36 
BTBT-tBu1 molec optimized by CAM-B3LYPp2p, SG=m
  S         0.74004928     1.97669607     0.00000000
  C         2.13491156     0.90304147     0.00000000
  C         3.47219206     1.29086992     0.00000000
  C         4.44775366     0.30742982     0.00000000
  C         4.09851205    -1.04878741     0.00000000
  C         2.77131117    -1.43651354     0.00000000
  C         1.76926110    -0.45969192     0.00000000
  C         0.33888121    -0.59006079     0.00000000
  S        -0.73560676    -1.96593230     0.00000000
  C        -2.12967911    -0.89052416     0.00000000
  C        -3.46628391    -1.28625177     0.00000000
  C        -4.47257635    -0.32872412     0.00000000
  C        -4.09686767     1.03078238     0.00000000
  C        -2.77682540     1.43092320     0.00000000
  C        -1.76225355     0.46700073     0.00000000
  C        -0.33277935     0.59974243     0.00000000
  H         3.74410777     2.34154081     0.00000000
  H         5.49468742     0.59321678     0.00000000
  H         4.87871787    -1.80307427     0.00000000
  H         2.50310189    -2.48864369     0.00000000
  H        -3.70521810    -2.34270613     0.00000000
  C        -5.96024668    -0.69875840     0.00000000
  H        -4.86781764     1.79418009     0.00000000
  H        -2.52483229     2.48717530     0.00000000
  C        -6.18318949    -2.21546627     0.00000000
  H        -5.75309410    -2.69043835    -0.88751400
  H        -7.25656143    -2.42853169     0.00000000
  H        -5.75309410    -2.69043835     0.88751400
  C        -6.63243639    -0.11582885     1.25616800
  H        -7.69841528    -0.36782275     1.26757250
  H        -6.54811578     0.97383122     1.29575950
  H        -6.17748068    -0.51960027     2.16613050
  C        -6.63243639    -0.11582885    -1.25616800
  H        -6.17748068    -0.51960027    -2.16613050
  H        -6.54811578     0.97383122    -1.29575950
  H        -7.69841528    -0.36782275    -1.26757250
