102 
P3HT pistack-BAaac optimized by PBE-D3paw900, SG=c211xz, nm=4
  S         1.94948053    -0.90137000    -1.55454109
  C         0.74677053     0.23098000    -2.10257859
  C         3.26698053     0.12274000    -2.03052109
  C         1.35465053     1.36189000    -2.66004109
  C         2.76337053     1.28623000    -2.60515609
  H         3.41027053     2.06807000    -3.00297609
  C         0.64419053     2.55616000    -3.22740109
  C         0.41412053     3.65457000    -2.17669109
  H        -0.30536553     2.25821000    -3.69510109
  H         1.25842053     2.96695000    -4.04361578
  C        -0.37401553     4.86414000    -2.69092109
  H         1.39816053     3.97770000    -1.80656359
  H        -0.10878553     3.21647000    -1.31074109
  C        -1.88669053     4.64463000    -2.72687109
  H        -0.00822053     5.14078000    -3.69489109
  H        -0.16468053     5.73257000    -2.04605859
  C        -2.68044053     5.86962000    -3.17947859
  H        -2.22199053     4.35729000    -1.71569609
  H        -2.13301053     3.78915000    -3.37580859
  C        -4.19018158     5.68155000    -3.04050859
  H        -2.42610053     6.10496000    -4.22642078
  H        -2.36314053     6.74446000    -2.58736109
  H        -4.74984158     6.55495000    -3.40328359
  H        -4.46957158     5.52070000    -1.98909109
  H        -4.53736158     4.80647000    -3.60760109
  S         5.84844158     0.90137000    -2.40219109
  C         4.64573158    -0.23098000    -1.85415359
  C         7.16594158    -0.12274000    -1.92621109
  C         5.25361158    -1.36189000    -1.29669109
  C         6.66233158    -1.28623000    -1.35157609
  H         7.30923158    -2.06807000    -0.95375609
  C         4.54315158    -2.55616000    -0.72933109
  C         4.31308158    -3.65457000    -1.78004109
  H         3.59359553    -2.25821000    -0.26163109
  H         5.15738158    -2.96695000     0.08688359
  C         3.52494553    -4.86414000    -1.26581109
  H         5.29712158    -3.97770000    -2.15016859
  H         3.79017553    -3.21647000    -2.64599109
  C         2.01227053    -4.64463000    -1.22986109
  H         3.89074053    -5.14078000    -0.26184109
  H         3.73428053    -5.73257000    -1.91067359
  C         1.21852053    -5.86962000    -0.77725359
  H         1.67697053    -4.35729000    -2.24103609
  H         1.76595053    -3.78915000    -0.58092359
  C        -0.29122053    -5.68155000    -0.91622359
  H         1.47286053    -6.10496000     0.26968859
  H         1.53582053    -6.74446000    -1.36937109
  H        -0.85088053    -6.55495000    -0.55344859
  H        -0.57061053    -5.52070000    -1.96764109
  H        -0.63840053    -4.80647000    -0.34913109
  S         1.94948053     0.90137000     1.55454109
  C         0.74677053    -0.23098000     2.10257859
  C         3.26698053    -0.12274000     2.03052109
  C         1.35465053    -1.36189000     2.66004109
  C         2.76337053    -1.28623000     2.60515609
  H         3.41027053    -2.06807000     3.00297609
  C         0.64419053    -2.55616000     3.22740109
  C         0.41412053    -3.65457000     2.17669109
  H        -0.30536553    -2.25821000     3.69510109
  H         1.25842053    -2.96695000     4.04361578
  C        -0.37401553    -4.86414000     2.69092109
  H         1.39816053    -3.97770000     1.80656359
  H        -0.10878553    -3.21647000     1.31074109
  C        -1.88669053    -4.64463000     2.72687109
  H        -0.00822053    -5.14078000     3.69489109
  H        -0.16468053    -5.73257000     2.04605859
  C        -2.68044053    -5.86962000     3.17947859
  H        -2.22199053    -4.35729000     1.71569609
  H        -2.13301053    -3.78915000     3.37580859
  C        -4.19018158    -5.68155000     3.04050859
  H        -2.42610053    -6.10496000     4.22642078
  H        -2.36314053    -6.74446000     2.58736109
  H        -4.74984158    -6.55495000     3.40328359
  H        -4.46957158    -5.52070000     1.98909109
  H        -4.53736158    -4.80647000     3.60760109
  S         5.84844158    -0.90137000     2.40219109
  C         4.64573158     0.23098000     1.85415359
  C         7.16594158     0.12274000     1.92621109
  C         5.25361158     1.36189000     1.29669109
  C         6.66233158     1.28623000     1.35157609
  H         7.30923158     2.06807000     0.95375609
  C         4.54315158     2.55616000     0.72933109
  C         4.31308158     3.65457000     1.78004109
  H         3.59359553     2.25821000     0.26163109
  H         5.15738158     2.96695000    -0.08688359
  C         3.52494553     4.86414000     1.26581109
  H         5.29712158     3.97770000     2.15016859
  H         3.79017553     3.21647000     2.64599109
  C         2.01227053     4.64463000     1.22986109
  H         3.89074053     5.14078000     0.26184109
  H         3.73428053     5.73257000     1.91067359
  C         1.21852053     5.86962000     0.77725359
  H         1.67697053     4.35729000     2.24103609
  H         1.76595053     3.78915000     0.58092359
  C        -0.29122053     5.68155000     0.91622359
  H         1.47286053     6.10496000    -0.26968859
  H         1.53582053     6.74446000     1.36937109
  H        -0.85088053     6.55495000     0.55344859
  H        -0.57061053     5.52070000     1.96764109
  H        -0.63840053     4.80647000     0.34913109
  Tv        7.79792211     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.91346437
