84 
DNTT-C8 molec optimized by CAM-B3LYPp2p, SG=2/m
  S         0.53675408     2.04428274     0.00000000
  C        -0.38904599     0.55787127     0.00000000
  C        -1.80427248     0.29736784     0.00000000
  C        -2.87376600     1.16397349     0.00000000
  C        -4.19235360     0.66476899     0.00000000
  C        -5.32310112     1.52144556     0.00000000
  C        -6.59434780     1.01846359     0.00000000
  C        -6.83336289    -0.38204287     0.00000000
  C        -5.75001497    -1.22489178     0.00000000
  C        -4.41650647    -0.74481879     0.00000000
  C        -3.31032301    -1.62650128     0.00000000
  C        -2.04029177    -1.11533737     0.00000000
  S        -0.53675408    -2.04428274     0.00000000
  C         0.38904599    -0.55787127     0.00000000
  C         1.80427248    -0.29736784     0.00000000
  C         2.87376600    -1.16397349     0.00000000
  C         4.19235360    -0.66476899     0.00000000
  C         5.32310112    -1.52144556     0.00000000
  C         6.59434780    -1.01846359     0.00000000
  C         6.83336289     0.38204287     0.00000000
  C         5.75001497     1.22489178     0.00000000
  C         4.41650647     0.74481879     0.00000000
  C         3.31032301     1.62650128     0.00000000
  C         2.04029177     1.11533737     0.00000000
  H        -2.71160133     2.23833700     0.00000000
  H        -5.16137454     2.59587719     0.00000000
  H        -7.43396670     1.70421442     0.00000000
  H        -5.90706176    -2.30163769     0.00000000
  H        -3.48457346    -2.69841264     0.00000000
  H         2.71160133    -2.23833700     0.00000000
  H         5.16137454    -2.59587719     0.00000000
  H         7.43396670    -1.70421442     0.00000000
  H         5.90706176     2.30163769     0.00000000
  H         3.48457346     2.69841264     0.00000000
  C        -8.23409191    -0.96600648     0.00000000
  H        -8.33694292    -1.62363611    -0.87320200
  H        -8.33694292    -1.62363611     0.87320200
  C        -9.39181949     0.02954319     0.00000000
  H        -9.32048728     0.68359136     0.87860000
  H        -9.32048728     0.68359136    -0.87860000
  C       -10.75418540    -0.66142594     0.00000000
  H       -10.82879732    -1.31818484    -0.87750700
  H       -10.82879732    -1.31818484     0.87750700
  C       -11.92704041     0.31675637     0.00000000
  H       -11.85184753     0.97352277     0.87747700
  H       -11.85184753     0.97352277    -0.87747700
  C       -13.29075177    -0.37112250     0.00000000
  H       -13.36594702    -1.02805888    -0.87744200
  H       -13.36594702    -1.02805888     0.87744200
  C       -14.46371088     0.60686644     0.00000000
  H       -14.38929823     1.26413837     0.87741000
  H       -14.38929823     1.26413837    -0.87741000
  C       -15.82822466    -0.07965950     0.00000000
  H       -15.90241741    -0.73576418    -0.87694400
  H       -15.90241741    -0.73576418     0.87694400
  C       -16.99290542     0.90637259     0.00000000
  H       -16.96191550     1.55349499     0.88342500
  H       -16.96191550     1.55349499    -0.88342500
  H       -17.95729310     0.38905857     0.00000000
  C         8.23409191     0.96600648     0.00000000
  H         8.33694292     1.62363611     0.87320200
  H         8.33694292     1.62363611    -0.87320200
  C         9.39181949    -0.02954319     0.00000000
  H         9.32048728    -0.68359136    -0.87860000
  H         9.32048728    -0.68359136     0.87860000
  C        10.75418540     0.66142594     0.00000000
  H        10.82879732     1.31818484     0.87750700
  H        10.82879732     1.31818484    -0.87750700
  C        11.92704041    -0.31675637     0.00000000
  H        11.85184753    -0.97352277    -0.87747700
  H        11.85184753    -0.97352277     0.87747700
  C        13.29075177     0.37112250     0.00000000
  H        13.36594702     1.02805888     0.87744200
  H        13.36594702     1.02805888    -0.87744200
  C        14.46371088    -0.60686644     0.00000000
  H        14.38929823    -1.26413837    -0.87741000
  H        14.38929823    -1.26413837     0.87741000
  C        15.82822466     0.07965950     0.00000000
  H        15.90241741     0.73576418     0.87694400
  H        15.90241741     0.73576418    -0.87694400
  C        16.99290542    -0.90637259     0.00000000
  H        16.96191550    -1.55349499    -0.88342500
  H        16.96191550    -1.55349499     0.88342500
  H        17.95729310    -0.38905857     0.00000000
