102 
P3HT pistack-C optimized by PBE-D3paw900, SG=pbmaxz, nm=4
  S         2.62415756    -1.00037000    -1.86348885
  C         1.41768007     0.25107000    -1.86348885
  C         3.93771269     0.13563000    -1.86348885
  C         2.02081256     1.51761000    -1.86348885
  C         3.42791256     1.43369000    -1.86348885
  H         4.08134769     2.30375000    -1.86348885
  C         1.24996757     2.80698000    -1.86348885
  C         2.09751756     4.07753000    -1.86348885
  H         0.57834257     2.82162000    -0.98630635
  H         0.57834257     2.82162000    -2.74067135
  C         1.25544757     5.35171000    -1.86348885
  H         2.76070256     4.08076000    -2.74326885
  H         2.76070256     4.08076000    -0.98370885
  C         2.09511006     6.62762000    -1.86348885
  H         0.58837757     5.35080000    -0.98414635
  H         0.58837757     5.35080000    -2.74283135
  C         1.26744757     7.91202000    -1.86348885
  H         2.76122756     6.62504000    -2.74239885
  H         2.76122756     6.62504000    -0.98457885
  C         2.12322257     9.17703000    -1.86348885
  H         0.60110257     7.91307000    -0.98477135
  H         0.60110257     7.91307000    -2.74220635
  H         1.50605257    10.08605000    -1.86348885
  H         2.77240756     9.21586000    -2.74956135
  H         2.77240756     9.21586000    -0.97741635
  S         6.52291269     1.00037000    -1.86348885
  C         5.31643520    -0.25107000    -1.86348885
  C         7.83646782    -0.13563000    -1.86348885
  C         5.91956769    -1.51761000    -1.86348885
  C         7.32666769    -1.43369000    -1.86348885
  H         7.98010282    -2.30375000    -1.86348885
  C         5.14872270    -2.80698000    -1.86348885
  C         5.99627269    -4.07753000    -1.86348885
  H         4.47709770    -2.82162000    -2.74067135
  H         4.47709770    -2.82162000    -0.98630635
  C         5.15420270    -5.35171000    -1.86348885
  H         6.65945769    -4.08076000    -0.98370885
  H         6.65945769    -4.08076000    -2.74326885
  C         5.99386519    -6.62762000    -1.86348885
  H         4.48713270    -5.35080000    -2.74283135
  H         4.48713270    -5.35080000    -0.98414635
  C         5.16620270    -7.91202000    -1.86348885
  H         6.65998269    -6.62504000    -0.98457885
  H         6.65998269    -6.62504000    -2.74239885
  C         6.02197769    -9.17703000    -1.86348885
  H         4.49985770    -7.91307000    -2.74220635
  H         4.49985770    -7.91307000    -0.98477135
  H         5.40480770   -10.08605000    -1.86348885
  H         6.67116269    -9.21586000    -0.97741635
  H         6.67116269    -9.21586000    -2.74956135
  S         1.27459757    -1.00037000     1.86348885
  C         2.48107506     0.25107000     1.86348885
  C        -0.03895756     0.13563000     1.86348885
  C         1.87794257     1.51761000     1.86348885
  C         0.47084257     1.43369000     1.86348885
  H        -0.18259256     2.30375000     1.86348885
  C         2.64878756     2.80698000     1.86348885
  C         1.80123757     4.07753000     1.86348885
  H         3.32041256     2.82162000     0.98630635
  H         3.32041256     2.82162000     2.74067135
  C         2.64330756     5.35171000     1.86348885
  H         1.13805257     4.08076000     2.74326885
  H         1.13805257     4.08076000     0.98370885
  C         1.80364507     6.62762000     1.86348885
  H         3.31037756     5.35080000     0.98414635
  H         3.31037756     5.35080000     2.74283135
  C         2.63130756     7.91202000     1.86348885
  H         1.13752757     6.62504000     2.74239885
  H         1.13752757     6.62504000     0.98457885
  C         1.77553257     9.17703000     1.86348885
  H         3.29765256     7.91307000     0.98477135
  H         3.29765256     7.91307000     2.74220635
  H         2.39270256    10.08605000     1.86348885
  H         1.12634757     9.21586000     2.74956135
  H         1.12634757     9.21586000     0.97741635
  S         5.17335270     1.00037000     1.86348885
  C         6.37983019    -0.25107000     1.86348885
  C         3.85979757    -0.13563000     1.86348885
  C         5.77669770    -1.51761000     1.86348885
  C         4.36959770    -1.43369000     1.86348885
  H         3.71616257    -2.30375000     1.86348885
  C         6.54754269    -2.80698000     1.86348885
  C         5.69999270    -4.07753000     1.86348885
  H         7.21916769    -2.82162000     2.74067135
  H         7.21916769    -2.82162000     0.98630635
  C         6.54206269    -5.35171000     1.86348885
  H         5.03680770    -4.08076000     0.98370885
  H         5.03680770    -4.08076000     2.74326885
  C         5.70240020    -6.62762000     1.86348885
  H         7.20913269    -5.35080000     2.74283135
  H         7.20913269    -5.35080000     0.98414635
  C         6.53006269    -7.91202000     1.86348885
  H         5.03628270    -6.62504000     0.98457885
  H         5.03628270    -6.62504000     2.74239885
  C         5.67428770    -9.17703000     1.86348885
  H         7.19640769    -7.91307000     2.74220635
  H         7.19640769    -7.91307000     0.98477135
  H         6.29145769   -10.08605000     1.86348885
  H         5.02510270    -9.21586000     0.97741635
  H         5.02510270    -9.21586000     2.74956135
  Tv        7.79751026     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.45395540
