42 
DNBDT molec optimized by CAM-B3LYPp2p, SG=2/m
  S         1.84483406     2.53346455     0.00000000
  C         4.55091847     1.81877190     0.00000000
  C         3.23329486     1.44676390     0.00000000
  C         2.84415920     0.07542429     0.00000000
  C         3.81397392    -0.89864098     0.00000000
  C         5.18244094    -0.55227889     0.00000000
  C         6.20431611    -1.53942086     0.00000000
  C         7.52409186    -1.18453749     0.00000000
  C         7.89451500     0.18242258     0.00000000
  C         6.93662497     1.15783636     0.00000000
  C         5.55620375     0.82429008     0.00000000
  C         0.73026810     1.16603449     0.00000000
  C         1.39445338    -0.07661894     0.00000000
  C         0.65205118    -1.25483506     0.00000000
  H         4.83933553     2.86565971     0.00000000
  H         3.53963219    -1.95002803     0.00000000
  H         5.91449774    -2.58653674     0.00000000
  H         8.29466056    -1.94893620     0.00000000
  H         8.94589049     0.45245504     0.00000000
  H         7.21781636     2.20720159     0.00000000
  H         1.14786885    -2.22022947     0.00000000
  S        -1.84483406    -2.53346455     0.00000000
  C        -4.55091847    -1.81877190     0.00000000
  C        -3.23329486    -1.44676390     0.00000000
  C        -2.84415920    -0.07542429     0.00000000
  C        -3.81397392     0.89864098     0.00000000
  C        -5.18244094     0.55227889     0.00000000
  C        -6.20431611     1.53942086     0.00000000
  C        -7.52409186     1.18453749     0.00000000
  C        -7.89451500    -0.18242258     0.00000000
  C        -6.93662497    -1.15783636     0.00000000
  C        -5.55620375    -0.82429008     0.00000000
  C        -0.73026810    -1.16603449     0.00000000
  C        -1.39445338     0.07661894     0.00000000
  C        -0.65205118     1.25483506     0.00000000
  H        -4.83933553    -2.86565971     0.00000000
  H        -3.53963219     1.95002803     0.00000000
  H        -5.91449774     2.58653674     0.00000000
  H        -8.29466056     1.94893620     0.00000000
  H        -8.94589049    -0.45245504     0.00000000
  H        -7.21781636    -2.20720159     0.00000000
  H        -1.14786885     2.22022947     0.00000000
