51 
P3HT polymer optimized by CAM-B3LYPp2p symmetrized by qmc21zy + atom types and connectivity
  S         1.89846705    -1.00721949     0.00000000    `7    [2,3]
  C         0.69873877     0.25898281     0.00000000    `3    [1,4,28]
  C         3.21473987     0.13086628     0.00000000    `3    [1,5,27]
  C         1.29764141     1.50338361     0.00000000    `9    [2,5,7]
  C         2.71418575     1.40870908     0.00000000    `5    [3,4,6]
  H         3.35659890     2.27994179     0.00000000    `6    [5]
  C         0.55527024     2.81771042     0.00000000    `11   [4,8,9,10]
  C         1.43502545     4.06804021     0.00000000    `14   [7,11,12,13]
  H        -0.10837667     2.85836768     0.87369700    `15   [7]
  H        -0.10837667     2.85836768    -0.87369700    `15   [7]
  C         0.61281825     5.35513802     0.00000000    `14   [8,14,15,16]
  H         2.09169485     4.05916071    -0.87912550    `15   [8]
  H         2.09169485     4.05916071     0.87912550    `15   [8]
  C         1.47071546     6.61852082     0.00000000    `14   [11,17,18,19]
  H        -0.04787366     5.36449302     0.87758200    `15   [11]
  H        -0.04787366     5.36449302    -0.87758200    `15   [11]
  C         0.65156276     7.90776013     0.00000000    `14   [14,20,21,22]
  H         2.13178811     6.60964632    -0.87756500    `15   [14]
  H         2.13178811     6.60964632     0.87756500    `15   [14]
  C         1.51699597     9.16461893     0.00000000    `13   [17,23,24,25]
  H        -0.00852439     7.91620038     0.87699900    `15   [17]
  H        -0.00852439     7.91620038    -0.87699900    `15   [17]
  H         2.16387662     9.19821743     0.88348350    `15   [20]
  H         0.90613732    10.07258964     0.00000000    `15   [20]
  H         2.16387662     9.19821743    -0.88348350    `15   [20]
  S         5.81194598     1.00721949     0.00000000    `7    [27,28]
  C         4.61221770    -0.25898281     0.00000000    `3    [3,26,29]
  C         7.12821880    -0.13086628     0.00000000    `3    [2,26,30]
  C         5.21112034    -1.50338361     0.00000000    `9    [27,30,32]
  C         6.62766468    -1.40870908     0.00000000    `5    [28,29,31]
  H         7.27007783    -2.27994179     0.00000000    `6    [30]
  C         4.46874917    -2.81771042     0.00000000    `11   [29,33,34,35]
  C         5.34850437    -4.06804021     0.00000000    `14   [32,36,37,38]
  H         3.80510226    -2.85836768    -0.87369700    `15   [32]
  H         3.80510226    -2.85836768     0.87369700    `15   [32]
  C         4.52629718    -5.35513802     0.00000000    `14   [33,39,40,41]
  H         6.00517378    -4.05916071     0.87912550    `15   [33]
  H         6.00517378    -4.05916071    -0.87912550    `15   [33]
  C         5.38419438    -6.61852082     0.00000000    `14   [36,42,43,44]
  H         3.86560527    -5.36449302    -0.87758200    `15   [36]
  H         3.86560527    -5.36449302     0.87758200    `15   [36]
  C         4.56504169    -7.90776013     0.00000000    `14   [39,45,46,47]
  H         6.04526704    -6.60964632     0.87756500    `15   [39]
  H         6.04526704    -6.60964632    -0.87756500    `15   [39]
  C         5.43047490    -9.16461893     0.00000000    `13   [42,48,49,50]
  H         3.90495453    -7.91620038    -0.87699900    `15   [42]
  H         3.90495453    -7.91620038     0.87699900    `15   [42]
  H         6.07735555    -9.19821743    -0.88348350    `15   [45]
  H         4.81961625   -10.07258964     0.00000000    `15   [45]
  H         6.07735555    -9.19821743     0.88348350    `15   [45]
  Tv        7.82695786     0.00000000     0.00000000
