102 
P3HT pistack-AAaac optimized by PBE-D3paw900, SG=y2111xz, nm=4
  S         1.94772994    -0.80403000    -1.60641825
  C         0.74489994     0.19453000    -2.36938075
  C         3.26306994     0.12747000    -2.24601075
  C         1.35017994     1.21249000    -3.11779325
  C         2.75956994     1.16244000    -3.03145075
  H         3.40412994     1.85444000    -3.57329575
  C         0.63306994     2.25261000    -3.93093575
  C         0.23832994     3.49863000    -3.12112075
  H        -0.25628994     1.80802000    -4.40088226
  H         1.28885994     2.55404000    -4.76049226
  C        -0.56999994     4.53347000    -3.91073825
  H         1.15727994     3.96401000    -2.73166075
  H        -0.34178994     3.18751000    -2.23966575
  C        -1.98749994     4.07934000    -4.26470825
  H        -0.02559994     4.80792000    -4.82986226
  H        -0.63641994     5.45740000    -3.31171075
  C        -2.82480994     5.14830000    -4.96489476
  H        -2.50191994     3.76928000    -3.33963825
  H        -1.95396994     3.18020000    -4.90248226
  C        -4.24644982     4.67567000    -5.26440226
  H        -2.32624994     5.44806000    -5.90120226
  H        -2.85989994     6.05387000    -4.33613325
  H        -4.82767982     5.43764000    -5.80253226
  H        -4.78679982     4.44128000    -4.33544075
  H        -4.24143982     3.76251000    -5.87883226
  S         5.84318982     0.80403000    -2.76411325
  C         4.64035982    -0.19453000    -2.00115075
  C         7.15852982    -0.12747000    -2.12452075
  C         5.24563982    -1.21249000    -1.25273825
  C         6.65502982    -1.16244000    -1.33908075
  H         7.29958982    -1.85444000    -0.79723575
  C         4.52852982    -2.25261000    -0.43959575
  C         4.13378982    -3.49863000    -1.24941075
  H         3.63916994    -1.80802000     0.03035075
  H         5.18431982    -2.55404000     0.38996075
  C         3.32545994    -4.53347000    -0.45979325
  H         5.05273982    -3.96401000    -1.63887075
  H         3.55366994    -3.18751000    -2.13086575
  C         1.90795994    -4.07934000    -0.10582325
  H         3.86985994    -4.80792000     0.45933075
  H         3.25903994    -5.45740000    -1.05882075
  C         1.07064994    -5.14830000     0.59436325
  H         1.39353994    -3.76928000    -1.03089325
  H         1.94148994    -3.18020000     0.53195075
  C        -0.35098994    -4.67567000     0.89387075
  H         1.56920994    -5.44806000     1.53067075
  H         1.03555994    -6.05387000    -0.03439825
  H        -0.93221994    -5.43764000     1.43200075
  H        -0.89133994    -4.44128000    -0.03509075
  H        -0.34597994    -3.76251000     1.50830075
  S         1.94772994    -0.80403000     2.76411325
  C         0.74489994     0.19453000     2.00115075
  C         3.26306994     0.12747000     2.12452075
  C         1.35017994     1.21249000     1.25273825
  C         2.75956994     1.16244000     1.33908075
  H         3.40412994     1.85444000     0.79723575
  C         0.63306994     2.25261000     0.43959575
  C         0.23832994     3.49863000     1.24941075
  H        -0.25628994     1.80802000    -0.03035075
  H         1.28885994     2.55404000    -0.38996075
  C        -0.56999994     4.53347000     0.45979325
  H         1.15727994     3.96401000     1.63887075
  H        -0.34178994     3.18751000     2.13086575
  C        -1.98749994     4.07934000     0.10582325
  H        -0.02559994     4.80792000    -0.45933075
  H        -0.63641994     5.45740000     1.05882075
  C        -2.82480994     5.14830000    -0.59436325
  H        -2.50191994     3.76928000     1.03089325
  H        -1.95396994     3.18020000    -0.53195075
  C        -4.24644982     4.67567000    -0.89387075
  H        -2.32624994     5.44806000    -1.53067075
  H        -2.85989994     6.05387000     0.03439825
  H        -4.82767982     5.43764000    -1.43200075
  H        -4.78679982     4.44128000     0.03509075
  H        -4.24143982     3.76251000    -1.50830075
  S         5.84318982     0.80403000     1.60641825
  C         4.64035982    -0.19453000     2.36938075
  C         7.15852982    -0.12747000     2.24601075
  C         5.24563982    -1.21249000     3.11779325
  C         6.65502982    -1.16244000     3.03145075
  H         7.29958982    -1.85444000     3.57329575
  C         4.52852982    -2.25261000     3.93093575
  C         4.13378982    -3.49863000     3.12112075
  H         3.63916994    -1.80802000     4.40088226
  H         5.18431982    -2.55404000     4.76049226
  C         3.32545994    -4.53347000     3.91073825
  H         5.05273982    -3.96401000     2.73166075
  H         3.55366994    -3.18751000     2.23966575
  C         1.90795994    -4.07934000     4.26470825
  H         3.86985994    -4.80792000     4.82986226
  H         3.25903994    -5.45740000     3.31171075
  C         1.07064994    -5.14830000     4.96489476
  H         1.39353994    -3.76928000     3.33963825
  H         1.94148994    -3.18020000     4.90248226
  C        -0.35098994    -4.67567000     5.26440226
  H         1.56920994    -5.44806000     5.90120226
  H         1.03555994    -6.05387000     4.33613325
  H        -0.93221994    -5.43764000     5.80253226
  H        -0.89133994    -4.44128000     4.33544075
  H        -0.34597994    -3.76251000     5.87883226
  Tv        7.79091976     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     8.74106301
