102 
P3HT pistack-CAabab optimized by PBE-D3paw900, SG=p21/b11xz, nm=4
  S         1.43240998    -0.90317000    -1.48057353
  C         0.23891998     0.26125000    -1.99745853
  C         2.76678998     0.11317000    -1.91991103
  C         0.86629998     1.40508000    -2.50427103
  C         2.27559998     1.30124000    -2.44923603
  H         2.92945998     2.07956000    -2.83961353
  C         0.21973998     2.62701000    -3.09803603
  C         0.22286998     3.86216000    -2.17831103
  H        -0.80378998     2.41252000    -3.43357353
  H         0.78364998     2.86977000    -4.01267059
  C        -0.85384998     3.84680000    -1.09555853
  H         0.08372998     4.76201000    -2.80113853
  H         1.21936998     3.96030000    -1.72178603
  C        -0.82275998     5.07600000    -0.18195103
  H        -0.76078998     2.93050000    -0.48985353
  H        -1.83854998     3.77746000    -1.58123353
  C         0.31555998     5.06450000     0.83766603
  H        -1.77888998     5.15333000     0.35918353
  H        -0.75186998     5.98886000    -0.79981603
  C         0.33342998     6.29426000     1.74146103
  H         1.28172998     4.97626000     0.31749603
  H         0.22273998     4.15742000     1.45844103
  H         1.15755998     6.25069000     2.46772353
  H        -0.60597998     6.38238000     2.30654603
  H         0.45479998     7.21657000     1.15451603
  S         5.34199993     0.90317000    -2.29621353
  C         4.14850993    -0.26125000    -1.77932853
  C         6.67637993    -0.11317000    -1.85687603
  C         4.77588993    -1.40508000    -1.27251603
  C         6.18518993    -1.30124000    -1.32755103
  H         6.83904993    -2.07956000    -0.93717353
  C         4.12932993    -2.62701000    -0.67875103
  C         4.13245993    -3.86216000    -1.59847603
  H         3.10579998    -2.41252000    -0.34321353
  H         4.69323993    -2.86977000     0.23588353
  C         3.05573998    -3.84680000    -2.68122853
  H         3.99331993    -4.76201000    -0.97564853
  H         5.12895993    -3.96030000    -2.05500103
  C         3.08682998    -5.07600000    -3.59483603
  H         3.14879998    -2.93050000    -3.28693353
  H         2.07103998    -3.77746000    -2.19555353
  C         4.22514993    -5.06450000    -4.61445309
  H         2.13069998    -5.15333000    -4.13597059
  H         3.15771998    -5.98886000    -2.97697103
  C         4.24301993    -6.29426000    -5.51824809
  H         5.19131993    -4.97626000    -4.09428309
  H         4.13232993    -4.15742000    -5.23522809
  H         5.06714993    -6.25069000    -6.24451059
  H         3.30360998    -6.38238000    -6.08333309
  H         4.36438993    -7.21657000    -4.93130309
  S         2.47717998    -0.90317000     2.29621353
  C         3.67066998     0.26125000     1.77932853
  C         1.14279998     0.11317000     1.85687603
  C         3.04328998     1.40508000     1.27251603
  C         1.63398998     1.30124000     1.32755103
  H         0.98012998     2.07956000     0.93717353
  C         3.68984998     2.62701000     0.67875103
  C         3.68671998     3.86216000     1.59847603
  H         3.12593998     2.86977000    -0.23588353
  H         4.71337993     2.41252000     0.34321353
  C         4.76343993     3.84680000     2.68122853
  H         2.69021998     3.96030000     2.05500103
  H         3.82585998     4.76201000     0.97564853
  C         4.73234993     5.07600000     3.59483603
  H         5.74813993     3.77746000     2.19555353
  H         4.67037993     2.93050000     3.28693353
  C         3.59402998     5.06450000     4.61445309
  H         4.66145993     5.98886000     2.97697103
  H         5.68847993     5.15333000     4.13597059
  C         3.57615998     6.29426000     5.51824809
  H         3.68684998     4.15742000     5.23522809
  H         2.62785998     4.97626000     4.09428309
  H         2.75202998     6.25069000     6.24451059
  H         3.45478998     7.21657000     4.93130309
  H         4.51556993     6.38238000     6.08333309
  S         6.38676993     0.90317000     1.48057353
  C         7.58025993    -0.26125000     1.99745853
  C         5.05238993    -0.11317000     1.91991103
  C         6.95287993    -1.40508000     2.50427103
  C         5.54357993    -1.30124000     2.44923603
  H         4.88971993    -2.07956000     2.83961353
  C         7.59943993    -2.62701000     3.09803603
  C         7.59630993    -3.86216000     2.17831103
  H         7.03552993    -2.86977000     4.01267059
  H         8.62296989    -2.41252000     3.43357353
  C         8.67302989    -3.84680000     1.09555853
  H         6.59980993    -3.96030000     1.72178603
  H         7.73544993    -4.76201000     2.80113853
  C         8.64193989    -5.07600000     0.18195103
  H         9.65772989    -3.77746000     1.58123353
  H         8.57996989    -2.93050000     0.48985353
  C         7.50361993    -5.06450000    -0.83766603
  H         8.57104989    -5.98886000     0.79981603
  H         9.59806989    -5.15333000    -0.35918353
  C         7.48574993    -6.29426000    -1.74146103
  H         7.59643993    -4.15742000    -1.45844103
  H         6.53744993    -4.97626000    -0.31749603
  H         6.66161993    -6.25069000    -2.46772353
  H         7.36437993    -7.21657000    -1.15451603
  H         8.42515989    -6.38238000    -2.30654603
  Tv        7.81917991     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.55357412
