33 
BTBT-iPr1 molec optimized by CAM-B3LYPp2p, SG=m
  S         0.73711160     1.97567159     0.00000000
  C         2.13303660     0.90360648     0.00000000
  C         3.46998433     1.29263679     0.00000000
  C         4.44632610     0.31000247     0.00000000
  C         4.09829531    -1.04656963     0.00000000
  C         2.77148001    -1.43548148     0.00000000
  C         1.76862524    -0.45944972     0.00000000
  C         0.33845419    -0.59102659     0.00000000
  S        -0.73361512    -1.96984179     0.00000000
  C        -2.13034274    -0.89674752     0.00000000
  C        -3.46434466    -1.28846956     0.00000000
  C        -4.46511042    -0.32219722     0.00000000
  C        -4.09769985     1.03304835     0.00000000
  C        -2.77363791     1.43176638     0.00000000
  C        -1.76442845     0.46538457     0.00000000
  C        -0.33413423     0.59766688     0.00000000
  H         3.74101315     2.34353127     0.00000000
  H         5.49301677     0.59667409     0.00000000
  H         4.87919562    -1.80012846     0.00000000
  H         2.50417145    -2.48783602     0.00000000
  H        -3.71975766    -2.34398580     0.00000000
  C        -5.93086632    -0.71874015     0.00000000
  H        -4.87944203     1.78725120     0.00000000
  H        -2.51783519     2.48705843     0.00000000
  H        -6.51424652     0.21008484     0.00000000
  C        -6.30817725    -1.50107949     1.26340000
  H        -6.06854038    -0.93405830     2.16765500
  H        -5.77033316    -2.45375535     1.31476700
  H        -7.38003282    -1.72452277     1.27300600
  C        -6.30817725    -1.50107949    -1.26340000
  H        -6.06854038    -0.93405830    -2.16765500
  H        -7.38003282    -1.72452277    -1.27300600
  H        -5.77033316    -2.45375535    -1.31476700
