16
C8H8_01
  C                   1.918208   -4.392765    1.276465
  H                   1.587570   -5.076524    2.059141
  C                   1.074022   -3.450178    0.872795
  H                   0.091296   -3.405837    1.343657
  C                   1.297728   -2.496011   -0.227877
  H                   0.517190   -2.461551   -0.988799
  C                   3.247202   -4.672726    0.704317
  H                   3.422376   -5.705380    0.400394
  C                   2.305167   -1.636174   -0.326951
  H                   2.302824   -0.937533   -1.164403
  C                   4.254641   -3.812888    0.605243
  H                   5.208010   -4.181363    0.224791
  C                   4.244684   -2.407145    1.047674
  H                   5.054580   -2.117473    1.718187
  C                   3.400499   -1.464558    0.644004
  H                   3.558305   -0.446785    1.002703
16
C8H8_02
  C                  -0.047019   -0.041485    1.018050
  H                  -0.150714    0.764756    1.740257
  C                   0.361099    0.225011   -0.219073
  H                   0.598505    1.247589   -0.508485
  C                  -0.332665   -1.410139    1.463383
  H                  -0.635948   -1.560212    2.496754
  C                  -0.198436   -2.455958    0.653260
  H                  -0.384565   -3.462725    1.024155
  C                   0.489523   -0.838633   -1.267579
  H                   1.432148   -0.738127   -1.818484
  C                   0.182622   -2.309127   -0.789110
  H                   0.952211   -3.037711   -1.070247
  C                  -0.732991   -1.005362   -2.155486
  H                  -1.221769   -0.325847   -2.848846
  C                  -0.991605   -2.244491   -1.752299
  H                  -1.772029   -2.962381   -1.990972
16
C8H8_03
  C                  -0.981135    1.137407   -0.156684
  C                   0.000000    0.773755    0.914554
  C                   0.981135    1.137407   -0.156684
  C                   1.523440   -0.000000   -0.731191
  C                  -0.000000   -0.773755    0.914554
  C                  -0.981135   -1.137407   -0.156684
  C                  -1.523440    0.000000   -0.731191
  C                   0.981135   -1.137407   -0.156684
  H                  -1.268731    2.159153   -0.371016
  H                  -2.184353    0.000000   -1.591123
  H                  -1.268731   -2.159153   -0.371016
  H                   1.268731   -2.159153   -0.371016
  H                   2.184353   -0.000000   -1.591123
  H                   1.268731    2.159153   -0.371016
  H                   0.000000    1.310815    1.861634
  H                  -0.000000   -1.310815    1.861634
16
C8H8_04
  C                  -1.545700    0.673713   -0.140628
  C                  -0.169608    1.107727    0.288565
  C                   0.386168   -0.063262    1.148133
  C                  -0.236847   -1.180851    0.264123
  C                  -1.584778   -0.657746   -0.154775
  C                   0.948103    0.699237   -0.715789
  C                   1.703267   -0.093025    0.307618
  C                   0.903366   -0.817851   -0.731795
  H                   2.752633   -0.126933    0.566125
  H                   1.255951   -1.391790   -1.580047
  H                   0.284763   -0.071972    2.233616
  H                   1.334307    1.269097   -1.552059
  H                  -0.174975   -2.198760    0.649613
  H                  -0.048268    2.111820    0.695591
  H                  -2.335315    1.341072   -0.472104
  H                  -2.412081   -1.270417   -0.499652
16
C8H8_05
  C                  -0.983100    0.759678    0.750456
  C                  -0.974563   -0.775766    0.750496
  C                   0.221501   -1.342761    0.000090
  C                   1.518769   -0.658431    0.000538
  C                   1.511718    0.669640   -0.000605
  C                   0.207127    1.340068   -0.000101
  C                  -0.983275    0.759917   -0.750143
  C                  -0.974460   -0.775525   -0.750735
  H                  -1.567439    1.366696   -1.430112
  H                  -1.567052    1.366312    1.430738
  H                  -1.551260   -1.388483   -1.431478
  H                  -1.551512   -1.388870    1.430978
  H                   0.238567   -2.428507    0.000021
  H                   0.212487    2.425944   -0.000030
  H                   2.423101    1.260569   -0.000922
  H                   2.436403   -1.239612    0.000824
16
C8H8_06
  C                  -2.024806   -0.068859   -0.136187
  C                  -1.642780    1.313664   -0.466463
  C                  -0.434358    1.564247    0.046477
  C                   0.076807    0.342962    0.765644
  C                  -1.041120   -0.640187    0.565814
  C                   1.449886   -0.113071    0.263379
  C                   1.593082   -1.070190   -0.878042
  C                   1.881315   -1.546747    0.281793
  H                  -2.253750    2.005402   -1.037199
  H                   0.124127    2.491239   -0.031441
  H                   0.163739    0.573851    1.840652
  H                  -1.023328   -1.657681    0.941024
  H                  -2.961270   -0.536728   -0.422795
  H                   2.212562    0.661585    0.390866
  H                   1.493397   -1.209980   -1.943453
  H                   2.202872   -2.378579    0.889913
16
C8H8_07
  C                  -1.269403    0.023665   -0.741753
  C                  -1.269473    0.036709    0.773813
  C                  -0.811626    1.247226    0.005662
  C                   0.708936    1.302901    0.005628
  C                   1.254876    0.129316    0.773419
  C                   1.255306    0.116519   -0.741945
  C                   0.025596   -0.818180   -0.757506
  C                   0.025169   -0.804773    0.804366
  H                  -1.417071    2.145252   -0.002073
  H                  -2.101420    0.026958    1.469145
  H                  -2.101157    0.001882   -1.437042
  H                   1.246945    2.242924   -0.002034
  H                   2.085004    0.180952    1.469073
  H                   2.085780    0.156227   -1.437958
  H                   0.059424   -1.736054    1.365514
  H                   0.060181   -1.758973   -1.302577
16
C8H8_08
  C                   1.243733    1.373985    0.000000
  C                  -0.207913    1.563453    0.000000
  C                   0.413693    0.732952   -1.080616
  C                   0.216090   -0.748947   -0.782408
  C                   0.216090   -0.748947    0.782408
  C                   0.413693    0.732952    1.080616
  C                  -1.210950   -1.259747    0.664265
  C                  -1.210950   -1.259747   -0.664265
  H                   0.459114    1.119948   -2.094321
  H                   2.076994    2.059286    0.000000
  H                  -0.840438    2.436582    0.000000
  H                   0.459114    1.119948    2.094321
  H                   0.942326   -1.402438    1.274406
  H                   0.942326   -1.402438   -1.274406
  H                  -1.962904   -1.506213   -1.409247
  H                  -1.962904   -1.506213    1.409247
16
C8H8_09
  H                  -1.139888    0.649446   -0.182415
  C                  -0.749647    0.243474    0.752820
  C                   0.740972    0.423297    1.217963
  H                   1.489480    0.966645    0.638071
  C                  -0.600835   -1.300217    0.872717
  H                  -1.349344   -1.843565    1.452610
  C                   0.889784   -1.120394    1.337860
  H                   1.280025   -1.526366    2.273095
  C                  -1.110593    0.901940    2.063551
  H                  -2.069745    1.090766    2.539076
  C                   0.150697    1.054098    2.457133
  H                   0.608881    1.413906    3.374932
  C                  -0.010560   -1.931019   -0.366453
  H                  -0.468744   -2.290827   -1.284252
  C                   1.250730   -1.778861    0.027129
  H                   2.209881   -1.967686   -0.448396
16
C8H8_10
  H                  -1.068805    0.285924   -1.018216
  C                  -1.092793   -0.139436   -0.014112
  C                   0.100430    0.025232    0.972507
  H                   1.002487    0.571768    0.694437
  C                  -0.938418   -1.712955    0.061808
  C                   0.254805   -1.548287    1.048428
  C                  -1.922839    0.523193    1.055952
  H                  -2.985921    0.737510    1.132652
  C                  -0.901321    0.664165    1.900597
  H                  -0.824955    1.035729    2.919452
  H                  -0.823016   -2.219365   -0.897339
  H                   1.248276   -1.933521    0.815314
  C                  -1.634202   -2.418836    1.197901
  H                  -2.636223   -2.826906    1.304631
  C                  -0.612684   -2.277864    2.042546
  H                  -0.475257   -2.528687    3.091431
16
C8H8_11
  C                  -1.460014    0.000197    0.734577
  C                  -0.762040   -1.103688    0.000058
  C                   0.762040   -1.103688   -0.000058
  C                   1.460014   -0.000197    0.734577
  C                   0.762040    1.103688    0.000058
  C                  -0.762040    1.103688   -0.000058
  C                  -1.460014   -0.000197   -0.734577
  C                   1.460014    0.000197   -0.734577
  H                  -1.244168   -2.078751    0.000173
  H                  -2.265356   -0.000325   -1.454231
  H                  -2.265356    0.000325    1.454231
  H                  -1.244168    2.078751   -0.000173
  H                   1.244168    2.078751    0.000173
  H                   2.265356   -0.000325    1.454231
  H                   2.265356    0.000325   -1.454231
  H                   1.244168   -2.078751   -0.000173
16
C8H8_12
  C                   0.000000    1.104661    0.781204
  C                   0.000000    1.104664   -0.781199
  C                  -1.104661    0.000000   -0.781204
  C                  -1.104664    0.000000    0.781199
  C                  -0.000000   -1.104664   -0.781199
  C                  -0.000000   -1.104661    0.781204
  C                   1.104661   -0.000000   -0.781204
  C                   1.104664   -0.000000    0.781199
  H                   0.000000    1.994277   -1.410499
  H                  -1.994269    0.000000   -1.410510
  H                  -1.994277    0.000000    1.410499
  H                   0.000000    1.994269    1.410510
  H                   1.994269   -0.000000   -1.410510
  H                  -0.000000   -1.994277   -1.410499
  H                  -0.000000   -1.994269    1.410510
  H                   1.994277   -0.000000    1.410499
16
C8H8_13
  C                   1.242935    0.818364    0.409790
  H                   1.355130    1.692204    1.029467
  C                   1.278567   -0.692139    0.528114
  H                   1.677107   -1.275086    1.352177
  C                   0.054317   -0.885303   -0.390012
  H                   0.143398   -1.739322   -1.074739
  C                   0.651669    0.425721   -0.928307
  H                   0.349994    1.094654   -1.727804
  C                   2.062509    0.070429   -0.513808
  H                   3.063403    0.122146   -0.907966
  C                  -1.877444    0.489811    0.725950
  H                  -1.829103    1.261572    1.478707
  C                  -2.413214    0.021086   -0.345137
  H                  -3.138728    0.115808   -1.138713
  C                  -1.314494   -0.815718    0.245167
  H                  -1.593665   -1.727859    0.783260
16
C8H8_14
  C                   1.302921    0.068159   -0.000000
  C                   0.289995    0.734376    1.065148
  C                   0.289995    0.734376   -1.065148
  C                   0.351573   -0.685167   -1.064834
  C                   0.351573   -0.685167    1.064834
  C                  -0.749715   -1.132073   -0.000000
  C                  -1.739919   -0.064813   -0.000000
  C                  -0.845913    1.084149   -0.000000
  H                   0.885444   -1.315320   -1.764532
  H                   0.766207    1.408121   -1.765828
  H                   2.379921    0.114653   -0.000000
  H                   0.766207    1.408121    1.765828
  H                   0.885444   -1.315320    1.764532
  H                  -1.021212   -2.184473   -0.000000
  H                  -1.207895    2.108957   -0.000000
  H                  -2.814005   -0.111334   -0.000000
8
P8_01
  P                  -1.773565   -0.092923   -1.140230
  P                   1.105141    1.641180    0.000109
  P                  -1.105070    1.641222    0.000118
  P                  -1.773564   -0.093094    1.140215
  P                   1.773554   -0.093005   -1.140233
  P                  -0.000036   -1.455034   -1.099127
  P                  -0.000025   -1.455182    1.098940
  P                   1.773565   -0.093165    1.140207
8
P8_02
  P                  -2.192120   -1.007189   -0.326353
  P                   1.102226    1.093601   -1.206995
  P                  -0.249164    1.667166    0.486828
  P                  -2.191644    1.008202   -0.326026
  P                   1.101662   -1.093432   -1.207536
  P                  -0.249878   -1.667283    0.486093
  P                   0.426577   -0.000478    1.743292
  P                   2.252342   -0.000589    0.350697
8
P8_03
  P                  -0.508264    1.981954    0.000000
  P                  -1.659134   -1.581870    1.012185
  P                   0.532175    0.897149    1.604062
  P                   0.532175   -1.235065   -1.103508
  P                   0.532175   -1.235065    1.103508
  P                   1.697834    1.857617    0.000000
  P                  -1.659134   -1.581870   -1.012185
  P                   0.532175    0.897149   -1.604062
8
P8_04
  P                   2.014957    0.259937    0.000000
  P                  -1.194613   -1.545919    0.000000
  P                  -2.381963    0.220218    0.000000
  P                   0.588732    0.922172   -1.575114
  P                   0.612365   -1.214848   -1.256467
  P                   0.588732    0.922172    1.575114
  P                   0.612365   -1.214848    1.256467
  P                  -0.840574    1.651117    0.000000
8
P8_05
  P                  -2.125767    0.000191    1.099448
  P                  -1.115946   -1.616690    0.000253
  P                   2.125767   -0.000191    1.099448
  P                   1.115946    1.616690    0.000253
  P                  -2.125767   -0.000191   -1.099448
  P                   1.115946   -1.616690   -0.000253
  P                   2.125767    0.000191   -1.099448
  P                  -1.115946    1.616690   -0.000253
8
P8_06
  P                   2.280144   -1.011859    0.531878
  P                  -0.865494    2.248827   -0.921259
  P                  -0.214446   -0.619178   -0.219056
  P                   0.651067    1.228230    0.506448
  P                   0.611320   -2.344904    0.852154
  P                   1.303349   -1.865637   -1.194537
  P                  -2.234453    0.582780   -0.616353
  P                  -1.531489    1.781741    1.060727
8
P8_07
  P                  -1.201196    1.707684   -0.201059
  P                   0.000000    1.110481    1.549548
  P                   0.000000   -1.110481    1.549548
  P                   1.201196   -1.707684   -0.201059
  P                  -1.924564    0.000000   -1.147430
  P                   1.924564    0.000000   -1.147430
  P                   1.201196    1.707684   -0.201059
  P                  -1.201196   -1.707684   -0.201059
8
P8_08
  P                   1.808722   -1.320843    0.443530
  P                   1.896849    0.780839    1.155016
  P                   0.774464    1.110512   -0.727326
  P                  -3.257854   -0.276788   -0.568927
  P                  -0.049126   -0.961813   -0.754675
  P                  -2.361562    1.231913    0.378780
  P                  -1.631742   -0.807950    0.821025
  P                   2.820250    0.244131   -0.747421
8
P8_09
  P                  -0.345779    2.013071    0.000044
  P                   1.317850    1.129274   -1.108702
  P                   1.318018   -1.129170    1.108629
  P                  -0.345622   -2.013099    0.000013
  P                  -2.290163   -1.002602    0.000044
  P                  -2.290241    1.002423    0.000044
  P                   1.317964    1.129252    1.108567
  P                   1.317972   -1.129150   -1.108639
8
P8_10
  P                   0.470997   -2.456455   -0.089329
  P                  -0.546133    0.451345    1.810110
  P                   0.575634    0.866680   -1.172407
  P                  -1.466464    0.444108   -0.326212
  P                   1.433848    0.860923    0.990066
  P                  -0.353544   -1.222144   -1.463555
  P                   0.927061   -1.154643    1.662076
  P                  -1.041398    2.210183   -1.410748
8
P8_11
  P                   2.339973   -1.890877    0.997539
  P                  -2.551184    2.032239    0.000000
  P                   2.339973   -1.890877   -0.997539
  P                   0.158901    0.441588    0.000000
  P                   2.339956    0.071786    0.000000
  P                  -0.501065    2.392807    0.000000
  P                  -1.182338   -1.131798    0.000000
  P                  -2.944218   -0.024868    0.000000
8
P8_12
  P                   1.518562    0.094695    0.705238
  P                  -0.712292    2.037283    0.318368
  P                  -0.667241   -0.406079   -1.659747
  P                   0.758337    1.213826   -1.147369
  P                  -0.034302   -1.670978    0.146664
  P                   2.047245   -1.883755    0.260271
  P                  -2.130998    0.424449   -0.191301
  P                  -0.779311    0.190558    1.567877
8
P8_13
  P                   0.000000    1.601768    1.132082
  P                   1.601331   -0.000000    1.132641
  P                   1.601768   -0.000000   -1.132082
  P                   0.000000    1.601331   -1.132641
  P                  -0.000000   -1.601768    1.132082
  P                  -0.000000   -1.601331   -1.132641
  P                  -1.601768    0.000000   -1.132082
  P                  -1.601331   -0.000000    1.132641
