54 
PEDOT pistack-abH optimized by PBE-D3paw900, SG=pbaaxz, nm=4
  S         1.96029737    -1.01903000     0.00000000
  C         0.69027237     0.17752000     0.00330657
  C         3.23032237     0.17752000    -0.00330657
  C         1.25455237     1.44708000    -0.00116250
  C         2.66604237     1.44708000     0.00116250
  O         0.50675487     2.60432000     0.00619907
  O         3.41383987     2.60432000    -0.00619907
  C         1.29801237     3.74104000    -0.37308157
  C         2.62258237     3.74104000     0.37308157
  H         1.47243737     3.71492000    -1.46274657
  H         2.44815737     3.71492000     1.46274657
  H         0.70231737     4.62673000    -0.11358407
  H         3.21827737     4.62673000     0.11358407
  S         5.88089211     1.01903000     0.00000000
  C         4.61086711    -0.17752000     0.00330657
  C         7.15091711    -0.17752000    -0.00330657
  C         5.17514711    -1.44708000    -0.00116250
  C         6.58663711    -1.44708000     0.00116250
  O         4.42734961    -2.60432000     0.00619907
  O         7.33443461    -2.60432000    -0.00619907
  C         5.21860711    -3.74104000    -0.37308157
  C         6.54317711    -3.74104000     0.37308157
  H         4.62291211    -4.62673000    -0.11358407
  H         7.13887211    -4.62673000     0.11358407
  H         5.39303211    -3.71492000    -1.46274657
  H         6.36875211    -3.71492000     1.46274657
  S         1.96029737     1.01903000     3.56805813
  C         0.69027237    -0.17752000     3.56475157
  C         3.23032237    -0.17752000     3.57136470
  C         1.25455237    -1.44708000     3.56922063
  C         2.66604237    -1.44708000     3.56689563
  O         0.50675487    -2.60432000     3.56185907
  O         3.41383987    -2.60432000     3.57425720
  C         1.29801237    -3.74104000     3.94113970
  C         2.62258237    -3.74104000     3.19497657
  H         1.47243737    -3.71492000     5.03080470
  H         2.44815737    -3.71492000     2.10531157
  H         0.70231737    -4.62673000     3.68164220
  H         3.21827737    -4.62673000     3.45447407
  S         5.88089211    -1.01903000     3.56805813
  C         4.61086711     0.17752000     3.56475157
  C         7.15091711     0.17752000     3.57136470
  C         5.17514711     1.44708000     3.56922063
  C         6.58663711     1.44708000     3.56689563
  O         4.42734961     2.60432000     3.56185907
  O         7.33443461     2.60432000     3.57425720
  C         5.21860711     3.74104000     3.94113970
  C         6.54317711     3.74104000     3.19497657
  H         4.62291211     4.62673000     3.68164220
  H         7.13887211     4.62673000     3.45447407
  H         5.39303211     3.71492000     5.03080470
  H         6.36875211     3.71492000     2.10531157
  Tv        7.84118948     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.13611627
