42 
DNBDT molec optimized by CAM-B3LYPa3p, SG=2/m
  S         1.84092804     2.51433345     0.00000000
  C         4.53376869     1.81079188     0.00000000
  C         3.22068444     1.43926347     0.00000000
  C         2.83486649     0.07156827     0.00000000
  C         3.80220036    -0.89757220     0.00000000
  C         5.16527301    -0.55086075     0.00000000
  C         6.18579826    -1.53334476     0.00000000
  C         7.49922950    -1.17862220     0.00000000
  C         7.86691732     0.18433177     0.00000000
  C         6.91252416     1.15446877     0.00000000
  C         5.53620164     0.82136836     0.00000000
  C         0.73026571     1.16110004     0.00000000
  C         1.38942090    -0.07942257     0.00000000
  C         0.64734956    -1.25132695     0.00000000
  H         4.81971236     2.85492694     0.00000000
  H         3.53046659    -1.94605240     0.00000000
  H         5.89968101    -2.57788479     0.00000000
  H         8.26813742    -1.93968815     0.00000000
  H         8.91463125     0.45452130     0.00000000
  H         7.19358073     2.20027691     0.00000000
  H         1.13900158    -2.21509901     0.00000000
  S        -1.84092804    -2.51433345     0.00000000
  C        -4.53376869    -1.81079188     0.00000000
  C        -3.22068444    -1.43926347     0.00000000
  C        -2.83486649    -0.07156827     0.00000000
  C        -3.80220036     0.89757220     0.00000000
  C        -5.16527301     0.55086075     0.00000000
  C        -6.18579826     1.53334476     0.00000000
  C        -7.49922950     1.17862220     0.00000000
  C        -7.86691732    -0.18433177     0.00000000
  C        -6.91252416    -1.15446877     0.00000000
  C        -5.53620164    -0.82136836     0.00000000
  C        -0.73026571    -1.16110004     0.00000000
  C        -1.38942090     0.07942257     0.00000000
  C        -0.64734956     1.25132695     0.00000000
  H        -4.81971236    -2.85492694     0.00000000
  H        -3.53046659     1.94605240     0.00000000
  H        -5.89968101     2.57788479     0.00000000
  H        -8.26813742     1.93968815     0.00000000
  H        -8.91463125    -0.45452130     0.00000000
  H        -7.19358073    -2.20027691     0.00000000
  H        -1.13900158     2.21509901     0.00000000
