54 
PEDOT pistack-baL optimized by PBE-D3paw900, SG=p21/b11:440xz, nm=4
  S         2.43414774    -1.00552000     0.17895056
  C         1.15647024     0.16353000    -0.03546806
  C         3.69951024     0.18273000    -0.01531806
  C         1.71514024     1.42194000    -0.23771056
  C         3.12424024     1.43445000    -0.21760056
  O         0.95714274     2.55548000    -0.41713056
  O         3.86260024     2.58585000    -0.39824306
  C         1.73813024     3.62478000    -0.97352806
  C         3.05220024     3.75942000    -0.22290056
  H         1.92446024     3.42050000    -2.04125806
  H         2.85765024     3.90635000     0.85399556
  H         1.13034774     4.53309000    -0.86735056
  H         3.64358024     4.59963000    -0.61156556
  S         6.35739823     1.00552000    -0.17895056
  C         5.07972073    -0.16353000     0.03546806
  C         7.62276073    -0.18273000     0.01531806
  C         5.63839073    -1.42194000     0.23771056
  C         7.04749073    -1.43445000     0.21760056
  O         4.88039323    -2.55548000     0.41713056
  O         7.78585073    -2.58585000     0.39824306
  C         5.66138073    -3.62478000     0.97352806
  C         6.97545073    -3.75942000     0.22290056
  H         5.84771073    -3.42050000     2.04125806
  H         6.78090073    -3.90635000    -0.85399556
  H         5.05359823    -4.53309000     0.86735056
  H         7.56683073    -4.59963000     0.61156556
  S         1.48910274     1.00552000     3.34954056
  C         0.22374024    -0.18273000     3.54380917
  C         2.76678024    -0.16353000     3.56395917
  C         0.79901024    -1.43445000     3.74609167
  C         2.20811024    -1.42194000     3.76620167
  O         0.06065024    -2.58585000     3.92673417
  O         2.96610774    -2.55548000     3.94562167
  C         0.87105024    -3.75942000     3.75139167
  C         2.18512024    -3.62478000     4.50201917
  H         1.06560024    -3.90635000     2.67449556
  H         1.99879024    -3.42050000     5.56974917
  H         0.27967024    -4.59963000     4.14005667
  H         2.79290274    -4.53309000     4.39584167
  S         5.41235323    -1.00552000     3.70744167
  C         4.14699073     0.18273000     3.51317306
  C         6.69003073     0.16353000     3.49302306
  C         4.72226073     1.43445000     3.31089056
  C         6.13136073     1.42194000     3.29078056
  O         3.98390073     2.58585000     3.13024806
  O         6.88935823     2.55548000     3.11136056
  C         4.79430073     3.75942000     3.30559056
  C         6.10837073     3.62478000     2.55496306
  H         4.98885073     3.90635000     4.38248667
  H         5.92204073     3.42050000     1.48723306
  H         4.20292073     4.59963000     2.91692556
  H         6.71615323     4.53309000     2.66114056
  Tv        7.84650097     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.05698223
