2
Ar-Dimer (Ar-Ar Dist = 3.385)
Ar       0.000000000     -1.692588165     -0.019017557
Ar       0.000000000      1.692588165      0.019017557
2
Ar-Dimer (Ar-Ar Dist = 3.485)
Ar       0.000000000     -1.742585009     -0.019579311
Ar       0.000000000      1.742585009      0.019579311
2
Ar-Dimer (Ar-Ar Dist = 3.585)
Ar       0.000000000     -1.792581853     -0.020141064
Ar       0.000000000      1.792581853      0.020141064
2
Ar-Dimer (Ar-Ar Dist = 3.685)
Ar       0.000000000     -1.842578697     -0.020702818
Ar       0.000000000      1.842578697      0.020702818
2
Ar-Dimer (Ar-Ar Dist = 3.785)
Ar       0.000000000     -1.892575542     -0.021264572
Ar       0.000000000      1.892575542      0.021264572
2
Ar-Dimer-Equilibrium (Ar-Ar Dist = 3.885)
Ar       0.000000000     -1.942570094     -0.021826300
Ar       0.000000000      1.942570094      0.021826300
2
Ar-Dimer (Ar-Ar Dist = 3.985)
Ar       0.000000000     -1.992569230     -0.022388080
Ar       0.000000000      1.992569230      0.022388080
2
Ar-Dimer (Ar-Ar Dist = 4.085)
Ar       0.000000000     -2.042566074     -0.022949833
Ar       0.000000000      2.042566074      0.022949833
2
Ar-Dimer (Ar-Ar Dist = 4.185)
Ar       0.000000000     -2.092562919     -0.023511587
Ar       0.000000000      2.092562919      0.023511587
2
Ar-Dimer (Ar-Ar Dist = 4.285)
Ar       0.000000000     -2.142559763     -0.024073341
Ar       0.000000000      2.142559763      0.024073341
2
Ar-Dimer (Ar-Ar Dist = 4.385)
Ar       0.000000000     -2.192556607     -0.024635095
Ar       0.000000000      2.192556607      0.024635095
2
Ar-Dimer (Ar-Ar Dist = 4.485)
Ar       0.000000000     -2.242553451     -0.025196849
Ar       0.000000000      2.242553451      0.025196849
2
Ar-Dimer (Ar-Ar Dist = 4.585)
Ar       0.000000000     -2.292550296     -0.025758602
Ar       0.000000000      2.292550296      0.025758602
2
Ar-Dimer (Ar-Ar Dist = 4.685)
Ar       0.000000000     -2.342547140     -0.026320356
Ar       0.000000000      2.342547140      0.026320356
2
Ar-Dimer (Ar-Ar Dist = 4.785)
Ar       0.000000000     -2.392543984     -0.026882110
Ar       0.000000000      2.392543984      0.026882110
2
Ar-Dimer (Ar-Ar Dist = 4.885)
Ar       0.000000000     -2.442540828     -0.027443864
Ar       0.000000000      2.442540828      0.027443864
2
Ar-Dimer (Ar-Ar Dist = 4.985)
Ar       0.000000000     -2.492537672     -0.028005617
Ar       0.000000000      2.492537672      0.028005617
2
Ar-Dimer (Ar-Ar Dist = 5.085)
Ar       0.000000000     -2.542534517     -0.028567371
Ar       0.000000000      2.542534517      0.028567371
2
Ar-Dimer (Ar-Ar Dist = 5.285)
Ar       0.000000000     -2.642528205     -0.029690879
Ar       0.000000000      2.642528205      0.029690879
2
Ar-Dimer (Ar-Ar Dist = 5.485)
Ar       0.000000000     -2.742521894     -0.030814386
Ar       0.000000000      2.742521894      0.030814386
2
Ar-Dimer (Ar-Ar Dist = 5.685)
Ar       0.000000000     -2.842515582     -0.031937894
Ar       0.000000000      2.842515582      0.031937894
2
Ar-Dimer (Ar-Ar Dist = 5.885)
Ar       0.000000000     -2.942509270     -0.033061402
Ar       0.000000000      2.942509270      0.033061402
2
Ar-Dimer (Ar-Ar Dist = 6.085)
Ar       0.000000000     -3.042502959     -0.034184909
Ar       0.000000000      3.042502959      0.034184909
2
Ar-Dimer (Ar-Ar Dist = 6.485)
Ar       0.000000000     -3.242490336     -0.036431924
Ar       0.000000000      3.242490336      0.036431924
2
Ar-Dimer (Ar-Ar Dist = 6.885)
Ar       0.000000000     -3.442477713     -0.038678940
Ar       0.000000000      3.442477713      0.038678940
2
Ar-Dimer (Ar-Ar Dist = 7.285)
Ar       0.000000000     -3.642465090     -0.040925955
Ar       0.000000000      3.642465090      0.040925955
2
Ar-Dimer (Ar-Ar Dist = 8.085)
Ar       0.000000000     -4.042439843     -0.045419985
Ar       0.000000000      4.042439843      0.045419985
2
Ar-Dimer (Ar-Ar Dist = 8.885)
Ar       0.000000000     -4.442414597     -0.049914015
Ar       0.000000000      4.442414597      0.049914015
2
Ar-Dimer (Ar-Ar Dist = 9.885)
Ar       0.000000000     -4.942383040     -0.055531553
Ar       0.000000000      4.942383040      0.055531553
2
Ar-Dimer (Ar-Ar Dist = 10.885)
Ar       0.000000000     -5.442351482     -0.061149091
Ar       0.000000000      5.442351482      0.061149091
2
Ar-Dimer (Ar-Ar Dist = 11.885)
Ar       0.000000000     -5.942319924     -0.066766629
Ar       0.000000000      5.942319924      0.066766629
10
CH4-Dimer (C-C Dist = 3.284)
C        0.000000192      0.000000000      1.641800000
H        0.000000016      0.000000000      2.729337604
H        1.025019777      0.000000000      1.278560829
H       -0.512509511      0.887692948      1.278560578
H       -0.512509511     -0.887692948      1.278560578
C       -0.000000192      0.000000000     -1.641800000
H       -0.000000016      0.000000000     -2.729337604
H       -1.025019777      0.000000000     -1.278560828
H        0.512509511     -0.887692948     -1.278560579
H        0.512509511      0.887692948     -1.278560578
10
CH4-Dimer (C-C Dist = 3.384)
C        0.000000198      0.000000000      1.691800000
H        0.000000022      0.000000000      2.779337604
H        1.025019783      0.000000000      1.328560829
H       -0.512509505      0.887692948      1.328560578
H       -0.512509505     -0.887692948      1.328560578
C       -0.000000198      0.000000000     -1.691800000
H       -0.000000022      0.000000000     -2.779337604
H       -1.025019783      0.000000000     -1.328560828
H        0.512509505     -0.887692948     -1.328560579
H        0.512509506      0.887692948     -1.328560578
10
CH4-Dimer (C-C Dist = 3.484)
C        0.000000204      0.000000000      1.741800000
H        0.000000028      0.000000000      2.829337604
H        1.025019789      0.000000000      1.378560829
H       -0.512509500      0.887692948      1.378560578
H       -0.512509499     -0.887692948      1.378560578
C       -0.000000204      0.000000000     -1.741800000
H       -0.000000028      0.000000000     -2.829337604
H       -1.025019789      0.000000000     -1.378560828
H        0.512509500     -0.887692948     -1.378560579
H        0.512509500      0.887692948     -1.378560578
10
CH4-Dimer (C-C Dist = 3.584)
C        0.000000210      0.000000000      1.791800000
H        0.000000033      0.000000000      2.879337604
H        1.025019795      0.000000000      1.428560829
H       -0.512509494      0.887692948      1.428560578
H       -0.512509494     -0.887692948      1.428560578
C       -0.000000210      0.000000000     -1.791800000
H       -0.000000034      0.000000000     -2.879337604
H       -1.025019795      0.000000000     -1.428560828
H        0.512509494     -0.887692948     -1.428560579
H        0.512509494      0.887692948     -1.428560578
10
CH4-Dimer (C-C Dist = 3.684)
C        0.000000216      0.000000000      1.841800000
H        0.000000039      0.000000000      2.929337604
H        1.025019801      0.000000000      1.478560829
H       -0.512509488      0.887692948      1.478560578
H       -0.512509488     -0.887692948      1.478560578
C       -0.000000216      0.000000000     -1.841800000
H       -0.000000040      0.000000000     -2.929337604
H       -1.025019800      0.000000000     -1.478560828
H        0.512509488     -0.887692948     -1.478560579
H        0.512509488      0.887692948     -1.478560578
10
CH4-Dimer-Equilibrium (C-C Dist = 3.784)
C        0.000000222      0.000000000      1.891800792
H        0.000000045      0.000000000      2.979338396
H        1.025019806      0.000000000      1.528561621
H       -0.512509482      0.887692948      1.528561370
H       -0.512509482     -0.887692948      1.528561370
C       -0.000000222      0.000000000     -1.891800792
H       -0.000000046      0.000000000     -2.979338396
H       -1.025019806      0.000000000     -1.528561620
H        0.512509482     -0.887692948     -1.528561371
H        0.512509482      0.887692948     -1.528561370
10
CH4-Dimer (C-C Dist = 3.884)
C        0.000000227      0.000000000      1.941800000
H        0.000000051      0.000000000      3.029337604
H        1.025019812      0.000000000      1.578560829
H       -0.512509476      0.887692948      1.578560578
H       -0.512509476     -0.887692948      1.578560578
C       -0.000000227      0.000000000     -1.941800000
H       -0.000000051      0.000000000     -3.029337604
H       -1.025019812      0.000000000     -1.578560828
H        0.512509476     -0.887692948     -1.578560579
H        0.512509476      0.887692948     -1.578560578
10
CH4-Dimer (C-C Dist = 3.984)
C        0.000000233      0.000000000      1.991800000
H        0.000000057      0.000000000      3.079337604
H        1.025019818      0.000000000      1.628560829
H       -0.512509470      0.887692948      1.628560578
H       -0.512509470     -0.887692948      1.628560578
C       -0.000000233      0.000000000     -1.991800000
H       -0.000000057      0.000000000     -3.079337604
H       -1.025019818      0.000000000     -1.628560828
H        0.512509470     -0.887692948     -1.628560579
H        0.512509470      0.887692948     -1.628560578
10
CH4-Dimer (C-C Dist = 4.084)
C        0.000000239      0.000000000      2.041800000
H        0.000000063      0.000000000      3.129337604
H        1.025019824      0.000000000      1.678560829
H       -0.512509464      0.887692948      1.678560578
H       -0.512509464     -0.887692948      1.678560578
C       -0.000000239      0.000000000     -2.041800000
H       -0.000000063      0.000000000     -3.129337604
H       -1.025019824      0.000000000     -1.678560828
H        0.512509464     -0.887692948     -1.678560579
H        0.512509465      0.887692948     -1.678560578
10
CH4-Dimer (C-C Dist = 4.184)
C        0.000000245      0.000000000      2.091800000
H        0.000000069      0.000000000      3.179337604
H        1.025019830      0.000000000      1.728560829
H       -0.512509459      0.887692948      1.728560578
H       -0.512509458     -0.887692948      1.728560578
C       -0.000000245      0.000000000     -2.091800000
H       -0.000000069      0.000000000     -3.179337604
H       -1.025019830      0.000000000     -1.728560828
H        0.512509459     -0.887692948     -1.728560579
H        0.512509459      0.887692948     -1.728560578
10
CH4-Dimer (C-C Dist = 4.284)
C        0.000000251      0.000000000      2.141800000
H        0.000000074      0.000000000      3.229337604
H        1.025019836      0.000000000      1.778560829
H       -0.512509453      0.887692948      1.778560578
H       -0.512509453     -0.887692948      1.778560578
C       -0.000000251      0.000000000     -2.141800000
H       -0.000000075      0.000000000     -3.229337604
H       -1.025019836      0.000000000     -1.778560828
H        0.512509453     -0.887692948     -1.778560579
H        0.512509453      0.887692948     -1.778560578
10
CH4-Dimer (C-C Dist = 4.384)
C        0.000000257      0.000000000      2.191800000
H        0.000000080      0.000000000      3.279337604
H        1.025019842      0.000000000      1.828560829
H       -0.512509447      0.887692948      1.828560578
H       -0.512509447     -0.887692948      1.828560578
C       -0.000000257      0.000000000     -2.191800000
H       -0.000000081      0.000000000     -3.279337604
H       -1.025019841      0.000000000     -1.828560828
H        0.512509447     -0.887692948     -1.828560579
H        0.512509447      0.887692948     -1.828560578
10
CH4-Dimer (C-C Dist = 4.484)
C        0.000000263      0.000000000      2.241800000
H        0.000000086      0.000000000      3.329337604
H        1.025019847      0.000000000      1.878560829
H       -0.512509441      0.887692948      1.878560578
H       -0.512509441     -0.887692948      1.878560578
C       -0.000000263      0.000000000     -2.241800000
H       -0.000000086      0.000000000     -3.329337604
H       -1.025019847      0.000000000     -1.878560828
H        0.512509441     -0.887692948     -1.878560579
H        0.512509441      0.887692948     -1.878560578
10
CH4-Dimer (C-C Dist = 4.584)
C        0.000000268      0.000000000      2.291800000
H        0.000000092      0.000000000      3.379337604
H        1.025019853      0.000000000      1.928560829
H       -0.512509435      0.887692948      1.928560578
H       -0.512509435     -0.887692948      1.928560578
C       -0.000000268      0.000000000     -2.291800000
H       -0.000000092      0.000000000     -3.379337604
H       -1.025019853      0.000000000     -1.928560828
H        0.512509435     -0.887692948     -1.928560579
H        0.512509435      0.887692948     -1.928560578
10
CH4-Dimer (C-C Dist = 4.684)
C        0.000000274      0.000000000      2.341800000
H        0.000000098      0.000000000      3.429337604
H        1.025019859      0.000000000      1.978560829
H       -0.512509429      0.887692948      1.978560578
H       -0.512509429     -0.887692948      1.978560578
C       -0.000000274      0.000000000     -2.341800000
H       -0.000000098      0.000000000     -3.429337604
H       -1.025019859      0.000000000     -1.978560828
H        0.512509429     -0.887692948     -1.978560579
H        0.512509429      0.887692948     -1.978560578
10
CH4-Dimer (C-C Dist = 4.784)
C        0.000000280      0.000000000      2.391800000
H        0.000000104      0.000000000      3.479337604
H        1.025019865      0.000000000      2.028560829
H       -0.512509423      0.887692948      2.028560578
H       -0.512509423     -0.887692948      2.028560578
C       -0.000000280      0.000000000     -2.391800000
H       -0.000000104      0.000000000     -3.479337604
H       -1.025019865      0.000000000     -2.028560828
H        0.512509423     -0.887692948     -2.028560579
H        0.512509424      0.887692948     -2.028560578
10
CH4-Dimer (C-C Dist = 4.884)
C        0.000000286      0.000000000      2.441800000
H        0.000000110      0.000000000      3.529337604
H        1.025019871      0.000000000      2.078560829
H       -0.512509418      0.887692948      2.078560578
H       -0.512509417     -0.887692948      2.078560578
C       -0.000000286      0.000000000     -2.441800000
H       -0.000000110      0.000000000     -3.529337604
H       -1.025019871      0.000000000     -2.078560828
H        0.512509418     -0.887692948     -2.078560579
H        0.512509418      0.887692948     -2.078560578
10
CH4-Dimer (C-C Dist = 4.984)
C        0.000000292      0.000000000      2.491800000
H        0.000000115      0.000000000      3.579337604
H        1.025019877      0.000000000      2.128560829
H       -0.512509412      0.887692948      2.128560578
H       -0.512509412     -0.887692948      2.128560578
C       -0.000000292      0.000000000     -2.491800000
H       -0.000000116      0.000000000     -3.579337604
H       -1.025019877      0.000000000     -2.128560828
H        0.512509412     -0.887692948     -2.128560579
H        0.512509412      0.887692948     -2.128560578
10
CH4-Dimer (C-C Dist = 5.184)
C        0.000000304      0.000000000      2.591800000
H        0.000000127      0.000000000      3.679337604
H        1.025019889      0.000000000      2.228560829
H       -0.512509400      0.887692948      2.228560578
H       -0.512509400     -0.887692948      2.228560578
C       -0.000000304      0.000000000     -2.591800000
H       -0.000000128      0.000000000     -3.679337604
H       -1.025019888      0.000000000     -2.228560828
H        0.512509400     -0.887692948     -2.228560579
H        0.512509400      0.887692948     -2.228560578
10
CH4-Dimer (C-C Dist = 5.384)
C        0.000000315      0.000000000      2.691800000
H        0.000000139      0.000000000      3.779337604
H        1.025019900      0.000000000      2.328560829
H       -0.512509388      0.887692948      2.328560578
H       -0.512509388     -0.887692948      2.328560578
C       -0.000000315      0.000000000     -2.691800000
H       -0.000000139      0.000000000     -3.779337604
H       -1.025019900      0.000000000     -2.328560828
H        0.512509388     -0.887692948     -2.328560579
H        0.512509388      0.887692948     -2.328560578
10
CH4-Dimer (C-C Dist = 5.584)
C        0.000000327      0.000000000      2.791800000
H        0.000000151      0.000000000      3.879337604
H        1.025019912      0.000000000      2.428560829
H       -0.512509377      0.887692948      2.428560578
H       -0.512509376     -0.887692948      2.428560578
C       -0.000000327      0.000000000     -2.791800000
H       -0.000000151      0.000000000     -3.879337604
H       -1.025019912      0.000000000     -2.428560828
H        0.512509377     -0.887692948     -2.428560579
H        0.512509377      0.887692948     -2.428560578
10
CH4-Dimer (C-C Dist = 5.784)
C        0.000000339      0.000000000      2.891800000
H        0.000000162      0.000000000      3.979337604
H        1.025019924      0.000000000      2.528560829
H       -0.512509365      0.887692948      2.528560578
H       -0.512509365     -0.887692948      2.528560578
C       -0.000000339      0.000000000     -2.891800000
H       -0.000000163      0.000000000     -3.979337604
H       -1.025019923      0.000000000     -2.528560828
H        0.512509365     -0.887692948     -2.528560579
H        0.512509365      0.887692948     -2.528560578
10
CH4-Dimer (C-C Dist = 5.984)
C        0.000000350      0.000000000      2.991800000
H        0.000000174      0.000000000      4.079337604
H        1.025019935      0.000000000      2.628560829
H       -0.512509353      0.887692948      2.628560578
H       -0.512509353     -0.887692948      2.628560578
C       -0.000000350      0.000000000     -2.991800000
H       -0.000000174      0.000000000     -4.079337604
H       -1.025019935      0.000000000     -2.628560828
H        0.512509353     -0.887692948     -2.628560579
H        0.512509353      0.887692948     -2.628560578
10
CH4-Dimer (C-C Dist = 6.384)
C        0.000000374      0.000000000      3.191800000
H        0.000000197      0.000000000      4.279337604
H        1.025019959      0.000000000      2.828560829
H       -0.512509330      0.887692948      2.828560578
H       -0.512509330     -0.887692948      2.828560578
C       -0.000000374      0.000000000     -3.191800000
H       -0.000000198      0.000000000     -4.279337604
H       -1.025019959      0.000000000     -2.828560828
H        0.512509330     -0.887692948     -2.828560579
H        0.512509330      0.887692948     -2.828560578
10
CH4-Dimer (C-C Dist = 6.784)
C        0.000000397      0.000000000      3.391800000
H        0.000000221      0.000000000      4.479337604
H        1.025019982      0.000000000      3.028560829
H       -0.512509306      0.887692948      3.028560578
H       -0.512509306     -0.887692948      3.028560578
C       -0.000000397      0.000000000     -3.391800000
H       -0.000000221      0.000000000     -4.479337604
H       -1.025019982      0.000000000     -3.028560828
H        0.512509306     -0.887692948     -3.028560579
H        0.512509306      0.887692948     -3.028560578
10
CH4-Dimer (C-C Dist = 7.184)
C        0.000000421      0.000000000      3.591800000
H        0.000000244      0.000000000      4.679337604
H        1.025020006      0.000000000      3.228560829
H       -0.512509283      0.887692948      3.228560578
H       -0.512509283     -0.887692948      3.228560578
C       -0.000000421      0.000000000     -3.591800000
H       -0.000000245      0.000000000     -4.679337604
H       -1.025020005      0.000000000     -3.228560828
H        0.512509283     -0.887692948     -3.228560579
H        0.512509283      0.887692948     -3.228560578
10
CH4-Dimer (C-C Dist = 7.584)
C        0.000000444      0.000000000      3.791800000
H        0.000000268      0.000000000      4.879337604
H        1.025020029      0.000000000      3.428560829
H       -0.512509259      0.887692948      3.428560578
H       -0.512509259     -0.887692948      3.428560578
C       -0.000000444      0.000000000     -3.791800000
H       -0.000000268      0.000000000     -4.879337604
H       -1.025020029      0.000000000     -3.428560828
H        0.512509259     -0.887692948     -3.428560579
H        0.512509260      0.887692948     -3.428560578
10
CH4-Dimer (C-C Dist = 8.384)
C        0.000000491      0.000000000      4.191800000
H        0.000000315      0.000000000      5.279337604
H        1.025020076      0.000000000      3.828560829
H       -0.512509213      0.887692948      3.828560578
H       -0.512509212     -0.887692948      3.828560578
C       -0.000000491      0.000000000     -4.191800000
H       -0.000000315      0.000000000     -5.279337604
H       -1.025020076      0.000000000     -3.828560828
H        0.512509213     -0.887692948     -3.828560579
H        0.512509213      0.887692948     -3.828560578
10
CH4-Dimer (C-C Dist = 9.284)
C        0.000000544      0.000000000      4.641800000
H        0.000000367      0.000000000      5.729337604
H        1.025020129      0.000000000      4.278560829
H       -0.512509160      0.887692948      4.278560578
H       -0.512509160     -0.887692948      4.278560578
C       -0.000000544      0.000000000     -4.641800000
H       -0.000000368      0.000000000     -5.729337604
H       -1.025020128      0.000000000     -4.278560828
H        0.512509160     -0.887692948     -4.278560579
H        0.512509160      0.887692948     -4.278560578
10
CH4-Dimer (C-C Dist = 10.284)
C        0.000000602      0.000000000      5.141800000
H        0.000000426      0.000000000      6.229337604
H        1.025020187      0.000000000      4.778560829
H       -0.512509101      0.887692948      4.778560578
H       -0.512509101     -0.887692948      4.778560578
C       -0.000000602      0.000000000     -5.141800000
H       -0.000000426      0.000000000     -6.229337604
H       -1.025020187      0.000000000     -4.778560828
H        0.512509101     -0.887692948     -4.778560579
H        0.512509102      0.887692948     -4.778560578
10
CH4-Dimer (C-C Dist = 11.284)
C        0.000000661      0.000000000      5.641800000
H        0.000000484      0.000000000      6.729337604
H        1.025020246      0.000000000      5.278560829
H       -0.512509043      0.887692948      5.278560578
H       -0.512509043     -0.887692948      5.278560578
C       -0.000000661      0.000000000     -5.641800000
H       -0.000000485      0.000000000     -6.729337604
H       -1.025020246      0.000000000     -5.278560828
H        0.512509043     -0.887692948     -5.278560579
H        0.512509043      0.887692948     -5.278560578
6
H2O-Dimer (O-H Dist = 1.488)
O        0.003221256      1.300108585     -0.000000175
H       -0.074046124      0.335830815      0.000000379
H       -0.904743928      1.613399461     -0.000000192
O        0.007617636     -1.150387271     -0.000000044
H        0.495761674     -1.479527478      0.760937839
H        0.495761656     -1.479527782     -0.760937807
6
H2O-Dimer (O-H Dist = 1.588)
O        0.000478026      1.350033275     -0.000000161
H       -0.076789354      0.385755506      0.000000393
H       -0.907487158      1.663324152     -0.000000177
O        0.010360866     -1.200311962     -0.000000058
H        0.498504904     -1.529452169      0.760937824
H        0.498504886     -1.529452472     -0.760937822
6
H2O-Dimer (O-H Dist = 1.688)
O       -0.002265204      1.399957965     -0.000000146
H       -0.079532584      0.435680196      0.000000407
H       -0.910230388      1.713248842     -0.000000163
O        0.013104096     -1.250236652     -0.000000072
H        0.501248134     -1.579376859      0.760937810
H        0.501248116     -1.579377162     -0.760937836
6
H2O-Dimer (O-H Dist = 1.788)
O       -0.005008434      1.449882655     -0.000000132
H       -0.082275814      0.485604886      0.000000422
H       -0.912973618      1.763173532     -0.000000149
O        0.015847326     -1.300161342     -0.000000087
H        0.503991364     -1.629301549      0.760937796
H        0.503991346     -1.629301852     -0.760937850
6
H2O-Dimer (O-H Dist = 1.888)
O       -0.007751664      1.499807345     -0.000000118
H       -0.085019044      0.535529576      0.000000436
H       -0.915716848      1.813098222     -0.000000135
O        0.018590556     -1.350086032     -0.000000101
H        0.506734593     -1.679226239      0.760937782
H        0.506734576     -1.679226542     -0.760937864
6
H2O-Dimer-Equilibrium (O-H Dist = 1.988)
O       -0.010494769      1.549729766     -0.000000104
H       -0.087762149      0.585451997      0.000000450
H       -0.918459953      1.863020643     -0.000000121
O        0.021333661     -1.400008453     -0.000000115
H        0.509477699     -1.729148660      0.760937768
H        0.509477681     -1.729148963     -0.760937878
6
H2O-Dimer (O-H Dist = 2.088)
O       -0.013238124      1.599656726     -0.000000089
H       -0.090505504      0.635378957      0.000000464
H       -0.921203308      1.912947603     -0.000000106
O        0.024077016     -1.449935413     -0.000000129
H        0.512221053     -1.779075619      0.760937753
H        0.512221036     -1.779075923     -0.760937893
6
H2O-Dimer (O-H Dist = 2.188)
O       -0.015981354      1.649581416     -0.000000075
H       -0.093248733      0.685303647      0.000000479
H       -0.923946538      1.962872293     -0.000000092
O        0.026820246     -1.499860103     -0.000000143
H        0.514964283     -1.829000310      0.760937739
H        0.514964266     -1.829000613     -0.760937907
6
H2O-Dimer (O-H Dist = 2.288)
O       -0.018724583      1.699506106     -0.000000061
H       -0.095991963      0.735228337      0.000000493
H       -0.926689768      2.012796983     -0.000000078
O        0.029563476     -1.549784793     -0.000000158
H        0.517707513     -1.878925000      0.760937725
H        0.517707496     -1.878925303     -0.760937921
6
H2O-Dimer (O-H Dist = 2.388)
O       -0.021467813      1.749430796     -0.000000047
H       -0.098735193      0.785153027      0.000000507
H       -0.929432998      2.062721673     -0.000000064
O        0.032306706     -1.599709483     -0.000000172
H        0.520450743     -1.928849690      0.760937711
H        0.520450726     -1.928849993     -0.760937935
6
H2O-Dimer (O-H Dist = 2.488)
O       -0.024211043      1.799355486     -0.000000033
H       -0.101478423      0.835077717      0.000000521
H       -0.932176228      2.112646363     -0.000000049
O        0.035049936     -1.649634173     -0.000000186
H        0.523193973     -1.978774380      0.760937697
H        0.523193956     -1.978774684     -0.760937949
6
H2O-Dimer (O-H Dist = 2.588)
O       -0.026954273      1.849280177     -0.000000018
H       -0.104221653      0.885002407      0.000000535
H       -0.934919458      2.162571053     -0.000000035
O        0.037793166     -1.699558863     -0.000000200
H        0.525937203     -2.028699070      0.760937682
H        0.525937185     -2.028699374     -0.760937964
6
H2O-Dimer (O-H Dist = 2.688)
O       -0.029697503      1.899204867     -0.000000004
H       -0.106964883      0.934927098      0.000000550
H       -0.937662688      2.212495744     -0.000000021
O        0.040536395     -1.749483554     -0.000000214
H        0.528680433     -2.078623761      0.760937668
H        0.528680415     -2.078624064     -0.760937978
6
H2O-Dimer (O-H Dist = 2.788)
O       -0.032440733      1.949129557      0.000000010
H       -0.109708113      0.984851788      0.000000564
H       -0.940405918      2.262420434     -0.000000007
O        0.043279625     -1.799408244     -0.000000229
H        0.531423663     -2.128548451      0.760937654
H        0.531423645     -2.128548754     -0.760937992
6
H2O-Dimer (O-H Dist = 2.888)
O       -0.035183963      1.999054247      0.000000024
H       -0.112451343      1.034776478      0.000000578
H       -0.943149147      2.312345124      0.000000007
O        0.046022855     -1.849332934     -0.000000243
H        0.534166893     -2.178473141      0.760937640
H        0.534166875     -2.178473444     -0.760938006
6
H2O-Dimer (O-H Dist = 2.988)
O       -0.037927193      2.048978937      0.000000038
H       -0.115194573      1.084701168      0.000000592
H       -0.945892377      2.362269814      0.000000022
O        0.048766085     -1.899257624     -0.000000257
H        0.536910123     -2.228397831      0.760937626
H        0.536910105     -2.228398134     -0.760938020
6
H2O-Dimer (O-H Dist = 3.088)
O       -0.040670423      2.098903628      0.000000053
H       -0.117937803      1.134625858      0.000000606
H       -0.948635607      2.412194504      0.000000036
O        0.051509315     -1.949182314     -0.000000271
H        0.539653353     -2.278322521      0.760937611
H        0.539653335     -2.278322825     -0.760938035
6
H2O-Dimer (O-H Dist = 3.188)
O       -0.043413653      2.148828318      0.000000067
H       -0.120681033      1.184550549      0.000000621
H       -0.951378837      2.462119195      0.000000050
O        0.054252545     -1.999107005     -0.000000286
H        0.542396583     -2.328247211      0.760937597
H        0.542396565     -2.328247515     -0.760938049
6
H2O-Dimer (O-H Dist = 3.388)
O       -0.048900113      2.248677698      0.000000095
H       -0.126167493      1.284399929      0.000000649
H       -0.956865297      2.561968575      0.000000078
O        0.059739005     -2.098956385     -0.000000314
H        0.547883042     -2.428096592      0.760937569
H        0.547883025     -2.428096895     -0.760938077
6
H2O-Dimer (O-H Dist = 3.588)
O       -0.054386573      2.348527078      0.000000124
H       -0.131653952      1.384249309      0.000000677
H       -0.962351757      2.661817955      0.000000107
O        0.065225465     -2.198805765     -0.000000342
H        0.553369502     -2.527945972      0.760937540
H        0.553369485     -2.527946276     -0.760938106
6
H2O-Dimer (O-H Dist = 3.788)
O       -0.059873032      2.448376459      0.000000152
H       -0.137140412      1.484098690      0.000000706
H       -0.967838217      2.761667336      0.000000135
O        0.070711925     -2.298655146     -0.000000371
H        0.558855962     -2.627795352      0.760937512
H        0.558855945     -2.627795656     -0.760938134
6
H2O-Dimer (O-H Dist = 3.988)
O       -0.065359492      2.548225839      0.000000180
H       -0.142626872      1.583948070      0.000000734
H       -0.973324677      2.861516716      0.000000164
O        0.076198385     -2.398504526     -0.000000399
H        0.564342422     -2.727644733      0.760937483
H        0.564342404     -2.727645036     -0.760938163
6
H2O-Dimer (O-H Dist = 4.188)
O       -0.070845952      2.648075220      0.000000209
H       -0.148113332      1.683797450      0.000000763
H       -0.978811136      2.961366096      0.000000192
O        0.081684844     -2.498353906     -0.000000428
H        0.569828882     -2.827494113      0.760937455
H        0.569828864     -2.827494417     -0.760938191
6
H2O-Dimer (O-H Dist = 4.588)
O       -0.081818872      2.847773980      0.000000266
H       -0.159086252      1.883496211      0.000000820
H       -0.989784056      3.161064857      0.000000249
O        0.092657764     -2.698052667     -0.000000484
H        0.580801802     -3.027192874      0.760937398
H        0.580801784     -3.027193177     -0.760938248
6
H2O-Dimer (O-H Dist = 4.988)
O       -0.092791792      3.047472741      0.000000323
H       -0.170059171      2.083194972      0.000000876
H       -1.000756976      3.360763618      0.000000306
O        0.103630684     -2.897751428     -0.000000541
H        0.591774721     -3.226891635      0.760937341
H        0.591774704     -3.226891938     -0.760938305
6
H2O-Dimer (O-H Dist = 5.388)
O       -0.103764711      3.247171502      0.000000379
H       -0.181032091      2.282893732      0.000000933
H       -1.011729896      3.560462378      0.000000363
O        0.114603604     -3.097450188     -0.000000598
H        0.602747641     -3.426590395      0.760937284
H        0.602747623     -3.426590699     -0.760938362
6
H2O-Dimer (O-H Dist = 5.788)
O       -0.114737631      3.446870262      0.000000436
H       -0.192005011      2.482592493      0.000000990
H       -1.022702815      3.760161139      0.000000419
O        0.125576523     -3.297148949     -0.000000655
H        0.613720561     -3.626289156      0.760937228
H        0.613720543     -3.626289459     -0.760938418
6
H2O-Dimer (O-H Dist = 6.188)
O       -0.125710551      3.646569023      0.000000493
H       -0.202977931      2.682291254      0.000001047
H       -1.033675735      3.959859900      0.000000476
O        0.136549443     -3.496847710     -0.000000712
H        0.624693480     -3.825987917      0.760937171
H        0.624693463     -3.825988220     -0.760938475
6
H2O-Dimer (O-H Dist = 6.988)
O       -0.147656390      4.045966545      0.000000607
H       -0.224923770      3.081688775      0.000001161
H       -1.055621574      4.359257421      0.000000590
O        0.158495282     -3.896245231     -0.000000825
H        0.646639320     -4.225385438      0.760937057
H        0.646639302     -4.225385742     -0.760938589
6
H2O-Dimer (O-H Dist = 7.988)
O       -0.175088689      4.545213446      0.000000749
H       -0.252356069      3.580935677      0.000001303
H       -1.083053874      4.858504323      0.000000732
O        0.185927582     -4.395492133     -0.000000968
H        0.674071619     -4.724632340      0.760936915
H        0.674071602     -4.724632643     -0.760938731
6
H2O-Dimer (O-H Dist = 8.988)
O       -0.202520989      5.044460348      0.000000891
H       -0.279788368      4.080182579      0.000001445
H       -1.110486173      5.357751225      0.000000874
O        0.213359881     -4.894739035     -0.000001110
H        0.701503918     -5.223879242      0.760936773
H        0.701503901     -5.223879545     -0.760938873
6
H2O-Dimer (O-H Dist = 9.988)
O       -0.229953288      5.543707250      0.000001033
H       -0.307220668      4.579429481      0.000001587
H       -1.137918472      5.856998127      0.000001016
O        0.240792180     -5.393985937     -0.000001252
H        0.728936218     -5.723126144      0.760936631
H        0.728936200     -5.723126447     -0.760939015
16
C6H6-C2H2 (H-Ringcenter Dist = 1.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.193319483     -0.000016138     -0.000016508
C        1.981319802     -0.000057669     -0.000039039
H        0.916493263     -0.000094226     -0.000058294
H        4.256110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.046)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.293319483     -0.000016138     -0.000016508
C        2.081319802     -0.000057669     -0.000039039
H        1.016493263     -0.000094226     -0.000058294
H        4.356110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.146)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.393319483     -0.000016138     -0.000016508
C        2.181319802     -0.000057669     -0.000039039
H        1.116493263     -0.000094226     -0.000058294
H        4.456110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.246)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.493319483     -0.000016138     -0.000016508
C        2.281319802     -0.000057669     -0.000039039
H        1.216493263     -0.000094226     -0.000058294
H        4.556110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.346)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.593319483     -0.000016138     -0.000016508
C        2.381319802     -0.000057669     -0.000039039
H        1.316493263     -0.000094226     -0.000058294
H        4.656110278      0.000021275      0.000002203
16
C6H6-C2H2-Equilibrium (H-Ringcenter Dist = 2.446)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.693319483     -0.000016138     -0.000016508
C        2.481319802     -0.000057669     -0.000039039
H        1.416493263     -0.000094226     -0.000058294
H        4.756110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.546)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.793319483     -0.000016138     -0.000016508
C        2.581319802     -0.000057669     -0.000039039
H        1.516493263     -0.000094226     -0.000058294
H        4.856110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.646)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.893319483     -0.000016138     -0.000016508
C        2.681319802     -0.000057669     -0.000039039
H        1.616493263     -0.000094226     -0.000058294
H        4.956110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.746)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        3.993319483     -0.000016138     -0.000016508
C        2.781319802     -0.000057669     -0.000039039
H        1.716493263     -0.000094226     -0.000058294
H        5.056110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.846)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.093319483     -0.000016138     -0.000016508
C        2.881319802     -0.000057669     -0.000039039
H        1.816493263     -0.000094226     -0.000058294
H        5.156110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 2.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.193319483     -0.000016138     -0.000016508
C        2.981319802     -0.000057669     -0.000039039
H        1.916493263     -0.000094226     -0.000058294
H        5.256110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.046)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.293319483     -0.000016138     -0.000016508
C        3.081319802     -0.000057669     -0.000039039
H        2.016493263     -0.000094226     -0.000058294
H        5.356110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.146)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.393319483     -0.000016138     -0.000016508
C        3.181319802     -0.000057669     -0.000039039
H        2.116493263     -0.000094226     -0.000058294
H        5.456110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.246)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.493319483     -0.000016138     -0.000016508
C        3.281319802     -0.000057669     -0.000039039
H        2.216493263     -0.000094226     -0.000058294
H        5.556110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.346)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.593319483     -0.000016138     -0.000016508
C        3.381319802     -0.000057669     -0.000039039
H        2.316493263     -0.000094226     -0.000058294
H        5.656110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.446)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.693319483     -0.000016138     -0.000016508
C        3.481319802     -0.000057669     -0.000039039
H        2.416493263     -0.000094226     -0.000058294
H        5.756110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.546)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.793319483     -0.000016138     -0.000016508
C        3.581319802     -0.000057669     -0.000039039
H        2.516493263     -0.000094226     -0.000058294
H        5.856110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.646)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        4.893319483     -0.000016138     -0.000016508
C        3.681319802     -0.000057669     -0.000039039
H        2.616493263     -0.000094226     -0.000058294
H        5.956110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 3.846)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        5.093319483     -0.000016138     -0.000016508
C        3.881319802     -0.000057669     -0.000039039
H        2.816493263     -0.000094226     -0.000058294
H        6.156110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 4.046)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        5.293319483     -0.000016138     -0.000016508
C        4.081319802     -0.000057669     -0.000039039
H        3.016493263     -0.000094226     -0.000058294
H        6.356110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 4.246)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        5.493319483     -0.000016138     -0.000016508
C        4.281319802     -0.000057669     -0.000039039
H        3.216493263     -0.000094226     -0.000058294
H        6.556110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 4.446)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        5.693319483     -0.000016138     -0.000016508
C        4.481319802     -0.000057669     -0.000039039
H        3.416493263     -0.000094226     -0.000058294
H        6.756110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 4.646)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        5.893319483     -0.000016138     -0.000016508
C        4.681319802     -0.000057669     -0.000039039
H        3.616493263     -0.000094226     -0.000058294
H        6.956110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 5.046)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        6.293319483     -0.000016138     -0.000016508
C        5.081319802     -0.000057669     -0.000039039
H        4.016493263     -0.000094226     -0.000058294
H        7.356110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 5.446)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        6.693319483     -0.000016138     -0.000016508
C        5.481319802     -0.000057669     -0.000039039
H        4.416493263     -0.000094226     -0.000058294
H        7.756110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 5.846)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        7.093319483     -0.000016138     -0.000016508
C        5.881319802     -0.000057669     -0.000039039
H        4.816493263     -0.000094226     -0.000058294
H        8.156110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 6.246)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        7.493319483     -0.000016138     -0.000016508
C        6.281319802     -0.000057669     -0.000039039
H        5.216493263     -0.000094226     -0.000058294
H        8.556110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 6.646)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        7.893319483     -0.000016138     -0.000016508
C        6.681319802     -0.000057669     -0.000039039
H        5.616493263     -0.000094226     -0.000058294
H        8.956110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 7.046)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        8.293319483     -0.000016138     -0.000016508
C        7.081319802     -0.000057669     -0.000039039
H        6.016493263     -0.000094226     -0.000058294
H        9.356110278      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 7.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C        9.193319483     -0.000016138     -0.000016508
C        7.981319802     -0.000057669     -0.000039039
H        6.916493263     -0.000094226     -0.000058294
H       10.256110280      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 8.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C       10.193319480     -0.000016138     -0.000016508
C        8.981319802     -0.000057669     -0.000039039
H        7.916493263     -0.000094226     -0.000058294
H       11.256110280      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 9.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C       11.193319480     -0.000016138     -0.000016508
C        9.981319802     -0.000057669     -0.000039039
H        8.916493263     -0.000094226     -0.000058294
H       12.256110280      0.000021275      0.000002203
16
C6H6-C2H2 (H-Ringcenter Dist = 10.946)
C       -1.029374279      1.395980020     -0.024693107
C       -1.029362721      0.719389116      1.196601527
C       -1.029438435      0.676603286     -1.221285364
H       -1.024829176      1.277234222      2.124506396
H       -1.024963609      1.201269841     -2.168345995
C       -1.029416880     -0.676578665      1.221304026
C       -1.029492240     -0.719364407     -1.196583028
H       -1.024926868     -1.201245742      2.168364473
H       -1.025060256     -1.277209526     -2.124488234
C       -1.029480832     -1.395955535      0.024711627
H       -1.025039220     -2.478467603      0.043866801
H       -1.024850648      2.478491658     -0.043848948
C       12.193319480     -0.000016138     -0.000016508
C       10.981319800     -0.000057669     -0.000039039
H        9.916493263     -0.000094226     -0.000058294
H       13.256110280      0.000021275      0.000002203