1.949152
  C      -3.812204     10.050570      2.604306
  C      -4.055241      8.696266      2.820677
  F      -3.075731      7.993323      3.433181
  C      -5.235805      8.064561      2.397489
  C      -5.561567      6.605750      2.585847
  O      -6.362418      6.063350      1.810797
  N      -4.977173      6.015442      3.685638
  C      -4.914875      4.700533      3.681654
  C      -6.167853      8.861804      1.726081
  C     -10.890044      1.360786     -0.336014
  C     -10.395011      0.795447      0.976431
  O     -10.666292     -0.360969      1.300411
  C      -9.554232      1.659505      1.851582
  C      -9.337279      3.019685      1.565429
  C      -8.616585      3.822341      2.440964
  C      -8.078001      3.239700      3.582110
  F      -7.486307      4.051875      4.485894
  C      -8.182553      1.870147      3.859862
  C      -7.605054      1.252308      5.094613
  O      -8.293099      0.519778      5.808279
  N      -6.290715      1.580270      5.403729
  C      -5.900419      1.475239      6.701984
  C      -8.974618      1.105392      3.001412
  H      -8.999598     -1.045047     -0.645473
  H      -7.785120     -0.400237     -1.800804
  H      -7.663435     -2.073910     -1.166355
  H      -8.963558     -2.339091      1.154603
  H      -9.028010     -3.363324      3.422873
  H      -2.236523     -1.338460      4.706834
  H      -5.313584     -0.306841      2.186359
  H      -6.634437     13.030299      1.449973
  H      -5.861026     12.609106     -0.086162
  H      -7.632875     12.885302     -0.031207
  H      -4.577348     11.877881      1.785632
  H      -2.870781     10.481028      2.946973
  H      -5.166871      4.134960      2.775529
  H      -7.085946      8.393390      1.369696
  H     -11.475024      0.595231     -0.856840
  H     -10.042322      1.672683     -0.965375
  H     -11.517096      2.250017     -0.173940
  H      -9.752664      3.469886      0.664253
  H      -8.447806      4.882408      2.255383
  H      -6.598336      1.281367      7.526522
  H      -9.144350      0.053630      3.230209
  N      -3.875757      2.039641      2.762366
  N      -3.599260      2.119319      1.667781
88
Coordinates from ORCA-job orca E -6723.649361471310
  N      -2.364889      0.827022      4.695950
  Mo     -4.159314      1.931774      4.738126
  N      -4.614700      1.680091      6.780841
  C      -3.785130      2.019335      7.907982
  C      -2.392699      2.228860      7.320903
  N      -2.444973      2.970865      6.016077
  C      -1.163338      2.775970      5.281368
  C      -1.017582      1.302769      4.882760
  C      -2.735279      4.423602      6.216142
  C      -4.209664      4.692552      5.965060
  N      -4.535499      3.985680      4.727565
  H      -0.431313      1.236516      3.951827
  H      -0.488293      0.711246      5.647644
  H      -1.222704      3.400854      4.380686
  H      -0.308859      3.122419      5.887213
  H      -4.841144      4.312641      6.780289
  H      -4.388481      5.771057      5.855251
  H      -2.414636      4.737608      7.221433
  H      -2.151849      4.987990      5.476362
  H      -3.745850      1.222582      8.669115
  H      -4.157352      2.931796      8.404045
  H      -1.955258      1.245610      7.118866
  H      -1.728493      2.767424      8.015856
  C      -7.954046     -1.158379     -0.910070
  C      -7.089682     -0.620113      0.207044
  O      -6.342864      0.338586      0.024964
  C      -7.151243     -1.290808      1.540450
  C      -8.183997     -2.169765      1.901505
  C      -8.227767     -2.721094      3.180169
  C      -7.200252     -2.441520      4.072617
  F      -7.261526     -2.985492      5.301812
  C      -6.119796     -1.607962      3.735162
  C      -4.879403     -1.538034      4.564213
  O      -4.461072     -2.527296      5.169816
  N      -4.171520     -0.345439      4.502616
  C      -2.829775     -0.393883      4.640677
  C      -6.141322     -1.013036      2.471674
  C      -6.752676     12.525581      0.566931
  C      -7.010532     11.058652      0.836583
  O      -8.064405     10.532423      0.490300
  C      -5.950447     10.268422      1.535126
  C      -4.749189     10.846618      1.980515
  C      -3.793298     10.069394      2.625229
  C      -4.044098      8.715293      2.833955
  F      -3.066347      8.002041      3.437219
  C      -5.230835      8.093957      2.412982
  C      -5.563517      6.635834      2.593618
  O      -6.365656      6.100827      1.814699
  N      -4.980764      6.038186      3.690843
  C      -4.922497      4.722416      3.678564
  C      -6.161324      8.901626      1.751964
  C     -10.842599      1.329730     -0.374533
  C     -10.367661      0.778569      0.951236
  O     -10.657040     -0.368784      1.291147
  C      -9.534898      1.649912      1.826841
  C      -9.315809      3.007744      1.531956
  C      -8.602441      3.817307      2.407412
  C      -8.072447      3.242989      3.556640
  F      -7.486534      4.061160      4.459073
  C      -8.179458      1.875469      3.843444
  C      -7.608133      1.268143      5.086379
  O      -8.300617      0.543463      5.803990
  N      -6.292978      1.592880      5.395991
  C      -5.901428      1.482469      6.694654
  C      -8.964952      1.104170      2.985367
  H      -9.017822     -1.167098     -0.632131
  H      -7.808771     -0.543964     -1.804902
  H      -7.675022     -2.200848     -1.130464
  H      -8.988467     -2.395074      1.203571
  H      -9.048057     -3.365150      3.496786
  H      -2.242768     -1.319529      4.690298
  H      -5.328506     -0.351485      2.173991
  H      -6.600461     13.073099      1.509757
  H      -5.842324     12.660888     -0.036356
  H      -7.611794     12.948022      0.035315
  H      -4.550883     11.906893      1.822919
  H      -2.847119     10.491454      2.965586
  H      -5.177606      4.163531      2.769414
  H      -7.083994      8.441526      1.397329
  H     -11.425912      0.561217     -0.892950
  H      -9.985446      1.629075     -0.997036
  H     -11.466150      2.224703     -0.230961
  H      -9.724384      3.450661      0.624646
  H      -8.433139      4.876223      2.214983
  H      -6.598370      1.284571      7.518759
  H      -9.136181      0.053777      3.219471
  N      -3.918531      2.050026      2.743609
  N      -3.654476      2.128780      1.645661
88
Coordinates from ORCA-job orca E -6723.649532428895
  N      -2.376217      0.845423      4.660801
  Mo     -4.175000      1.943267      4.719916
  N      -4.616638      1.685143      6.766720
  C      -3.781105      2.018507      7.891022
  C      -2.391820      2.229419      7.296641
  N      -2.453309      2.980285      5.997928
  C      -1.176292      2.794163      5.253290
  C      -1.029254      1.324188      4.843127
  C      -2.747878      4.430140      6.210042
  C      -4.222356      4.698381      5.958395
  N      -4.546337      3.998111      4.716702
  H      -0.448621      1.267093      3.908023
  H      -0.493487      0.728505      5.600196
  H      -1.243268      3.425649      4.357774
  H      -0.318480      3.138196      5.855901
  H      -4.854744      4.313903      6.770958
  H      -4.401955      5.777314      5.854110
  H      -2.430961      4.735912      7.219025
  H      -2.163694      5.003042      5.477432
  H      -3.739371      1.218431      8.648458
  H      -4.149926      2.929496      8.392358
  H      -1.957460      1.246859      7.084722
  H      -1.722112      2.762491      7.990534
  C      -7.979570     -1.279253     -0.887437
  C      -7.116563     -0.709120      0.214765
  O      -6.373057      0.246986      0.007804
  C      -7.171609     -1.348212      1.564115
  C      -8.202978     -2.218531      1.950293
  C      -8.239718     -2.741210      3.240935
  C      -7.206329     -2.443540      4.120789
  F      -7.259801     -2.962568      5.360900
  C      -6.127607     -1.618059      3.759132
  C      -4.883068     -1.531231      4.579358
  O      -4.458040     -2.508722      5.199356
  N      -4.179503     -0.337558      4.492595
  C      -2.837350     -0.377945      4.619652
  C      -6.156782     -1.050030      2.483292
  C      -6.726410     12.576258      0.619077
  C      -6.993389     11.109300      0.879475
  O      -8.051577     10.592482      0.532252
  C      -5.936582     10.307120      1.569298
  C      -4.730517     10.874448      2.016029
  C      -3.777579     10.086286      2.651654
  C      -4.036267      8.732086      2.850278
  F      -3.061334      8.007746      3.445059
  C      -5.227817      8.121453      2.427756
  C      -5.567269      6.663566      2.597816
  O      -6.370868      6.137339      1.814710
  N      -4.987682      6.057234      3.692001
  C      -4.931651      4.741083      3.671240
  C      -6.155237      8.939977      1.775818
  C     -10.789378      1.310920     -0.418711
  C     -10.339010      0.772331      0.920456
  O     -10.638978     -0.369787      1.268361
  C      -9.514155      1.648649      1.799023
  C      -9.294546      3.005827      1.501894
  C      -8.592282      3.820020      2.382539
  C      -8.072508      3.249629      3.538435
  F      -7.501240      4.071341      4.446829
  C      -8.177474      1.882146      3.826641
  C      -7.612687      1.278879      5.074541
  O      -8.308431      0.556154      5.791217
  N      -6.296897      1.600064      5.385585
  C      -5.903107      1.485010      6.684300
  C      -8.953048      1.106689      2.963563
  H      -9.042953     -1.280609     -0.607774
  H      -7.836324     -0.688776     -1.798607
  H      -7.698484     -2.326632     -1.079226
  H      -9.011102     -2.457462      1.261493
  H      -9.058317     -3.377903      3.576257
  H      -2.244646     -1.299832      4.673884
  H      -5.346236     -0.393239      2.168071
  H      -6.568586     13.116517      1.565204
  H      -5.816420     12.709519      0.014822
  H      -7.583746     13.007783      0.091937
  H      -4.525996     11.934651      1.866091
  H      -2.827771     10.499672      2.992443
  H      -5.187298      4.188674      2.758476
  H      -7.081751      8.488409      1.419912
  H     -11.367852      0.539823     -0.938542
  H      -9.920974      1.600007     -1.030049
  H     -11.410905      2.210159     -0.293820
  H      -9.697188      3.445481      0.590242
  H      -8.426072      4.879744      2.190252
  H      -6.598602      1.282245      7.508314
  H      -9.124143      0.056242      3.197844
  N      -3.958748      2.058930      2.723098
  N      -3.706032      2.137242      1.622353
88
Coordinates from ORCA-job orca E -6723.649700241200
  N      -2.389317      0.865159      4.622742
  Mo     -4.193223      1.954970      4.700866
  N      -4.619298      1.689767      6.751860
  C      -3.776634      2.016223      7.872623
  C      -2.390963      2.229229      7.270110
  N      -2.462568      2.989923      5.978465
  C      -1.191317      2.813842      5.222205
  C      -1.042875      1.347493      4.799568
  C      -2.762359      4.436308      6.204028
  C      -4.237520      4.703280      5.952566
  N      -4.560001      4.010207      4.706554
  H      -0.468391      1.300027      3.860041
  H      -0.500024      0.747737      5.548228
  H      -1.267787      3.452386      4.332545
  H      -0.329485      3.155606      5.820439
  H      -4.870607      4.313850      6.762451
  H      -4.418092      5.782707      5.854340
  H      -2.449170      4.733014      7.216807
  H      -2.178008      5.018965      5.479293
  H      -3.731922      1.212185      8.625661
  H      -4.141323      2.925456      8.380409
  H      -1.959581      1.247671      7.047753
  H      -1.715691      2.756467      7.963083
  C      -8.008285     -1.400221     -0.861288
  C      -7.144195     -0.799506      0.223503
  O      -6.406203      0.155156     -0.008637
  C      -7.192505     -1.405847      1.588536
  C      -8.222970     -2.265963      2.000294
  C      -8.251850     -2.760157      3.302157
  C      -7.211027     -2.446584      4.167946
  F      -7.255809     -2.940967      5.418363
  C      -6.134476     -1.629559      3.781709
  C      -4.885977     -1.524825      4.592655
  O      -4.452436     -2.490377      5.225552
  N      -4.188542     -0.329476      4.480578
  C      -2.845947     -0.360539      4.596604
  C      -6.172320     -1.087699      2.494607
  C      -6.699752     12.626022      0.670612
  C      -6.974796     11.158496      0.919232
  O      -8.037083     10.651084      0.570773
  C      -5.922094     10.344524      1.601497
  C      -4.711579     10.900825      2.050321
  C      -3.762144     10.101687      2.677419
  C      -4.029068      8.747558      2.865838
  F      -3.057004      8.011834      3.451708
  C      -5.225342      8.147967      2.441314
  C      -5.572286      6.690413      2.601031
  O      -6.377439      6.172965      1.814204
  N      -4.997576      6.075452      3.692537
  C      -4.943103      4.759617      3.664267
  C      -6.148962      8.977236      1.797699
  C     -10.723143      1.294226     -0.465822
  C     -10.301971      0.767056      0.886995
  O     -10.609229     -0.371916      1.238608
  C      -9.491003      1.649185      1.773376
  C      -9.270761      3.006150      1.476327
  C      -8.582363      3.824174      2.364861
  C      -8.076094      3.256556      3.528193
  F      -7.519972      4.080491      4.443581
  C      -8.179583      1.888960      3.816299
  C      -7.619941      1.286076      5.066300
  O      -8.318637      0.567399      5.784172
  N      -6.303791      1.605090      5.377148
  C      -5.905360      1.485885      6.674894
  C      -8.942972      1.110304      2.945585
  H      -9.070892     -1.387063     -0.579073
  H      -7.865167     -0.836891     -1.789677
  H      -7.731134     -2.453645     -1.021410
  H      -9.035833     -2.517042      1.321447
  H      -9.069017     -3.388177      3.656749
  H      -2.247029     -1.278041      4.655583
  H      -5.364540     -0.435193      2.162429
  H      -6.536927     13.158049      1.620616
  H      -5.790118     12.758646      0.065659
  H      -7.555439     13.066587      0.148373
  H      -4.500673     11.960877      1.908223
  H      -2.808878     10.506194      3.019029
  H      -5.197564      4.213139      2.747748
  H      -7.079396      8.534458      1.440061
  H     -11.293695      0.520696     -0.990558
  H      -9.841480      1.574899     -1.061721
  H     -11.343634      2.196710     -0.360427
  H      -9.663599      3.443028      0.558570
  H      -8.418083      4.884643      2.174373
  H      -6.597943      1.276966      7.499805
  H      -9.113392      0.059523      3.178180
  N      -4.002368      2.070576      2.702358
  N      -3.761784      2.149651      1.598905
88
Coordinates from ORCA-job orca E -6723.649847801355
  N      -2.402396      0.889213      4.582508
  Mo     -4.213232      1.967646      4.681342
  N      -4.623027      1.692161      6.735892
  C      -3.773136      2.010744      7.853227
  C      -2.391566      2.229171      7.242958
  N      -2.474165      3.001445      5.959776
  C      -1.209175      2.838761      5.191219
  C      -1.057267      1.377107      4.754000
  C      -2.781388      4.443334      6.200561
  C      -4.257856      4.707006      5.950022
  N      -4.578221      4.022246      4.699032
  H      -0.489174      1.341187      3.810046
  H      -0.506261      0.773353      5.493372
  H      -1.297095      3.485358      4.308498
  H      -0.343432      3.179003      5.784751
  H      -4.890566      4.310331      6.756787
  H      -4.441105      5.786814      5.859497
  H      -2.472113      4.730105      7.217317
  H      -2.198145      5.037606      5.484464
  H      -3.723920      1.201539      8.600392
  H      -4.134636      2.916699      8.369390
  H      -1.961346      1.249796      7.009078
  H      -1.711934      2.750588      7.936150
  C      -8.037097     -1.517826     -0.832148
  C      -7.175585     -0.884078      0.235518
  O      -6.442539      0.068100     -0.021761
  C      -7.213531     -1.460930      1.613977
  C      -8.240945     -2.312512      2.051205
  C      -8.258358     -2.781786      3.362340
  C      -7.208749     -2.453397      4.212275
  F      -7.240697     -2.926547      5.471273
  C      -6.137069     -1.642296      3.801542
  C      -4.883057     -1.518345      4.600740
  O      -4.438728     -2.471584      5.244936
  N      -4.195142     -0.319956      4.464883
  C      -2.852090     -0.339287      4.570081
  C      -6.186749     -1.123602      2.505199
  C      -6.664615     12.675047      0.715275
  C      -6.951932     11.208861      0.957817
  O      -8.017399     10.711287      0.604982
  C      -5.904532     10.381982      1.632787
  C      -4.688239     10.925293      2.081871
  C      -3.743748     10.114271      2.701301
  C      -4.021533      8.761219      2.881596
  F      -3.053601      8.012948      3.458781
  C      -5.224143      8.174690      2.457006
  C      -5.582298      6.718814      2.609106
  O      -6.391758      6.211342      1.820580
  N      -5.011997      6.094189      3.697012
  C      -4.958976      4.779268      3.660722
  C      -6.142461      9.015444      1.820976
  C     -10.659494      1.280177     -0.511103
  C     -10.267107      0.761076      0.853225
  O     -10.588341     -0.372636      1.209082
  C      -9.470168      1.647069      1.748907
  C      -9.247808      3.003690      1.452877
  C      -8.572285      3.824020      2.349278
  C      -8.079908      3.258122      3.519354
  F      -7.535616      4.083132      4.440761
  C      -8.183935      1.890602      3.807360
  C      -7.629388      1.287647      5.059427
  O      -8.328939      0.569905      5.777049
  N      -6.313271      1.606170      5.369487
  C      -5.908128      1.481809      6.665205
  C      -8.936141      1.109966      2.928618
  H      -9.099761     -1.487451     -0.551379
  H      -7.890421     -0.984971     -1.777981
  H      -7.765525     -2.577248     -0.956466
  H      -9.060063     -2.574570      1.383946
  H      -9.072466     -3.402511      3.736238
  H      -2.245434     -1.251436      4.632849
  H      -5.383200     -0.474247      2.156312
  H      -6.496608     13.202304      1.667040
  H      -5.754312     12.802208      0.110064
  H      -7.516839     13.124721      0.195182
  H      -4.468928     11.984481      1.946006
  H      -2.786160     10.508476      3.042690
  H      -5.211551      4.239075      2.740062
  H      -7.077899      8.583032      1.463026
  H     -11.227768      0.507888     -1.039962
  H      -9.764361      1.547379     -1.092888
  H     -11.272890      2.189371     -0.423608
  H      -9.629180      3.438507      0.528958
  H      -8.407579      4.884761      2.160717
  H      -6.596183      1.264003      7.491666
  H      -9.107262      0.058939      3.159345
  N      -4.047578      2.086411      2.681912
  N      -3.819114      2.168119      1.576022
88
Coordinates from ORCA-job orca E -6723.649975340495
  N      -2.416646      0.916287      4.541380
  Mo     -4.235355      1.980773      4.663130
  N      -4.627371      1.692513      6.720721
  C      -3.769638      2.003577      7.834072
  C      -2.393197      2.230711      7.215407
  N      -2.488612      3.015074      5.941202
  C      -1.230425      2.867988      5.159580
  C      -1.073377      1.411688      4.706549
  C      -2.804443      4.452055      6.197741
  C      -4.282886      4.710223      5.950545
  N      -4.602158      4.033955      4.694703
  H      -0.512831      1.388551      3.757734
  H      -0.512580      0.804310      5.435537
  H      -1.331450      3.522781      4.284292
  H      -0.360739      3.207815      5.747674
  H      -4.912277      4.304004      6.754733
  H      -4.471091      5.789860      5.869139
  H      -2.497307      4.729367      7.217814
  H      -2.224630      5.058376      5.489088
  H      -3.713284      1.188739      8.574477
  H      -4.129071      2.904769      8.360000
  H      -1.962192      1.254583      6.969176
  H      -1.709903      2.747090      7.908964
  C      -8.065356     -1.628562     -0.804448
  C      -7.200043     -0.968865      0.243936
  O      -6.479230     -0.013486     -0.035496
  C      -7.229677     -1.515054      1.635283
  C      -8.254441     -2.356534      2.097268
  C      -8.261863     -2.800464      3.417394
  C      -7.204800     -2.457037      4.252343
  F      -7.225219     -2.907575      5.520186
  C      -6.137517     -1.653177      3.817960
  C      -4.877230     -1.511004      4.604682
  O      -4.421922     -2.452246      5.258643
  N      -4.200840     -0.309073      4.446857
  C      -2.857109     -0.315544      4.540256
  C      -6.197141     -1.158872      2.512352
  C      -6.618783     12.724661      0.755590
  C      -6.921584     11.260521      0.991496
  O      -7.995980     10.777920      0.645005
  C      -5.881903     10.418741      1.660009
  C      -4.656733     10.945261      2.104447
  C      -3.719333     10.120563      2.716830
  C      -4.013338      8.770708      2.894569
  F      -3.052017      8.007972      3.463842
  C      -5.225976      8.201034      2.475274
  C      -5.601684      6.749384      2.625354
  O      -6.422102      6.254322      1.840314
  N      -5.031970      6.113525      3.707026
  C      -4.982299      4.799513      3.661970
  C      -6.136801      9.054935      1.846314
  C     -10.591684      1.259430     -0.553923
  C     -10.234278      0.751863      0.824103
  O     -10.558927     -0.381106      1.179504
  C      -9.452976      1.641829      1.729622
  C      -9.231951      2.999236      1.436591
  C      -8.570357      3.821759      2.341657
  C      -8.088784      3.256926      3.516586
  F      -7.556490      4.083061      4.444320
  C      -8.190544      1.889004      3.802241
  C      -7.640466      1.285250      5.055904
  O      -8.339538      0.566712      5.772634
  N      -6.324708      1.604480      5.364751
  C      -5.911084      1.473999      6.657480
  C      -8.930510      1.106227      2.915076
  H      -9.126952     -1.583014     -0.520704
  H      -7.919373     -1.121495     -1.764354
  H      -7.800611     -2.692624     -0.900648
  H      -9.079190     -2.629917      1.441433
  H      -9.073488     -3.413013      3.809889
  H      -2.241919     -1.222030      4.604515
  H      -5.396495     -0.515621      2.146467
  H      -6.439158     13.245039      1.708907
  H      -5.710653     12.844467      0.145583
  H      -7.468820     13.186940      0.242935
  H      -4.424694     12.001972      1.970323
  H      -2.755044     10.501572      3.054262
  H      -5.235424      4.266063      2.737512
  H      -7.079406      8.635745      1.491851
  H     -11.149619      0.484348     -1.089755
  H      -9.680712      1.517509     -1.115192
  H     -11.203382      2.171644     -0.490310
  H      -9.603025      3.432610      0.507915
  H      -8.406928      4.883196      2.156064
  H      -6.592737      1.245813      7.486491
  H      -9.100076      0.054397      3.143147
  N      -4.095960      2.103014      2.662978
  N      -3.880008      2.187876      1.554664
88
Coordinates from ORCA-job orca E -6723.650096762867
  N      -2.430398      0.951380      4.499835
  Mo     -4.258682      1.997361      4.647617
  N      -4.631905      1.690123      6.706912
  C      -3.766694      1.992451      7.816743
  C      -2.396237      2.234068      7.190418
  N      -2.506449      3.032801      5.927171
  C      -1.255256      2.906106      5.131894
  C      -1.090062      1.456901      4.659368
  C      -2.833914      4.463467      6.202332
  C      -4.315354      4.712849      5.960603
  N      -4.632974      4.047327      4.698496
  H      -0.537690      1.449970      3.705572
  H      -0.517845      0.845562      5.376103
  H      -1.371409      3.570608      4.265825
  H      -0.382149      3.246397      5.714750
  H      -4.938982      4.292637      6.761799
  H      -4.511756      5.791779      5.891651
  H      -2.528141      4.730156      7.225675
  H      -2.259998      5.084166      5.501437
  H      -3.700610      1.170004      8.547802
  H      -4.126301      2.886088      8.355405
  H      -1.961276      1.263325      6.929803
  H      -1.711036      2.745843      7.885674
  C      -8.085080     -1.733049     -0.784349
  C      -7.223800     -1.042585      0.247100
  O      -6.513593     -0.085635     -0.053745
  C      -7.242355     -1.562039      1.648846
  C      -8.261704     -2.396882      2.133700
  C      -8.256716     -2.819979      3.460777
  C      -7.192396     -2.462148      4.280455
  F      -7.198926     -2.893851      5.555270
  C      -6.132201     -1.661735      3.824402
  C      -4.865030     -1.500631      4.597667
  O      -4.395427     -2.431656      5.255945
  N      -4.203303     -0.293237      4.423419
  C      -2.858892     -0.284643      4.504950
  C      -6.204036     -1.187784      2.511637
  C      -6.552895     12.772006      0.779117
  C      -6.880743     11.314244      1.020724
  O      -7.964651     10.849550      0.679482
  C      -5.851739     10.454961      1.683571
  C      -4.614069     10.959912      2.117794
  C      -3.686985     10.119482      2.724713
  C      -4.003892      8.775564      2.906849
  F      -3.052259      7.995866      3.469330
  C      -5.230061      8.227353      2.498036
  C      -5.630117      6.782920      2.652877
  O      -6.468940      6.302420      1.878218
  N      -5.059018      6.135717      3.726999
  C      -5.013739      4.822685      3.672751
  C      -6.130245      9.096325      1.874568
  C     -10.542668      1.236340     -0.583848
  C     -10.208367      0.733648      0.801727
  O     -10.543351     -0.396007      1.158460
  C      -9.442811      1.626840      1.717185
  C      -9.226008      2.985750      1.428276
  C      -8.577178      3.810220      2.340826
  C      -8.103539      3.246033      3.519051
  F      -7.581296      4.073207      4.452162
  C      -8.201195      1.877352      3.801753
  C      -7.652263      1.274197      5.056376
  O      -8.348311      0.553738      5.773555
  N      -6.337640      1.598687      5.362967
  C      -5.913637      1.460348      6.651571
  C      -8.929162      1.092110      2.906909
  H      -9.147300     -1.674984     -0.504314
  H      -7.935728     -1.254193     -1.758052
  H      -7.824150     -2.800419     -0.848507
  H      -9.091861     -2.682234      1.489589
  H      -9.063784     -3.427428      3.870290
  H      -2.233739     -1.184656      4.566867
  H      -5.407885     -0.548417      2.129734
  H      -6.358363     13.291690      1.729800
  H      -5.646392     12.873780      0.163390
  H      -7.397502     13.248255      0.270210
  H      -4.363923     12.012000      1.979877
  H      -2.713450     10.483632      3.054149
  H      -5.267982      4.296542      2.744316
  H      -7.082816      8.693858      1.527900
  H     -11.097225      0.461934     -1.124255
  H      -9.620754      1.484991     -1.131677
  H     -11.149070      2.152948     -0.535763
  H      -9.589627      3.418359      0.496442
  H      -8.416053      4.872653      2.158431
  H      -6.586737      1.217638      7.483494
  H      -9.095092      0.039034      3.131881
  N      -4.144669      2.128407      2.647480
  N      -3.940865      2.219451      1.537195
88
Coordinates from ORCA-job orca E -6723.650201980648
  N      -2.446983      0.985809      4.459042
  Mo     -4.283961      2.013522      4.632103
  N      -4.637914      1.690388      6.693164
  C      -3.765012      1.985472      7.798777
  C      -2.400779      2.241551      7.164511
  N      -2.526094      3.051892      5.910924
  C      -1.282371      2.944062      5.102046
  C      -1.109561      1.501533      4.611985
  C      -2.864494      4.476678      6.201756
  C      -4.349059      4.716434      5.966448
  N      -4.666338      4.059863      4.699380
  H      -0.565992      1.509523      3.653196
  H      -0.525804      0.887222      5.316793
  H      -1.413710      3.616648      4.244415
  H      -0.405659      3.285727      5.678768
  H      -4.965333      4.282504      6.765782
  H      -4.554410      5.794217      5.909053
  H      -2.558739      4.734907      7.227288
  H      -2.297325      5.109769      5.506544
  H      -3.688685      1.156329      8.521156
  H      -4.124964      2.871785      8.349307
  H      -1.961142      1.276226      6.891339
  H      -1.714009      2.750433      7.860483
  C      -8.112650     -1.833537     -0.755854
  C      -7.256474     -1.113273      0.258900
  O      -6.561556     -0.151432     -0.061379
  C      -7.259543     -1.610157      1.668785
  C      -8.268435     -2.444611      2.175014
  C      -8.249060     -2.848332      3.508087
  C      -7.179748     -2.471850      4.312649
  F      -7.170035     -2.886672      5.593352
  C      -6.130032     -1.670462      3.835932
  C      -4.855825     -1.489476      4.594543
  O      -4.370352     -2.410568      5.255083
  N      -4.208472     -0.277527      4.401930
  C      -2.863524     -0.254350      4.470616
  C      -6.216617     -1.215310      2.517177
  C      -6.487194     12.824455      0.819342
  C      -6.842123     11.373686      1.064583
  O      -7.940940     10.932506      0.740394
  C      -5.821376     10.491953      1.710656
  C      -4.565727     10.969467      2.123375
  C      -3.647483     10.109262      2.715972
  C      -3.991176      8.773101      2.905290
  F      -3.048193      7.972659      3.452881
  C      -5.236112      8.251903      2.517665
  C      -5.665209      6.817073      2.681540
  O      -6.530099      6.354564      1.924870
  N      -5.087901      6.156677      3.744225
  C      -5.048886      4.844382      3.680638
  C      -6.127142      9.140007      1.908072
  C     -10.476350      1.208949     -0.622692
  C     -10.165934      0.712461      0.770443
  O     -10.504189     -0.416798      1.125682
  C      -9.422263      1.611452      1.697892
  C      -9.213980      2.972868      1.414463
  C      -8.583547      3.801109      2.336784
  C      -8.119112      3.238450      3.519323
  F      -7.612220      4.067903      4.459436
  C      -8.209670      1.868570      3.798222
  C      -7.665670      1.267464      5.056215
  O      -8.360085      0.543687      5.771238
  N      -6.352015      1.594982      5.361690
  C      -5.917714      1.449272      6.646186
  C      -8.919600      1.078976      2.893132
  H      -9.175457     -1.767303     -0.478947
  H      -7.962018     -1.380156     -1.741441
  H      -7.852506     -2.902332     -0.791178
  H      -9.102084     -2.746322      1.542726
  H      -9.048161     -3.455414      3.933499
  H      -2.229025     -1.148083      4.530418
  H      -5.428368     -0.575513      2.119786
  H      -6.265906     13.338230      1.767338
  H      -5.589114     12.907999      0.188705
  H      -7.329812     13.319613      0.325351
  H      -4.294305     12.015509      1.979773
  H      -2.660819     10.452131      3.028746
  H      -5.309081      4.325283      2.749805
  H      -7.094289      8.758750      1.578525
  H     -11.020620      0.431666     -1.169473
  H      -9.543833      1.454527     -1.153901
  H     -11.083437      2.125804     -0.592026
  H      -9.569791      3.404313      0.479140
  H      -8.429062      4.865449      2.159065
  H      -6.581698      1.193334      7.481478
  H      -9.078566      0.023985      3.113987
  N      -4.195750      2.148918      2.631879
  N      -4.004059      2.243450      1.519567
88
Coordinates from ORCA-job orca E -6723.650299824015
  N      -2.459565      1.020394      4.424271
  Mo     -4.305589      2.028961      4.618035
  N      -4.644230      1.690412      6.679909
  C      -3.766425      1.978652      7.783262
  C      -2.407273      2.250759      7.144463
  N      -2.545668      3.071427      5.899936
  C      -1.307643      2.982446      5.080625
  C      -1.125702      1.546626      4.574303
  C      -2.896524      4.490183      6.204592
  C      -4.383991      4.719071      5.972906
  N      -4.698208      4.070609      4.700805
  H      -0.588474      1.569344      3.612199
  H      -0.532260      0.929950      5.268872
  H      -1.452163      3.662273      4.230861
  H      -0.428970      3.326194      5.653196
  H      -4.993978      4.271553      6.769441
  H      -4.599028      5.795320      5.926173
  H      -2.592710      4.741057      7.232524
  H      -2.335370      5.135123      5.515448
  H      -3.680925      1.142690      8.496634
  H      -4.128690      2.857031      8.345033
  H      -1.960938      1.291519      6.860438
  H      -1.721310      2.758138      7.842432
  C      -8.131749     -1.936319     -0.731887
  C      -7.279154     -1.186980      0.264128
  O      -6.599958     -0.220748     -0.076509
  C      -7.268820     -1.658245      1.682551
  C      -8.269575     -2.488648      2.210807
  C      -8.237595     -2.870914      3.550003
  C      -7.163122     -2.477451      4.339159
  F      -7.139804     -2.872620      5.626167
  C      -6.122125     -1.678141      3.841414
  C      -4.842058     -1.478641      4.586064
  O      -4.343968     -2.389347      5.251502
  N      -4.208801     -0.261853      4.380021
  C      -2.863816     -0.223873      4.439667
  C      -6.221813     -1.243556      2.516479
  C      -6.427525     12.870975      0.863073
  C      -6.807641     11.427181      1.111558
  O      -7.921086     11.009389      0.807130
  C      -5.792494     10.522427      1.734356
  C      -4.518235     10.972044      2.120336
  C      -3.606866     10.092035      2.694139
  C      -3.975942      8.763992      2.891631
  F      -3.039944      7.943045      3.420542
  C      -5.239748      8.269999      2.529610
  C      -5.695777      6.844971      2.704053
  O      -6.585681      6.398967      1.966958
  N      -5.113846      6.174065      3.757262
  C      -5.080123      4.862579      3.686812
  C      -6.123638      9.177350      1.938059
  C     -10.424841      1.195191     -0.655470
  C     -10.141533      0.703680      0.744967
  O     -10.485892     -0.424530      1.097707
  C      -9.412051      1.603375      1.682669
  C      -9.208817      2.966850      1.406103
  C      -8.592423      3.795345      2.337826
  C      -8.135425      3.230532      3.522109
  F      -7.641300      4.058961      4.470165
  C      -8.220058      1.859004      3.794323
  C      -7.676601      1.257493      5.052719
  O      -8.369888      0.533527      5.768486
  N      -6.364056      1.589337      5.357612
  C      -5.921740      1.436911      6.638743
  C      -8.917484      1.068784      2.880457
  H      -9.195046     -1.854715     -0.460339
  H      -7.976055     -1.513220     -1.730066
  H      -7.877711     -3.007006     -0.733647
  H      -9.107014     -2.805480      1.590709
  H      -9.030327     -3.474787      3.991587
  H      -2.219945     -1.111114      4.497737
  H      -5.440446     -0.605182      2.103125
  H      -6.174752     13.376213      1.807767
  H      -5.541897     12.938060      0.213142
  H      -7.270050     13.385751      0.389375
  H      -4.226527     12.011731      1.970493
  H      -2.606686     10.413395      2.986273
  H      -5.343518      4.348949      2.753822
  H      -7.105805      8.817507      1.629685
  H     -10.963236      0.417973     -1.208206
  H      -9.480949      1.432176     -1.170358
  H     -11.026655      2.115883     -0.642203
  H      -9.559631      3.399923      0.469697
  H      -8.443761      4.861756      2.167021
  H      -6.577634      1.167335      7.476074
  H      -9.071577      0.011808      3.095482
  N      -4.237444      2.169500      2.618072
  N      -4.055017      2.267487      1.504327
88
Coordinates from ORCA-job orca E -6723.650383303168
  N      -2.478848      1.036331      4.392441
  Mo     -4.326266      2.039019      4.603324
  N      -4.649014      1.698342      6.668188
  C      -3.763540      1.982238      7.766401
  C      -2.409185      2.258705      7.118778
  N      -2.558225      3.082621      5.878176
  C      -1.326506      2.998849      5.049264
  C      -1.145167      1.565524      4.535581
  C      -2.910967      4.499525      6.188444
  C      -4.399712      4.725225      5.962645
  N      -4.717905      4.079751      4.689829
  H      -0.615304      1.594376      3.569520
  H      -0.545157      0.946736      5.222567
  H      -1.478306      3.681333      4.202827
  H      -0.443951      3.342217      5.616103
  H      -5.004382      4.272135      6.760095
  H      -4.618374      5.800875      5.921242
  H      -2.604481      4.747707      7.216215
  H      -2.353585      5.147860      5.499411
  H      -3.672246      1.143291      8.475496
  H      -4.122713      2.857941      8.334368
  H      -1.963018      1.301285      6.828275
  H      -1.719051      2.764919      7.813513
  C      -8.144221     -2.049567     -0.703926
  C      -7.299469     -1.270013      0.275068
  O      -6.626857     -0.307547     -0.088033
  C      -7.287929     -1.705616      1.704756
  C      -8.288940     -2.521519      2.254379
  C      -8.256004     -2.871419      3.602521
  C      -7.179256     -2.462091      4.380082
  F      -7.154300     -2.826659      5.676189
  C      -6.137337     -1.677236      3.861854
  C      -4.852781     -1.467475      4.596108
  O      -4.349722     -2.369188      5.270072
  N      -4.223683     -0.252740      4.369055
  C      -2.878818     -0.209639      4.416744
  C      -6.239272     -1.272738      2.527475
  C      -6.404284     12.922854      0.945097
  C      -6.798276     11.481578      1.186342
  O      -7.925547     11.083231      0.908053
  C      -5.780104     10.555685      1.772142
  C      -4.489618     10.982979      2.128724
  C      -3.577421     10.085137      2.672609
  C      -3.961562      8.761436      2.869982
  F      -3.025923      7.922936      3.371317
  C      -5.240776      8.288739      2.534862
  C      -5.712264      6.869337      2.711009
  O      -6.618977      6.436661      1.986591
  N      -5.124238      6.187950      3.754150
  C      -5.099667      4.876374      3.679120
  C      -6.125682      9.213786      1.972687
  C     -10.336574      1.164695     -0.700085
  C     -10.089385      0.690393      0.712544
  O     -10.446332     -0.432297      1.070466
  C      -9.381464      1.598754      1.658287
  C      -9.183813      2.963094      1.381736
  C      -8.587548      3.798382      2.321293
  C      -8.142776      3.238501      3.512657
  F      -7.664868      4.070881      4.465859
  C      -8.222145      1.866678      3.785311
  C      -7.686973      1.271562      5.050173
  O      -8.385820      0.555706      5.768738
  N      -6.373557      1.598419      5.354410
  C      -5.926397      1.442915      6.634132
  C      -8.901318      1.069942      2.864208
  H      -9.209604     -1.956806     -0.443786
  H      -7.979400     -1.658459     -1.713663
  H      -7.891890     -3.120063     -0.669983
  H      -9.127386     -2.853231      1.643501
  H      -9.049133     -3.463199      4.059439
  H      -2.231512     -1.094396      4.475176
  H      -5.457518     -0.645935      2.097146
  H      -6.117192     13.411093      1.888970
  H      -5.536639     12.986181      0.271047
  H      -7.252315     13.456110      0.502762
  H      -4.185716     12.019224      1.979420
  H      -2.565615     10.389566      2.942088
  H      -5.371695      4.367018      2.746342
  H      -7.120677      8.870801      1.686981
  H     -10.861984      0.381014     -1.256244
  H      -9.378883      1.392938     -1.192855
  H     -10.936592      2.086529     -0.715528
  H      -9.524078      3.391766      0.439488
  H      -8.444527      4.865870      2.150846
  H      -6.577145      1.170182      7.474252
  H      -9.049980      0.011844      3.078171
  N      -4.282362      2.169884      2.602199
  N      -4.110686      2.262221      1.486208
88
Coordinates from ORCA-job orca E -6723.650438134800
  N      -2.492357      1.061924      4.370236
  Mo     -4.345311      2.053350      4.590227
  N      -4.657795      1.711358      6.656753
  C      -3.769252      1.991815      7.753162
  C      -2.417963      2.278896      7.102696
  N      -2.575306      3.104045      5.864685
  C      -1.347053      3.027838      5.030335
  C      -1.160800      1.596738      4.512550
  C      -2.936985      4.517982      6.177507
  C      -4.428151      4.734420      5.954463
  N      -4.745339      4.089704      4.681256
  H      -0.632807      1.631131      3.545596
  H      -0.556755      0.978341      5.196342
  H      -1.505359      3.711179      4.185740
  H      -0.463392      3.373946      5.593925
  H      -5.028542      4.275714      6.752088
  H      -4.653975      5.808810      5.916511
  H      -2.631600      4.766324      7.205513
  H      -2.384492      5.171081      5.489046
  H      -3.672259      1.148696      8.456433
  H      -4.129837      2.862626      8.327823
  H      -1.965280      1.325291      6.809721
  H      -1.730009      2.788133      7.797412
  C      -8.170546     -2.155498     -0.672619
  C      -7.329616     -1.346574      0.285426
  O      -6.674124     -0.379989     -0.098721
  C      -7.302583     -1.756822      1.722098
  C      -8.293339     -2.571939      2.291773
  C      -8.248169     -2.899696      3.644876
  C      -7.168328     -2.470783      4.407322
  F      -7.130335     -2.816581      5.708292
  C      -6.136706     -1.685142      3.869481
  C      -4.850481     -1.455794      4.593625
  O      -4.334319     -2.350025      5.268091
  N      -4.229826     -0.238686      4.355174
  C      -2.885296     -0.186016      4.398558
  C      -6.252239     -1.301314      2.530167
  C      -6.360611     12.976428      1.034981
  C      -6.776113     11.540002      1.269035
  O      -7.920809     11.169184      1.026356
  C      -5.757859     10.584941      1.806087
  C      -4.446096     10.979893      2.120372
  C      -3.535644     10.057129      2.623877
  C      -3.942785      8.740806      2.824173
  F      -3.010674      7.877093      3.288780
  C      -5.242411      8.299552      2.528300
  C      -5.735475      6.888378      2.709553
  O      -6.660220      6.470742      2.000272
  N      -5.144827      6.198240      3.744469
  C      -5.125504      4.887534      3.669649
  C      -6.125625      9.248792      2.005249
  C     -10.267739      1.150088     -0.738935
  C     -10.044577      0.677914      0.677950
  O     -10.397513     -0.447876      1.029817
  C      -9.359418      1.591627      1.635486
  C      -9.173355      2.958268      1.365041
  C      -8.597907      3.797582      2.314038
  C      -8.162461      3.238827      3.509370
  F      -7.702390      4.071979      4.470229
  C      -8.231431      1.865593      3.777819
  C      -7.698531      1.275145      5.045999
  O      -8.398573      0.563001      5.767243
  N      -6.385423      1.602978      5.348945
  C      -5.933943      1.447791      6.627379
  C      -8.889205      1.063793      2.846183
  H      -9.236467     -2.035009     -0.426158
  H      -7.992484     -1.804110     -1.694762
  H      -7.933695     -3.226809     -0.595011
  H      -9.133455     -2.921176      1.692356
  H      -9.033369     -3.490142      4.116859
  H      -2.232289     -1.066406      4.458425
  H      -5.480743     -0.671738      2.084692
  H      -6.021343     13.441006      1.973444
  H      -5.521817     13.032232      0.324699
  H      -7.214483     13.535931      0.638796
  H      -4.123840     12.010283      1.969143
  H      -2.508613     10.336679      2.860277
  H      -5.398770      4.378420      2.736998
  H      -7.137514      8.930239      1.751216
  H     -10.778519      0.363612     -1.304536
  H      -9.301787      1.382251     -1.213562
  H     -10.870788      2.069696     -0.766702
  H      -9.506472      3.385110      0.418954
  H      -8.465045      4.867042      2.149309
  H      -6.579350      1.168355      7.469409
  H      -9.027192      0.003499      3.053863
  N      -4.312782      2.181443      2.588759
  N      -4.145868      2.269500      1.471686
88
Coordinates from ORCA-job orca E -6723.650480172904
  N      -2.495131      1.052505      4.359308
  Mo     -4.344963      2.049308      4.580329
  N      -4.654479      1.713042      6.648686
  C      -3.763267      1.991873      7.743346
  C      -2.412757      2.275149      7.089154
  N      -2.570832      3.098511      5.849762
  C      -1.343367      3.016826      5.015014
  C      -1.161941      1.584141      4.499488
  C      -2.928398      4.513712      6.160399
  C      -4.418639      4.733323      5.938369
  N      -4.737982      4.087946      4.665924
  H      -0.635201      1.616250      3.531694
  H      -0.558540      0.964889      5.182996
  H      -1.498713      3.699045      4.168959
  H      -0.458402      3.360823      5.577851
  H      -5.020169      4.276841      6.736580
  H      -4.642120      5.808256      5.899697
  H      -2.621418      4.763279      7.187596
  H      -2.375077      5.164066      5.469932
  H      -3.666816      1.148290      8.446160
  H      -4.120709      2.863595      8.318623
  H      -1.963415      1.320063      6.796293
  H      -1.721559      2.784063      7.780822
  C      -8.182899     -2.238687     -0.647639
  C      -7.324966     -1.422341      0.289007
  O      -6.645479     -0.483824     -0.121707
  C      -7.310186     -1.790725      1.737020
  C      -8.319881     -2.567605      2.326484
  C      -8.285551     -2.857483      3.688460
  C      -7.199186     -2.429375      4.441915
  F      -7.171710     -2.738193      5.752217
  C      -6.150700     -1.679502      3.885661
  C      -4.862371     -1.454189      4.606531
  O      -4.355227     -2.342800      5.295394
  N      -4.235553     -0.243682      4.353620
  C      -2.891239     -0.194802      4.393909
  C      -6.253940     -1.332704      2.535437
  C      -6.395691     12.987763      1.079461
  C      -6.799182     11.545878      1.300370
  O      -7.940105     11.167193      1.052104
  C      -5.773769     10.595119      1.831382
  C      -4.466566     10.998934      2.153980
  C      -3.548731     10.079254      2.649750
  C      -3.944246      8.757064      2.834484
  F      -3.006342      7.896619      3.294032
  C      -5.238324      8.307180      2.529622
  C      -5.716720      6.888938      2.691514
  O      -6.626553      6.467964      1.965009
  N      -5.131299      6.197195      3.728427
  C      -5.112692      4.886180      3.652855
  C      -6.129124      9.253446      2.014545
  C     -10.219303      1.167946     -0.770824
  C     -10.013993      0.697784      0.649447
  O     -10.379315     -0.424121      1.000944
  C      -9.334664      1.610613      1.612328
  C      -9.152608      2.978660      1.347199
  C      -8.587194      3.818006      2.302321
  C      -8.156567      3.257489      3.498404
  F      -7.705648      4.088499      4.465604
  C      -8.221229      1.883102      3.762297
  C      -7.695652      1.294404      5.034504
  O      -8.404007      0.592251      5.757446
  N      -6.380230      1.610734      5.339619
  C      -5.931981      1.455953      6.619993
  C      -8.869388      1.080401      2.824268
  H      -9.246432     -2.082176     -0.411184
  H      -7.990733     -1.924661     -1.679458
  H      -7.973594     -3.312645     -0.535404
  H      -9.164790     -2.916030      1.733989
  H      -9.084335     -3.417563      4.174379
  H      -2.239872     -1.076187      4.456489
  H      -5.468654     -0.732454      2.073825
  H      -6.061213     13.446556      2.022604
  H      -5.556463     13.056546      0.370887
  H      -7.253665     13.543464      0.686962
  H      -4.153627     12.033838      2.014590
  H      -2.524883     10.365759      2.891747
  H      -5.383868      4.377940      2.719205
  H      -7.136712      8.927719      1.752216
  H     -10.723142      0.380775     -1.341667
  H      -9.247772      1.399985     -1.233830
  H     -10.822406      2.087210     -0.806667
  H      -9.481378      3.406654      0.400141
  H      -8.457839      4.888369      2.140632
  H      -6.579852      1.181756      7.461646
  H      -9.004850      0.018376      3.027031
  N      -4.322203      2.164306      2.577546
  N      -4.158141      2.241946      1.459376
88
Coordinates from ORCA-job orca E -6723.650507994379
  N      -2.505389      1.057529      4.342073
  Mo     -4.354256      2.054488      4.573936
  N      -4.654018      1.714266      6.643488
  C      -3.756953      1.988259      7.734577
  C      -2.409301      2.271323      7.074416
  N      -2.572276      3.099125      5.838453
  C      -1.349069      3.019503      4.997722
  C      -1.171272      1.588237      4.476966
  C      -2.927864      4.512984      6.155855
  C      -4.418551      4.734662      5.940001
  N      -4.742559      4.094371      4.666048
  H      -0.649201      1.622764      3.506779
  H      -0.564781      0.966883      5.155837
  H      -1.508172      3.704711      4.154806
  H      -0.461047      3.360921      5.557386
  H      -5.018676      4.276761      6.738372
  H      -4.640558      5.810119      5.905578
  H      -2.617239      4.758534      7.182947
  H      -2.376730      5.166098      5.466256
  H      -3.658384      1.141948      8.433763
  H      -4.109996      2.858506      8.314698
  H      -1.963182      1.316297      6.776586
  H      -1.713867      2.777121      7.764128
  C      -8.200730     -2.283681     -0.633908
  C      -7.335893     -1.461716      0.291548
  O      -6.651446     -0.532261     -0.131224
  C      -7.320858     -1.813581      1.743884
  C      -8.332651     -2.580891      2.342737
  C      -8.297233     -2.856429      3.707663
  C      -7.208057     -2.423595      4.455025
  F      -7.177127     -2.721243      5.767738
  C      -6.159106     -1.681608      3.889511
  C      -4.869754     -1.449431      4.606712
  O      -4.357757     -2.335017      5.295968
  N      -4.245448     -0.239437      4.345228
  C      -2.901312     -0.189556      4.380195
  C      -6.262603     -1.349140      2.535768
  C      -6.391874     13.000839      1.085321
  C      -6.795178     11.558842      1.305700
  O      -7.932656     11.177514      1.045712
  C      -5.773521     10.610481      1.848130
  C      -4.470034     11.016571      2.182520
  C      -3.554066     10.097749      2.683648
  C      -3.948295      8.774245      2.861896
  F      -3.012102      7.913565      3.324854
  C      -5.239132      8.322735      2.546521
  C      -5.714911      6.902280      2.698834
  O      -6.617677      6.482867      1.962309
  N      -5.133909      6.207444      3.736083
  C      -5.115998      4.896882      3.656037
  C      -6.127849      9.267820      2.026290
  C     -10.182679      1.151924     -0.783591
  C      -9.996815      0.692550      0.643026
  O     -10.374319     -0.423152      1.000883
  C      -9.319686      1.608740      1.604693
  C      -9.128797      2.974170      1.332079
  C      -8.565873      3.816984      2.285674
  C      -8.145782      3.261809      3.487831
  F      -7.693914      4.095917      4.452102
  C      -8.219369      1.889528      3.760318
  C      -7.701182      1.305914      5.038030
  O      -8.413403      0.610635      5.763547
  N      -6.384259      1.616752      5.340452
  C      -5.932066      1.460098      6.619443
  C      -8.865923      1.084246      2.823507
  H      -9.262557     -2.110746     -0.400374
  H      -8.004965     -1.986118     -1.669933
  H      -8.003673     -3.358071     -0.505870
  H      -9.179256     -2.932012      1.754060
  H      -9.096909     -3.408936      4.200760
  H      -2.248480     -1.070137      4.440659
  H      -5.476345     -0.755499      2.067249
  H      -6.068101     13.463683      2.030177
  H      -5.545277     13.068279      0.385395
  H      -7.246501     13.553626      0.681539
  H      -4.158585     12.052525      2.047527
  H      -2.532637     10.385704      2.933790
  H      -5.386164      4.392182      2.720051
  H      -7.132228      8.940758      1.753748
  H     -10.682082      0.362342     -1.354914
  H      -9.204842      1.377788     -1.236172
  H     -10.782693      2.072565     -0.832742
  H      -9.448242      3.397383      0.379776
  H      -8.428774      4.885483      2.117184
  H      -6.578278      1.185598      7.462341
  H      -9.009099      0.024512      3.032489
  N      -4.344326      2.170438      2.571250
  N      -4.185728      2.244699      1.452074
88
Coordinates from ORCA-job orca E -6723.650547200521
  N      -2.503190      1.052662      4.341931
  Mo     -4.350301      2.053737      4.571635
  N      -4.651641      1.713735      6.640533
  C      -3.753942      1.985906      7.731610
  C      -2.405881      2.268151      7.071895
  N      -2.566432      3.095497      5.834827
  C      -1.342868      3.012872      4.994974
  C      -1.168002      1.580657      4.475532
  C      -2.919474      4.510010      6.151684
  C      -4.410600      4.733511      5.939532
  N      -4.736801      4.094753      4.665304
  H      -0.645649      1.612324      3.505439
  H      -0.562727      0.959219      5.155458
  H      -1.500233      3.697923      4.151615
  H      -0.454398      3.352731      5.554873
  H      -5.010652      4.276633      6.738390
  H      -4.630990      5.809362      5.905848
  H      -2.605597      4.756468      7.177614
  H      -2.369802      5.162052      5.459875
  H      -3.655643      1.138158      8.429107
  H      -4.105897      2.855288      8.313612
  H      -1.960036      1.312532      6.775727
  H      -1.710918      2.774256      7.761838
  C      -8.227486     -2.307676     -0.621660
  C      -7.347119     -1.488708      0.291973
  O      -6.652266     -0.572586     -0.142884
  C      -7.331758     -1.826045      1.747989
  C      -8.346672     -2.582692      2.355438
  C      -8.309773     -2.846605      3.722666
  C      -7.216181     -2.413264      4.463658
  F      -7.181178     -2.701835      5.778372
  C      -6.165340     -1.681172      3.889357
  C      -4.873152     -1.449208      4.602319
  O      -4.362528     -2.335030      5.292322
  N      -4.246636     -0.240367      4.340438
  C      -2.902060     -0.193239      4.377945
  C      -6.269365     -1.359579      2.533183
  C      -6.411505     12.998167      1.084975
  C      -6.807165     11.553756      1.303254
  O      -7.939526     11.164561      1.032561
  C      -5.784236     10.612277      1.855168
  C      -4.486279     11.026717      2.200292
  C      -3.567772     10.113269      2.706842
  C      -3.954363      8.786730      2.879172
  F      -3.015634      7.930607      3.345639
  C      -5.239851      8.327244      2.553593
  C      -5.707314      6.902685      2.698511
  O      -6.601943      6.480937      1.953241
  N      -5.128936      6.208625      3.737524
  C      -5.108565      4.898281      3.655876
  C      -6.131095      9.266887      2.028261
  C     -10.157220      1.163370     -0.797476
  C      -9.977848      0.701616      0.629489
  O     -10.361011     -0.412415      0.986030
  C      -9.303074      1.616757      1.594209
  C      -9.110671      2.982182      1.322734
  C      -8.552674      3.824890      2.279076
  C      -8.138621      3.269653      3.483127
  F      -7.691571      4.103551      4.450098
  C      -8.213116      1.897429      3.755379
  C      -7.700739      1.314014      5.035863
  O      -8.417745      0.626736      5.763879
  N      -6.382630      1.619574      5.337705
  C      -5.930582      1.464488      6.616726
  C      -8.855210      1.092328      2.815407
  H      -9.285349     -2.108470     -0.390213
  H      -8.026764     -2.027871     -1.661684
  H      -8.053666     -3.384014     -0.478631
  H      -9.195942     -2.934279      1.770601
  H      -9.111095     -3.390581      4.222560
  H      -2.250876     -1.075123      4.437371
  H      -5.480786     -0.774579      2.057831
  H      -6.098878     13.465486      2.031308
  H      -5.559287     13.069248      0.392166
  H      -7.266095     13.544386      0.672273
  H      -4.181715     12.065340      2.070064
  H      -2.550265     10.407732      2.965217
  H      -5.375831      4.393817      2.718709
  H      -7.131203      8.934314      1.747191
  H     -10.649663      0.373278     -1.374082
  H      -9.178248      1.395942     -1.244026
  H     -10.762217      2.080835     -0.846139
  H      -9.425909      3.405572      0.369121
  H      -8.414650      4.893257      2.110764
  H      -6.578344      1.193324      7.459622
  H      -8.999903      0.032924      3.024043
  N      -4.337397      2.169200      2.568765
  N      -4.176161      2.234731      1.449475
88
Coordinates from ORCA-job orca E -6723.650603658268
  N      -2.500829      1.047517      4.343746
  Mo     -4.345858      2.052708      4.570422
  N      -4.649351      1.711652      6.637954
  C      -3.751389      1.983948      7.728899
  C      -2.403333      2.267542      7.069740
  N      -2.562018      3.092983      5.830516
  C      -1.337467      3.007035      4.992141
  C      -1.164777      1.573502      4.474984
  C      -2.912722      4.508688      6.145390
  C      -4.404940      4.732749      5.939344
  N      -4.734192      4.094588      4.665347
  H      -0.642691      1.601590      3.504716
  H      -0.560066      0.952813      5.156216
  H      -1.492891      3.691257      4.147711
  H      -0.449026      3.346146      5.552469
  H      -5.002965      4.276453      6.739801
  H      -4.624868      5.808655      5.906247
  H      -2.593039      4.758058      7.168892
  H      -2.366656      5.158598      5.448712
  H      -3.651340      1.134913      8.424584
  H      -4.103962      2.851517      8.313001
  H      -1.955714      1.311954      6.776138
  H      -1.710068      2.775884      7.759690
  C      -8.250164     -2.327516     -0.610388
  C      -7.360930     -1.508120      0.294236
  O      -6.662399     -0.599191     -0.150005
  C      -7.344128     -1.833944      1.753139
  C      -8.359853     -2.583539      2.367883
  C      -8.320569     -2.839024      3.736775
  C      -7.223341     -2.404913      4.471899
  F      -7.184745     -2.684290      5.788771
  C      -6.172359     -1.679661      3.890064
  C      -4.876561     -1.448322      4.597593
  O      -4.364238     -2.337098      5.282397
  N      -4.247985     -0.241009      4.334716
  C      -2.902637     -0.197292      4.373992
  C      -6.278272     -1.365248      2.532507
  C      -6.430415     12.995694      1.090569
  C      -6.818588     11.548484      1.303730
  O      -7.946697     11.152867      1.024473
  C      -5.793216     10.611919      1.859420
  C      -4.500431     11.033847      2.214187
  C      -3.579506     10.125208      2.724992
  C      -3.958683      8.795793      2.890948
  F      -3.017687      7.944432      3.361274
  C      -5.239040      8.328579      2.555319
  C      -5.699456      6.900497      2.694850
  O      -6.585624      6.475785      1.941015
  N      -5.125545      6.208635      3.737727
  C      -5.104579      4.897844      3.655953
  C      -6.132876      9.263672      2.026256
  C     -10.126882      1.170474     -0.811435
  C      -9.963437      0.711999      0.618643
  O     -10.361230     -0.396058      0.977235
  C      -9.288361      1.624884      1.585202
  C      -9.092923      2.989938      1.314030
  C      -8.539994      3.832682      2.273209
  C      -8.133022      3.277636      3.479631
  F      -7.690111      4.111510      4.448982
  C      -8.208917      1.905630      3.751666
  C      -7.701531      1.323398      5.035212
  O      -8.423540      0.645698      5.766786
  N      -6.381387      1.621835      5.335571
  C      -5.929348      1.468438      6.614549
  C      -8.846957      1.100710      2.808878
  H      -9.305364     -2.112589     -0.380184
  H      -8.047161     -2.059783     -1.653080
  H      -8.090547     -3.404489     -0.456849
  H      -9.211150     -2.936177      1.786565
  H      -9.122286     -3.377026      4.242505
  H      -2.253721     -1.081041      4.430670
  H      -5.489119     -0.785966      2.051249
  H      -6.125282     13.464108      2.038636
  H      -5.575072     13.072185      0.402073
  H      -7.286025     13.537347      0.673911
  H      -4.202776     12.075191      2.089808
  H      -2.566017     10.425888      2.991850
  H      -5.368493      4.392464      2.718059
  H      -7.129468      8.926690      1.738669
  H     -10.610440      0.378250     -1.392627
  H      -9.144246      1.406778     -1.247441
  H     -10.735839      2.085139     -0.866852
  H      -9.403746      3.413555      0.359112
  H      -8.400751      4.900766      2.104554
  H      -6.578774      1.202416      7.457904
  H      -8.993601      0.041543      3.017571
  N      -4.327588      2.165455      2.566996
  N      -4.164536      2.215501      1.447219
88
Coordinates from ORCA-job orca E -6723.650669393271
  N      -2.499601      1.048118      4.343103
  Mo     -4.344311      2.052840      4.569683
  N      -4.647979      1.706486      6.635569
  C      -3.749751      1.980471      7.726015
  C      -2.402826      2.268689      7.066574
  N      -2.563059      3.093877      5.827023
  C      -1.338012      3.009206      4.988745
  C      -1.163997      1.575705      4.471428
  C      -2.914173      4.509648      6.142367
  C      -4.407507      4.731798      5.941688
  N      -4.738347      4.094544      4.667452
  H      -0.643713      1.603488      3.500265
  H      -0.557335      0.956214      5.152110
  H      -1.494239      3.693540      4.144531
  H      -0.450121      3.349185      5.549292
  H      -5.002326      4.273648      6.743286
  H      -4.629082      5.807301      5.910136
  H      -2.589549      4.760588      7.163965
  H      -2.372446      5.159394      5.442156
  H      -3.645679      1.130436      8.419920
  H      -4.104707      2.845420      8.312351
  H      -1.951976      1.314583      6.772918
  H      -1.711309      2.779228      7.756599
  C      -8.263784     -2.332717     -0.603735
  C      -7.375890     -1.509248      0.298280
  O      -6.683416     -0.596884     -0.148432
  C      -7.353790     -1.833816      1.757478
  C      -8.366160     -2.583982      2.376649
  C      -8.322155     -2.838040      3.745755
  C      -7.222999     -2.401969      4.476485
  F      -7.179593     -2.678300      5.794137
  C      -6.174583     -1.677372      3.890015
  C      -4.874562     -1.447309      4.591012
  O      -4.360685     -2.337597      5.272597
  N      -4.246892     -0.240038      4.327975
  C      -2.900994     -0.196773      4.367159
  C      -6.285197     -1.363703      2.532627
  C      -6.431331     12.995385      1.092357
  C      -6.817874     11.547038      1.300884
  O      -7.944318     11.150276      1.016505
  C      -5.792981     10.611107      1.858447
  C      -4.503067     11.035246      2.220480
  C      -3.583294     10.128066      2.735780
  C      -3.960840      8.797912      2.898653
  F      -3.020842      7.948470      3.373905
  C      -5.238543      8.328068      2.555619
  C      -5.698276      6.899405      2.694201
  O      -6.580747      6.473463      1.936657
  N      -5.128240      6.209102      3.740463
  C      -5.108138      4.897554      3.658323
  C      -6.131306      9.261983      2.022373
  C     -10.101768      1.166709     -0.819601
  C      -9.954776      0.714187      0.614057
  O     -10.365191     -0.388401      0.975231
  C      -9.281936      1.626440      1.582295
  C      -9.086469      2.991688      1.311796
  C      -8.537945      3.834808      2.273462
  C      -8.134638      3.279741      3.481118
  F      -7.696079      4.113797      4.452690
  C      -8.209592      1.907704      3.751851
  C      -7.703344      1.325893      5.036325
  O      -8.427024      0.652665      5.770145
  N      -6.381536      1.619929      5.334622
  C      -5.928468      1.466253      6.612986
  C      -8.844211      1.102633      2.807116
  H      -9.319263     -2.122991     -0.369700
  H      -8.065495     -2.062933     -1.646681
  H      -8.099576     -3.409285     -0.451832
  H      -9.218945     -2.938070      1.798457
  H      -9.121559     -3.376212      4.254995
  H      -2.252445     -1.081040      4.420227
  H      -5.498452     -0.784034      2.048002
  H      -6.129889     13.462529      2.042112
  H      -5.574036     13.074636      0.406552
  H      -7.286537     13.536617      0.674246
  H      -4.207103     12.077372      2.098757
  H      -2.572047     10.430691      3.008981
  H      -5.370188      4.391798      2.720032
  H      -7.126143      8.924211      1.730168
  H     -10.575425      0.370652     -1.403779
  H      -9.115550      1.406804     -1.244819
  H     -10.715535      2.077755     -0.884550
  H      -9.394410      3.415412      0.356089
  H      -8.399287      4.903043      2.105068
  H      -6.578181      1.203144      7.457055
  H      -8.989962      0.043187      3.015220
  N      -4.322511      2.163438      2.565818
  N      -4.162272      2.199314      1.445089
88
Coordinates from ORCA-job orca E -6723.650742242397
  N      -2.498076      1.050519      4.343418
  Mo     -4.343164      2.052728      4.570240
  N      -4.647268      1.699702      6.634418
  C      -3.749734      1.976783      7.724794
  C      -2.404018      2.270523      7.065327
  N      -2.567090      3.095848      5.826139
  C      -1.341261      3.014462      4.987955
  C      -1.163714      1.581608      4.469813
  C      -2.920159      4.511278      6.142454
  C      -4.414111      4.730541      5.944033
  N      -4.744290      4.093331      4.669713
  H      -0.645341      1.611026      3.497697
  H      -0.554346      0.963529      5.149379
  H      -1.498903      3.699051      4.144214
  H      -0.454652      3.356301      5.549260
  H      -5.006500      4.269895      6.746037
  H      -4.638159      5.805502      5.913468
  H      -2.593026      4.762871      7.163044
  H      -2.381442      5.161520      5.440377
  H      -3.641556      1.126627      8.417988
  H      -4.108270      2.839588      8.312036
  H      -1.949482      1.318492      6.770618
  H      -1.714301      2.783133      7.755565
  C      -8.266859     -2.329275     -0.601308
  C      -7.383843     -1.501672      0.301413
  O      -6.698691     -0.583058     -0.143867
  C      -7.356631     -1.829765      1.759440
  C      -8.366370     -2.581494      2.380464
  C      -8.318685     -2.837735      3.748965
  C      -7.218318     -2.401822      4.477377
  F      -7.173133     -2.677611      5.795232
  C      -6.171555     -1.676248      3.889328
  C      -4.869430     -1.447023      4.586687
  O      -4.353270     -2.338488      5.265071
  N      -4.243541     -0.239283      4.323682
  C      -2.897443     -0.195064      4.361879
  C      -6.285977     -1.360557      2.532569
  C      -6.427736     12.993768      1.094151
  C      -6.814408     11.544727      1.297946
  O      -7.941060     11.149186      1.012840
  C      -5.789692     10.607313      1.853260
  C      -4.500366     11.031008      2.217852
  C      -3.581963     10.123392      2.734607
  C      -3.960263      8.793447      2.896930
  F      -3.021318      7.944465      3.374753
  C      -5.237393      8.323651      2.551200
  C      -5.698715      6.895919      2.691318
  O      -6.580207      6.468594      1.933674
  N      -5.131365      6.207388      3.740653
  C      -5.112541      4.895080      3.659389
  C      -6.128681      9.258233      2.016273
  C     -10.086695      1.166763     -0.822394
  C      -9.954768      0.718084      0.613666
  O     -10.375252     -0.380687      0.975301
  C      -9.284039      1.628606      1.584387
  C      -9.089450      2.994329      1.316038
  C      -8.542625      3.836383      2.279858
  C      -8.139508      3.279459      3.486780
  F      -7.701881      4.112045      4.460145
  C      -8.213562      1.907032      3.754696
  C      -7.704807      1.324605      5.037863
  O      -8.427706      0.651244      5.772474
  N      -6.381547      1.615711      5.334180
  C      -5.927978      1.460326      6.612050
  C      -8.847116      1.102897      2.808441
  H      -9.323659     -2.132276     -0.362445
  H      -8.074978     -2.052590     -1.643581
  H      -8.090987     -3.404963     -0.455440
  H      -9.220605     -2.935283      1.804387
  H      -9.116463     -3.377163      4.259415
  H      -2.248447     -1.079090      4.412086
  H      -5.501443     -0.778791      2.046890
  H      -6.125592     13.457106      2.045553
  H      -5.571070     13.075955      0.407940
  H      -7.283259     13.536847      0.679080
  H      -4.203397     12.072828      2.096190
  H      -2.571148     10.425642      3.009882
  H      -5.374289      4.388527      2.721566
  H      -7.123258      8.920894      1.722490
  H     -10.552664      0.368267     -1.409487
  H      -9.097271      1.409625     -1.238102
  H     -10.703616      2.075281     -0.895294
  H      -9.396429      3.419302      0.360526
  H      -8.405171      4.904998      2.113317
  H      -6.577591      1.198810      7.456638
  H      -8.991466      0.042780      3.014517
  N      -4.318170      2.160652      2.565986
  N      -4.164101      2.183728      1.444068
88
Coordinates from ORCA-job orca E -6723.650816186178
  N      -2.500188      1.056236      4.337979
  Mo     -4.345900      2.054449      4.569389
  N      -4.647239      1.693454      6.632643
  C      -3.749164      1.973077      7.722059
  C      -2.405482      2.271578      7.060701
  N      -2.573771      3.098899      5.823550
  C      -1.348660      3.022939      4.983145
  C      -1.167316      1.591790      4.461682
  C      -2.929195      4.513240      6.143656
  C      -4.423365      4.729895      5.945764
  N      -4.752296      4.093589      4.671092
  H      -0.652429      1.625419      3.487843
  H      -0.553731      0.974353      5.137986
  H      -1.509597      3.708954      4.141209
  H      -0.462661      3.366411      5.544350
  H      -5.014134      4.266071      6.747263
  H      -4.649803      5.804414      5.916932
  H      -2.601634      4.762660      7.164553
  H      -2.391984      5.165756      5.442541
  H      -3.637092      1.123197      8.415006
  H      -4.110016      2.834552      8.309839
  H      -1.948947      1.321576      6.762637
  H      -1.715634      2.784539      7.750528
  C      -8.267595     -2.332847     -0.597891
  C      -7.391172     -1.498697      0.305064
  O      -6.713480     -0.574049     -0.139133
  C      -7.359239     -1.828758      1.762204
  C      -8.366802     -2.581277      2.385564
  C      -8.315656     -2.838038      3.753695
  C      -7.214015     -2.401640      4.479630
  F      -7.166601     -2.677980      5.797295
  C      -6.168492     -1.675681      3.889611
  C      -4.865218     -1.445899      4.584143
  O      -4.347061     -2.336008      5.262999
  N      -4.242232     -0.237278      4.319451
  C      -2.896243     -0.190481      4.354407
  C      -6.286836     -1.359690      2.533083
  C      -6.417149     12.997137      1.098386
  C      -6.806493     11.548278      1.298643
  O      -7.934242     11.155801      1.013837
  C      -5.783418     10.607815      1.851775
  C      -4.492947     11.028270      2.216331
  C      -3.576799     10.118093      2.732520
  C      -3.958395      8.789108      2.895137
  F      -3.021244      7.938279      3.373227
  C      -5.236711      8.322489      2.549667
  C      -5.701707      6.896641      2.690810
  O      -6.584481      6.469757      1.934685
  N      -5.135509      6.207701      3.741115
  C      -5.118705      4.895121      3.659899
  C      -6.125457      9.259658      2.014874
  C     -10.067597      1.162073     -0.825128
  C      -9.950094      0.716895      0.612968
  O     -10.376765     -0.379888      0.973901
  C      -9.285109      1.627707      1.587066
  C      -9.092031      2.993880      1.320263
  C      -8.547836      3.835715      2.285980
  C      -8.144965      3.277691      3.492517
  F      -7.708587      4.109296      4.467175
  C      -8.218248      1.904927      3.758659
  C      -7.707073      1.322306      5.040420
  O      -8.428474      0.647280      5.775320
  N      -6.382883      1.611900      5.334596
  C      -5.927971      1.453522      6.611626
  C      -8.849982      1.100859      2.811080
  H      -9.326130     -2.150875     -0.355124
  H      -8.082426     -2.050494     -1.639852
  H      -8.076768     -3.406713     -0.456478
  H      -9.222436     -2.935346      1.811850
  H      -9.111913     -3.378344      4.265562
  H      -2.245481     -1.073287      4.402362
  H      -5.503869     -0.776878      2.046098
  H      -6.113563     13.456397      2.051381
  H      -5.560989     13.080644      0.411795
  H      -7.272061     13.543320      0.686148
  H      -4.192514     12.068965      2.093706
  H      -2.565007     10.417511      3.007287
  H      -5.381544      4.389052      2.722282
  H      -7.120702      8.924235      1.720779
  H     -10.525995      0.361305     -1.415119
  H      -9.074948      1.407555     -1.231286
  H     -10.687096      2.068276     -0.905938
  H      -9.397343      3.419095      0.364313
  H      -8.411578      4.904735      2.120987
  H      -6.576300      1.191443      7.456943
  H      -8.993096      0.040236      3.015675
  N      -4.324518      2.159970      2.564948
  N      -4.182305      2.171980      1.441296
88
Coordinates from ORCA-job orca E -6723.650895369356
  N      -2.501545      1.060038      4.334333
  Mo     -4.347364      2.055480      4.569845
  N      -4.646997      1.688139      6.632691
  C      -3.748935      1.970610      7.721521
  C      -2.406582      2.270945      7.058585
  N      -2.578971      3.100197      5.823249
  C      -1.354433      3.028736      4.981090
  C      -1.169934      1.599173      4.456678
  C      -2.935978      4.513686      6.147134
  C      -4.429736      4.729218      5.946497
  N      -4.756244      4.093188      4.671704
  H      -0.657643      1.637017      3.481578
  H      -0.553080      0.981946      5.130103
  H      -1.517792      3.716061      4.140732
  H      -0.469083      3.373385      5.542588
  H      -5.021113      4.263579      6.746713
  H      -4.657361      5.803583      5.918362
  H      -2.610866      4.759487      7.169569
  H      -2.397397      5.168568      5.449299
  H      -3.635240      1.122272      8.416098
  H      -4.111081      2.832750      8.307622
  H      -1.950001      1.321923      6.757625
  H      -1.715657      2.783207      7.747839
  C      -8.263684     -2.332761     -0.598108
  C      -7.391061     -1.495131      0.305374
  O      -6.715679     -0.568108     -0.137396
  C      -7.357409     -1.827056      1.761771
  C      -8.365412     -2.578739      2.385509
  C      -8.312975     -2.836873      3.753149
  C      -7.210007     -2.402551      4.478395
  F      -7.162495     -2.681304      5.795425
  C      -6.163990     -1.676687      3.888470
  C      -4.861890     -1.446174      4.583977
  O      -4.342639     -2.334750      5.264216
  N      -4.240678     -0.236582      4.318883
  C      -2.894987     -0.187593      4.351192
  C      -6.283949     -1.359951      2.532144
  C      -6.411181     12.997091      1.096762
  C      -6.801453     11.548205      1.295102
  O      -7.929142     11.156577      1.009071
  C      -5.779656     10.606901      1.849166
  C      -4.488469     11.025749      2.213536
  C      -3.573523     10.114232      2.729559
  C      -3.956820      8.785737      2.892991
  F      -3.020326      7.933997      3.371061
  C      -5.235818      8.321012      2.548172
  C      -5.702473      6.896375      2.689378
  O      -6.586072      6.469397      1.934546
  N      -5.136160      6.206707      3.739671
  C      -5.120416      4.894394      3.659072
  C      -6.123029      9.259436      2.013066
  C     -10.061381      1.165479     -0.823310
  C      -9.950181      0.718740      0.614651
  O     -10.377676     -0.378780      0.972715
  C      -9.288718      1.628787      1.591960
  C      -9.095866      2.995220      1.326935
  C      -8.551567      3.835753      2.293607
  C      -8.147657      3.275845      3.498893
  F      -7.709579      4.105683      4.473982
  C      -8.221670      1.902693      3.763513
  C      -7.707710      1.318822      5.043116
  O      -8.427023      0.640219      5.777191
  N      -6.383241      1.608416      5.335972
  C      -5.927697      1.447125      6.612425
  C      -8.854216      1.099652      2.815303
  H      -9.323353     -2.162814     -0.352241
  H      -8.084037     -2.045947     -1.639890
  H      -8.060416     -3.404944     -0.460519
  H      -9.222359     -2.931010      1.812724
  H      -9.109467     -3.376817      4.264989
  H      -2.242593     -1.069180      4.398312
  H      -5.500552     -0.777449      2.045440
  H      -6.109405     13.454262      2.051460
  H      -5.553828     13.082125      0.411958
  H      -7.265258     13.544270      0.684145
  H      -4.185710     12.065635      2.089783
  H      -2.561019     10.411940      3.003470
  H      -5.384178      4.388753      2.721596
  H      -7.118325      8.924152      1.718446
  H     -10.516638      0.365128     -1.416290
  H      -9.067329      1.413147     -1.224748
  H     -10.681813      2.070925     -0.905550
  H      -9.400799      3.421229      0.371154
  H      -8.415225      4.905005      2.130465
  H      -6.574876      1.183447      7.458061
  H      -8.998239      0.038862      3.018629
  N      -4.332192      2.159163      2.565435
  N      -4.204112      2.161542      1.440041
88
Coordinates from ORCA-job orca E -6723.650979123343
  N      -2.503926      1.061744      4.329375
  Mo     -4.349076      2.056634      4.569282
  N      -4.647010      1.685969      6.632638
  C      -3.748338      1.970272      7.720618
  C      -2.406754      2.268828      7.055686
  N      -2.581698      3.099886      5.821723
  C      -1.358162      3.030800      4.977787
  C      -1.172778      1.602322      4.450949
  C      -2.938578      4.512942      6.149163
  C      -4.431550      4.729518      5.944484
  N      -4.756085      4.093718      4.669521
  H      -0.662229      1.643252      3.475011
  H      -0.553992      0.984551      5.122020
  H      -1.523036      3.719298      4.138708
  H      -0.472695      3.375479      5.539141
  H      -5.025102      4.263780      6.743165
  H      -4.658621      5.804082      5.916493
  H      -2.617414      4.754201      7.173838
  H      -2.396518      5.169932      5.456062
  H      -3.635211      1.124055      8.417825
  H      -4.109562      2.834735      8.303963
  H      -1.952643      1.319324      6.752532
  H      -1.713363      2.779221      7.743843
  C      -8.262796     -2.338869     -0.595605
  C      -7.390676     -1.498806      0.306357
  O      -6.713847     -0.573430     -0.137550
  C      -7.357406     -1.828803      1.763276
  C      -8.366999     -2.577982      2.387814
  C      -8.314319     -2.835076      3.755559
  C      -7.209921     -2.402475      4.480081
  F      -7.162078     -2.682537      5.796698
  C      -6.162933     -1.678058      3.889530
  C      -4.862408     -1.446439      4.586798
  O      -4.343128     -2.332813      5.269937
  N      -4.241624     -0.236550      4.320200
  C      -2.896258     -0.186300      4.350139
  C      -6.283334     -1.362660      2.532943
  C      -6.410328     12.999542      1.098081
  C      -6.800004     11.550356      1.295136
  O      -7.926665     11.157800      1.006374
  C      -5.778876     10.609605      1.851432
  C      -4.487479     11.028159      2.215781
  C      -3.572420     10.116104      2.730821
  C      -3.955606      8.787380      2.893600
  F      -3.018743      7.935006      3.370167
  C      -5.234841      8.323415      2.549320
  C      -5.701219      6.898804      2.688348
  O      -6.585283      6.472679      1.933598
  N      -5.133804      6.207139      3.736903
  C      -5.118422      4.895526      3.656213
  C      -6.121961      9.262221      2.014922
  C     -10.055890      1.168205     -0.824231
  C      -9.945642      0.718839      0.613055
  O     -10.370812     -0.380392      0.968544
  C      -9.286705      1.629002      1.592459
  C      -9.092805      2.995312      1.327802
  C      -8.548748      3.835368      2.294743
  C      -8.145638      3.274969      3.499981
  F      -7.706753      4.104227      4.474961
  C      -8.221237      1.901752      3.764932
  C      -7.707577      1.317156      5.044030
  O      -8.426395      0.636782      5.777150
  N      -6.383591      1.607682      5.337075
  C      -5.927702      1.444525      6.613196
  C      -8.854076      1.099027      2.816332
  H      -9.322882     -2.175173     -0.347971
  H      -8.086791     -2.051528     -1.637949
  H      -8.051979     -3.409695     -0.458352
  H      -9.224926     -2.928766      1.815631
  H      -9.111714     -3.373149      4.267951
  H      -2.242660     -1.066960      4.397982
  H      -5.498429     -0.782371      2.046002
  H      -6.112823     13.456307      2.054390
  H      -5.550423     13.086011      0.416736
  H      -7.263402     13.546026      0.682495
  H      -4.184295     12.068026      2.092753
  H      -2.559635     10.413249      3.004199
  H      -5.382547      4.390768      2.718321
  H      -7.116930      8.926162      1.719870
  H     -10.510716      0.369130     -1.419216
  H      -9.061272      1.416577     -1.224114
  H     -10.675755      2.074070     -0.905323
  H      -9.396720      3.421193      0.371618
  H      -8.411129      4.904545      2.132165
  H      -6.573892      1.178701      7.458900
  H      -9.000265      0.038486      3.019637
  N      -4.345436      2.157589      2.565081
  N      -4.234417      2.150684      1.437898
88
Coordinates from ORCA-job orca E -6723.651065273827
  N      -2.504058      1.060120      4.327901
  Mo     -4.348125      2.056921      4.569192
  N      -4.647147      1.686860      6.633395
  C      -3.748611      1.972532      7.721224
  C      -2.406484      2.266658      7.055746
  N      -2.580620      3.098052      5.821561
  C      -1.357188      3.028201      4.977782
  C      -1.172626      1.599674      4.450796
  C      -2.936124      4.511480      6.150111
  C      -4.428137      4.730613      5.940383
  N      -4.750823      4.094098      4.665317
  H      -0.661170      1.641006      3.475308
  H      -0.554594      0.981222      5.121894
  H      -1.521366      3.716829      4.138672
  H      -0.471577      3.372260      5.539365
  H      -5.025066      4.266852      6.737732
  H      -4.653320      5.805582      5.911201
  H      -2.619836      4.749376      7.177054
  H      -2.389177      5.169207      5.461620
  H      -3.638213      1.128830      8.421845
  H      -4.108051      2.840335      8.300793
  H      -1.955745      1.315453      6.752781
  H      -1.710999      2.775358      7.743030
  C      -8.262247     -2.345282     -0.594053
  C      -7.386421     -1.506091      0.305450
  O      -6.703598     -0.586540     -0.141221
  C      -7.356008     -1.832055      1.763719
  C      -8.368099     -2.578162      2.388287
  C      -8.316819     -2.833364      3.756505
  C      -7.211696     -2.402220      4.481265
  F      -7.164384     -2.682258      5.797854
  C      -6.163349     -1.679662      3.890537
  C      -4.864591     -1.447358      4.590586
  O      -4.346526     -2.332532      5.276031
  N      -4.242418     -0.237659      4.323866
  C      -2.897259     -0.187642      4.353670
  C      -6.282140     -1.366323      2.533459
  C      -6.416280     13.000952      1.099770
  C      -6.803244     11.550923      1.295482
  O      -7.928063     11.155597      1.003247
  C      -5.781539     10.612204      1.854271
  C      -4.490846     11.032481      2.219226
  C      -3.574226     10.121415      2.733373
  C      -3.955048      8.791735      2.894445
  F      -3.016863      7.939840      3.369438
  C      -5.233607      8.326423      2.549816
  C      -5.697488      6.900554      2.685961
  O      -6.581134      6.475120      1.930139
  N      -5.128814      6.207292      3.732332
  C      -5.112255      4.896485      3.651736
  C      -6.122343      9.264117      2.016323
  C     -10.061303      1.175019     -0.824549
  C      -9.944408      0.721371      0.611145
  O     -10.365082     -0.380011      0.964791
  C      -9.283870      1.630924      1.590649
  C      -9.087298      2.996799      1.325662
  C      -8.541967      3.836152      2.292121
  C      -8.140202      3.275573      3.497639
  F      -7.700019      4.104661      4.472114
  C      -8.218087      1.902490      3.763529
  C      -7.706100      1.316501      5.042697
  O      -8.425209      0.634767      5.774145
  N      -6.383191      1.608900      5.337567
  C      -5.927788      1.445339      6.613708
  C      -8.852599      1.100594      2.815153
  H      -9.321872     -2.180192     -0.346014
  H      -8.087003     -2.060314     -1.637248
  H      -8.051455     -3.415886     -0.454916
  H      -9.226279     -2.927689      1.815664
  H      -9.115774     -3.368886      4.269154
  H      -2.243527     -1.068109      4.403617
  H      -5.495122     -0.788898      2.046533
  H      -6.124367     13.458527      2.057426
  H      -5.553321     13.089276      0.422540
  H      -7.268774     13.545152      0.680020
  H      -4.189692     12.073230      2.098465
  H      -2.561957     10.419880      3.007167
  H      -5.374919      4.391893      2.713168
  H      -7.116540      8.926168      1.720927
  H     -10.520193      0.378537     -1.419837
  H      -9.067515      1.421676     -1.227969
  H     -10.678416      2.083063     -0.900633
  H      -9.390730      3.422693      0.369296
  H      -8.401898      4.904984      2.129408
  H      -6.573721      1.177372      7.458976
  H      -9.002138      0.040662      3.019127
  N      -4.357523      2.154162      2.565332
  N      -4.264105      2.137926      1.436639
88
Coordinates from ORCA-job orca E -6723.651145909476
  N      -2.504046      1.059057      4.324889
  Mo     -4.347468      2.057746      4.567189
  N      -4.647928      1.689147      6.632107
  C      -3.749224      1.974548      7.719922
  C      -2.406369      2.265181      7.054433
  N      -2.578660      3.096791      5.819863
  C      -1.355137      3.025511      4.976749
  C      -1.172052      1.596687      4.449778
  C      -2.932780      4.510598      6.148584
  C      -4.424047      4.732281      5.935615
  N      -4.745782      4.095662      4.659831
  H      -0.658731      1.637341      3.475234
  H      -0.555762      0.977363      5.121701
  H      -1.518177      3.714223      4.137454
  H      -0.469131      3.368539      5.538383
  H      -5.023483      4.270374      6.732060
  H      -4.647332      5.807574      5.905655
  H      -2.619754      4.746755      7.176966
  H      -2.382302      5.168432      5.463067
  H      -3.641059      1.131910      8.422126
  H      -4.106920      2.844237      8.297746
  H      -1.958183      1.312533      6.751971
  H      -1.709543      2.772620      7.741272
  C      -8.267883     -2.358085     -0.586497
  C      -7.386830     -1.519474      0.308601
  O      -6.699298     -0.606028     -0.143188
  C      -7.357882     -1.838740      1.768823
  C      -8.370930     -2.581665      2.395695
  C      -8.319994     -2.832423      3.764882
  C      -7.214319     -2.400129      4.488217
  F      -7.166457     -2.675740      5.805792
  C      -6.165779     -1.680168      3.894900
  C      -4.866785     -1.446732      4.594547
  O      -4.349111     -2.331027      5.281148
  N      -4.243507     -0.237947      4.325476
  C      -2.898485     -0.188307      4.355204
  C      -6.283780     -1.371059      2.536910
  C      -6.421822     13.006793      1.109789
  C      -6.806792     11.555925      1.302898
  O      -7.930654     11.159179      1.008787
  C      -5.783949     10.617645      1.860462
  C      -4.493815     11.038949      2.225906
  C      -3.575590     10.128302      2.737934
  C      -3.954411      8.797731      2.895986
  F      -3.015285      7.945685      3.368684
  C      -5.232484      8.331384      2.550703
  C      -5.694303      6.904071      2.683971
  O      -6.577307      6.479900      1.926378
  N      -5.125381      6.209536      3.728620
  C      -5.107303      4.899075      3.647082
  C      -6.123051      9.268622      2.019505
  C     -10.060670      1.176176     -0.831302
  C      -9.939375      0.721642      0.603988
  O     -10.358535     -0.379993      0.958087
  C      -9.276681      1.631119      1.582375
  C      -9.077902      2.996548      1.316408
  C      -8.532796      3.836156      2.282659
  C      -8.133960      3.276490      3.489526
  F      -7.695167      4.106500      4.464064
  C      -8.213231      1.903761      3.756729
  C      -7.704904      1.317621      5.037643
  O      -8.425823      0.636877      5.767879
  N      -6.383137      1.611616      5.335518
  C      -5.928447      1.448016      6.611828
  C      -8.847105      1.101773      2.808024
  H      -9.326453     -2.187072     -0.338285
  H      -8.092286     -2.077860     -1.630910
  H      -8.061757     -3.429075     -0.443432
  H      -9.229184     -2.932121      1.823789
  H      -9.119498     -3.365220      4.279560
  H      -2.244832     -1.068765      4.407449
  H      -5.496130     -0.796243      2.047981
  H      -6.132349     13.463976      2.068303
  H      -5.557549     13.096651      0.434386
  H      -7.274318     13.550021      0.688766
  H      -4.194921     12.080730      2.108370
  H      -2.563819     10.427867      3.012378
  H      -5.367656      4.394668      2.707604
  H      -7.116972      8.930093      1.724239
  H     -10.523323      0.381011     -1.425412
  H      -9.067013      1.419089     -1.237601
  H     -10.674286      2.086644     -0.905632
  H      -9.380042      3.421992      0.359431
  H      -8.390898      4.904624      2.118997
  H      -6.574622      1.178240      7.456391
  H      -8.998066      0.042140      3.012564
  N      -4.371574      2.149146      2.563652
  N      -4.297993      2.124598      1.433606
88
Coordinates from ORCA-job orca E -6723.651221909748
  N      -2.502397      1.059744      4.323187
  Mo     -4.346133      2.059610      4.565639
  N      -4.650170      1.694628      6.631346
  C      -3.752479      1.978743      7.720234
  C      -2.407856      2.265202      7.056645
  N      -2.576167      3.096696      5.821533
  C      -1.351686      3.023608      4.980499
  C      -1.169798      1.594574      4.453574
  C      -2.929544      4.510902      6.148973
  C      -4.419699      4.735422      5.930672
  N      -4.739358      4.098353      4.653761
  H      -0.651966      1.634251      3.481365
  H      -0.557446      0.973809      5.127795
  H      -1.512548      3.712327      4.140754
  H      -0.465619      3.365388      5.542825
  H      -5.022480      4.275806      6.725836
  H      -4.640866      5.811022      5.899070
  H      -2.621335      4.746250      7.179061
  H      -2.374437      5.168299      5.466811
  H      -3.647940      1.136882      8.423910
  H      -4.108713      2.850278      8.296223
  H      -1.961989      1.311011      6.755352
  H      -1.710521      2.771219      7.744024
  C      -8.265076     -2.367157     -0.583953
  C      -7.380448     -1.530403      0.309373
  O      -6.688074     -0.622311     -0.145574
  C      -7.354274     -1.844830      1.771022
  C      -8.367233     -2.587478      2.398166
  C      -8.318060     -2.835083      3.768168
  C      -7.214202     -2.399620      4.492168
  F      -7.167420     -2.671300      5.810688
  C      -6.165876     -1.679998      3.898326
  C      -4.866827     -1.445424      4.598216
  O      -4.350210     -2.329150      5.286059
  N      -4.242762     -0.237118      4.328476
  C      -2.898028     -0.187289      4.358774
  C      -6.281658     -1.374075      2.539486
  C      -6.421595     13.015200      1.122537
  C      -6.807253     11.564273      1.313773
  O      -7.932712     11.169292      1.023390
  C      -5.783048     10.623659      1.864981
  C      -4.491314     11.043126      2.226433
  C      -3.571918     10.131134      2.733838
  C      -3.951499      8.800786      2.890995
  F      -3.012195      7.946878      3.359676
  C      -5.231183      8.335986      2.549147
  C      -5.693595      6.908360      2.682738
  O      -6.579223      6.486140      1.926861
  N      -5.123303      6.212839      3.724943
  C      -5.102786      4.902535      3.642325
  C      -6.123211      9.274529      2.022679
  C     -10.078406      1.172948     -0.832837
  C      -9.944545      0.718587      0.601507
  O     -10.358157     -0.384262      0.958065
  C      -9.276894      1.628918      1.575699
  C      -9.075892      2.993653      1.307190
  C      -8.527942      3.833883      2.271454
  C      -8.129630      3.275842      3.479339
  F      -7.690416      4.107537      4.452442
  C      -8.210103      1.903711      3.748603
  C      -7.703255      1.316895      5.030052
  O      -8.424021      0.633018      5.757210
  N      -6.383532      1.615591      5.332355
  C      -5.930220      1.451386      6.608925
  C      -8.845987      1.101630      2.801693
  H      -9.322897     -2.190431     -0.336711
  H      -8.087366     -2.089728     -1.628715
  H      -8.064389     -3.438926     -0.438779
  H      -9.224049     -2.940669      1.825691
  H      -9.117512     -3.367651      4.283207
  H      -2.244386     -1.067606      4.414570
  H      -5.494332     -0.799592      2.049717
  H      -6.128316     13.470430      2.080770
  H      -5.559303     13.104897      0.444530
  H      -7.274879     13.560030      0.705204
  H      -4.192555     12.085076      2.110076
  H      -2.559072     10.429754      3.005477
  H      -5.360746      4.397995      2.702235
  H      -7.118705      8.937789      1.731029
  H     -10.551040      0.379586     -1.421502
  H      -9.086436      1.407183     -1.248631
  H     -10.684950      2.088258     -0.903615
  H      -9.378562      3.418264      0.350017
  H      -8.384322      4.901900      2.105942
  H      -6.576731      1.178002      7.452100
  H      -8.997653      0.042489      3.007754
  N      -4.389865      2.144679      2.562812
  N      -4.337136      2.111228      1.431751
