44 
anthracenePh2a molec-a optimized by CAM-B3LYPp2p, SG=2
  C         3.66518673     0.71605194    -0.00000486
  C         2.47582258     1.39165774    -0.00293986
  C         1.22194965     0.71161068    -0.00387786
  C         0.00637412     1.39711819    -0.00089786
  C        -1.21229748     0.72134693     0.00002614
  C        -2.46741169     1.40355706     0.00306314
  C        -3.64022308     0.71720312     0.00463114
  C        -3.66518673    -0.71605194    -0.00000486
  C        -2.47582258    -1.39165774    -0.00293986
  C        -1.22194965    -0.71161068    -0.00387786
  C        -0.00637412    -1.39711819    -0.00089786
  C         1.21229748    -0.72134693     0.00002614
  C         2.46741169    -1.40355706     0.00306314
  C         3.64022308    -0.71720312     0.00463114
  C         4.96204059     1.43530379     0.00264714
  C         6.04058106     0.96503978     0.75828914
  C         7.25220380     1.64390584     0.77082414
  C         7.41098794     2.80634300     0.02482114
  C         6.34793314     3.28306710    -0.73418686
  C         5.13726561     2.60295607    -0.74641686
  C        -4.96204059    -1.43530379     0.00264714
  C        -6.04058106    -0.96503978     0.75828914
  C        -7.25220380    -1.64390584     0.77082414
  C        -7.41098794    -2.80634300     0.02482114
  C        -6.34793314    -3.28306710    -0.73418686
  C        -5.13726561    -2.60295607    -0.74641686
  H         2.46835579     2.47768371     0.02128314
  H         0.01036035     2.48437252     0.00031014
  H        -2.46673470     2.48996209    -0.00512686
  H        -4.58226216     1.25554950    -0.01670986
  H        -2.46835579    -2.47768371     0.02128314
  H        -0.01036035    -2.48437252     0.00031014
  H         2.46673470    -2.48996209    -0.00512686
  H         4.58226216    -1.25554950    -0.01670986
  H         5.92079180     0.07060976     1.36192514
  H         8.07389447     1.26579333     1.37150914
  H         8.35843154     3.33617967     0.03273914
  H         6.46417997     4.18425363    -1.32861086
  H         4.32086496     2.96615012    -1.36282086
  H        -5.92079180    -0.07060976     1.36192514
  H        -8.07389447    -1.26579333     1.37150914
  H        -8.35843154    -3.33617967     0.03273914
  H        -6.46417997    -4.18425363    -1.32861086
  H        -4.32086496    -2.96615012    -1.36282086
