24
benzene-benzene
 C     0.696750     1.206800     1.829850
 C     1.393500     0.000000     1.829850
 C     0.696750    -1.206800     1.829850
 C    -0.696750    -1.206800     1.829850
 C    -1.393500     0.000000     1.829850
 C    -0.696750     1.206800     1.829850
 H     2.475190     0.000000     1.826710
 H     1.237600    -2.143580     1.826710
 H    -1.237600    -2.143580     1.826710
 H    -2.475190     0.000000     1.826710
 H    -1.237600     2.143580     1.826710
 H     1.237600     2.143580     1.826710
 C     1.393500     0.000000    -1.829850
 C     0.696750    -1.206800    -1.829850
 C    -0.696750    -1.206800    -1.829850
 C    -1.393500     0.000000    -1.829850
 C    -0.696750     1.206800    -1.829850
 C     0.696750     1.206800    -1.829850
 H     2.475190     0.000000    -1.826710
 H     1.237600    -2.143580    -1.826710
 H    -1.237600    -2.143580    -1.826710
 H    -2.475190     0.000000    -1.826710
 H    -1.237600     2.143580    -1.826710
 H     1.237600     2.143580    -1.826710

24
benzene-hexafluorobenzene
 C    -1.207920    -0.697400    -2.332550
 C    -1.207920     0.697400    -2.332550
 C     0.000000     1.394790    -2.332550
 C     1.207920     0.697400    -2.332550
 C     1.207920    -0.697400    -2.332550
 C     0.000000    -1.394790    -2.332550
 H    -2.144740    -1.238270    -2.330460
 H    -2.144740     1.238270    -2.330460
 H     0.000000     2.476530    -2.330460
 H     2.144740     1.238270    -2.330460
 H     2.144740    -1.238270    -2.330460
 H     0.000000    -2.476530    -2.330460
 C    -1.202360    -0.694180     1.010080
 C    -1.202360     0.694180     1.010080
 C     0.000000     1.388360     1.010080
 C     1.202360     0.694180     1.010080
 C     1.202360    -0.694180     1.010080
 C     0.000000    -1.388360     1.010080
 F    -2.353040    -1.358530     0.959730
 F    -2.353040     1.358530     0.959730
 F     0.000000     2.717050     0.959730
 F     2.353040     1.358530     0.959730
 F     2.353040    -1.358530     0.959730
 F     0.000000    -2.717050     0.959730

24
benzene-hexachlorobenzene
 C    -1.2079044   -0.6973839   -2.6359705
 C    -1.2079044    0.6973839   -2.6359705
 C     0.0000000    1.3947678   -2.6359705
 C     1.2079044    0.6973839   -2.6359705
 C     1.2079044   -0.6973839   -2.6359705
 C     0.0000000   -1.3947678   -2.6359705
 H    -2.1447033   -1.2382450   -2.6369329
 H    -2.1447033    1.2382450   -2.6369329
 H     0.0000000    2.4764901   -2.6369329
 H     2.1447033    1.2382450   -2.6369329
 H     2.1447033   -1.2382450   -2.6369329
 H     0.0000000   -2.4764901   -2.6369329
 C    -1.2126365   -0.7001160    0.7459717
 C    -1.2126365    0.7001160    0.7459717
 C     0.0000000    1.4002320    0.7459717
 C     1.2126365    0.7001160    0.7459717
 C     1.2126365   -0.7001160    0.7459717
 C     0.0000000   -1.4002320    0.7459717
 Cl   -2.6952575   -1.5561076    0.7152852
 Cl   -2.6952575    1.5561076    0.7152852
 Cl    0.0000000    3.1122153    0.7152852
 Cl    2.6952575    1.5561076    0.7152852
 Cl    2.6952575   -1.5561076    0.7152852
 Cl    0.0000000   -3.1122153    0.7152852

24
benzene-hexabromobenzene
C    -1.2030821    0.6945998    2.9422111
C    -1.2030821   -0.6945998    2.9422111
C     0.0000000   -1.3891996    2.9422111
C     1.2030821   -0.6945998    2.9422111
C     1.2030821    0.6945998    2.9422111
C     0.0000000    1.3891996    2.9422111
H    -2.1356756    1.2330329    2.9448751
H    -2.1356756   -1.2330329    2.9448751
H     0.0000000   -2.4660658    2.9448751
H     2.1356756   -1.2330329    2.9448751
H     2.1356756    1.2330329    2.9448751
H     0.0000000    2.4660658    2.9448751
C    -1.2084896    0.6977218   -0.4378447
C    -1.2084896   -0.6977218   -0.4378447
C     0.0000000   -1.3954436   -0.4378447
C     1.2084896   -0.6977218   -0.4378447
C     1.2084896    0.6977218   -0.4378447
C     0.0000000    1.3954436   -0.4378447
Br   -2.8178933    1.6269115   -0.4135788
Br   -2.8178933   -1.6269115   -0.4135788
Br    0.0000000   -3.2538230   -0.4135788
Br    2.8178933   -1.6269115   -0.4135788
Br    2.8178933    1.6269115   -0.4135788
Br    0.0000000    3.2538230   -0.4135788

30
benzene-hexacyanobenzene
C     1.2157796   -0.7019307   -0.9042246
C     2.4470067   -1.4127800   -0.8488749
C     1.2157796    0.7019307   -0.9042246
C     0.0000000    1.4038614   -0.9042246
C    -1.2157796    0.7019307   -0.9042246
C    -1.2157796   -0.7019307   -0.9042246
C     0.0000000   -1.4038614   -0.9042246
C     2.4470067    1.4127800   -0.8488749
C     0.0000000    2.8255600   -0.8488749
C    -2.4470067    1.4127800   -0.8488749
C    -2.4470067   -1.4127800   -0.8488749
C     0.0000000   -2.8255600   -0.8488749
N     0.0000000    3.9999228   -0.7893237
N    -3.4640348    1.9999614   -0.7893237
N    -3.4640348   -1.9999614   -0.7893237
N     0.0000000   -3.9999228   -0.7893237
N     3.4640348   -1.9999614   -0.7893237
N     3.4640348    1.9999614   -0.7893237
C     1.2088345   -0.6979209    2.4653941
C     1.2088345    0.6979209    2.4653941
C     0.0000000    1.3958418    2.4653941
C    -1.2088345    0.6979209    2.4653941
C    -1.2088345   -0.6979209    2.4653941
C     0.0000000   -1.3958418    2.4653941
H     2.1459896   -1.2389877    2.4805739
H     2.1459896    1.2389877    2.4805739
H     0.0000000    2.4779754    2.4805739
H    -2.1459896    1.2389877    2.4805739
H    -2.1459896   -1.2389877    2.4805739
H     0.0000000   -2.4779754    2.4805739
