48 
DATT molec optimized by CAM-B3LYPp2p, SG=2/m
  S         0.43418070     2.07236690     0.00000000
  C         1.98468889     1.21931640     0.00000000
  C         3.22091028     1.78940919     0.00000000
  C         4.37962402     0.96054079     0.00000000
  C         5.66794655     1.50204710     0.00000000
  C         6.80245986     0.69605501     0.00000000
  C         8.12470423     1.24158844     0.00000000
  C         9.21558088     0.42972533     0.00000000
  C         9.06214007    -0.98908016     0.00000000
  C         7.82281020    -1.54823190     0.00000000
  C         6.64786252    -0.73175577     0.00000000
  C         5.36769419    -1.27537988     0.00000000
  C         4.22390711    -0.46977694     0.00000000
  C         2.91724375    -1.02694757     0.00000000
  C         1.81664928    -0.21271030     0.00000000
  C         0.41425856    -0.53822343     0.00000000
  H         3.34507429     2.86812181     0.00000000
  H         5.78568496     2.58278516     0.00000000
  H         8.23746788     2.32210884     0.00000000
  H        10.21372705     0.85631631     0.00000000
  H         9.94590057    -1.61931813     0.00000000
  H         7.70118245    -2.62778990     0.00000000
  H         5.25016283    -2.35612466     0.00000000
  H         2.80461686    -2.10742812     0.00000000
  S        -0.43418070    -2.07236690     0.00000000
  C        -1.98468889    -1.21931640     0.00000000
  C        -3.22091028    -1.78940919     0.00000000
  C        -4.37962402    -0.96054079     0.00000000
  C        -5.66794655    -1.50204710     0.00000000
  C        -6.80245986    -0.69605501     0.00000000
  C        -8.12470423    -1.24158844     0.00000000
  C        -9.21558088    -0.42972533     0.00000000
  C        -9.06214007     0.98908016     0.00000000
  C        -7.82281020     1.54823190     0.00000000
  C        -6.64786252     0.73175577     0.00000000
  C        -5.36769419     1.27537988     0.00000000
  C        -4.22390711     0.46977694     0.00000000
  C        -2.91724375     1.02694757     0.00000000
  C        -1.81664928     0.21271030     0.00000000
  C        -0.41425856     0.53822343     0.00000000
  H        -3.34507429    -2.86812181     0.00000000
  H        -5.78568496    -2.58278516     0.00000000
  H        -8.23746788    -2.32210884     0.00000000
  H       -10.21372705    -0.85631631     0.00000000
  H        -9.94590057     1.61931813     0.00000000
  H        -7.70118245     2.62778990     0.00000000
  H        -5.25016283     2.35612466     0.00000000
  H        -2.80461686     2.10742812     0.00000000
