96 
BTBT-C12d molec optimized by CAM-B3LYPp2p, SG=-1
  S         0.74963430     1.96361765     0.00081033
  C         2.13698357     0.88972412    -0.00394206
  C         3.46745517     1.29984036    -0.00165153
  C         4.44887830     0.32619542     0.00311544
  C         4.10505430    -1.02935257     0.00426501
  C         2.78585108    -1.45825955    -0.00240763
  C         1.77497963    -0.47459999    -0.00590498
  C         0.33766092    -0.59590976    -0.00188518
  C         2.47209853    -2.93305240    -0.04652176
  C         2.22220808    -3.45307636    -1.46944818
  C         1.88387620    -4.94138576    -1.50409175
  C         1.65498299    -5.47424416    -2.91703241
  C         1.31280586    -6.96232068    -2.95556743
  C         1.08337533    -7.49601780    -4.36814988
  C         0.74120398    -8.98405016    -4.40729938
  C         0.51160078    -9.51783491    -5.81982340
  C         0.16969833   -11.00592974    -5.85914688
  C        -0.05999745   -11.53997935    -7.27139244
  C        -0.40180878   -13.02817923    -7.31123268
  C        -0.62939065   -13.55150653    -8.72656945
  H         3.72368075     2.35427836     0.00054434
  H         5.49509691     0.61487690     0.00987069
  H         4.89441623    -1.77589229     0.01279277
  H         1.60376088    -3.15923190     0.58315012
  H         3.31156704    -3.48609323     0.39022564
  H         1.40765791    -2.88174185    -1.93072776
  H         3.11464651    -3.25999696    -2.07818969
  H         0.98591131    -5.12248758    -0.89763179
  H         2.69332597    -5.51105789    -1.02677205
  H         0.84642596    -4.90290434    -3.39275138
  H         2.55264466    -5.29220266    -3.52371336
  H         0.41516003    -7.14398563    -2.34869617
  H         2.12127419    -7.53345326    -2.47866156
  H         1.98089212    -7.31391335    -4.97515386
  H         0.27487504    -6.92492477    -4.84481839
  H         1.54979674    -9.55509718    -3.93054549
  H        -0.15627342    -9.16613844    -3.80021638
  H        -0.29711088    -8.94693504    -6.29645856
  H         1.40897408    -9.33551143    -6.42697735
  H        -0.72768296   -11.18823813    -5.25193321
  H         0.97849408   -11.57680373    -5.38249150
  H        -0.86910330   -10.96996115    -7.74874551
  H         0.83710686   -11.35834748    -7.87939600
  H        -1.29834137   -13.20915675    -6.70417017
  H         0.40698558   -13.59735217    -6.83484288
  H        -1.45481060   -13.02199008    -9.21493697
  H        -0.87225285   -14.61864439    -8.72642436
  H         0.26312485   -13.41297701    -9.34660103
  S        -0.74963430    -1.96361765    -0.00081033
  C        -2.13698357    -0.88972412     0.00394206
  C        -3.46745517    -1.29984036     0.00165153
  C        -4.44887830    -0.32619542    -0.00311544
  C        -4.10505430     1.02935257    -0.00426501
  C        -2.78585108     1.45825955     0.00240763
  C        -1.77497963     0.47459999     0.00590498
  C        -0.33766092     0.59590976     0.00188518
  C        -2.47209853     2.93305240     0.04652176
  C        -2.22220808     3.45307636     1.46944818
  C        -1.88387620     4.94138576     1.50409175
  C        -1.65498299     5.47424416     2.91703241
  C        -1.31280586     6.96232068     2.95556743
  C        -1.08337533     7.49601780     4.36814988
  C        -0.74120398     8.98405016     4.40729938
  C        -0.51160078     9.51783491     5.81982340
  C        -0.16969833    11.00592974     5.85914688
  C         0.05999745    11.53997935     7.27139244
  C         0.40180878    13.02817923     7.31123268
  C         0.62939065    13.55150653     8.72656945
  H        -3.72368075    -2.35427836    -0.00054434
  H        -5.49509691    -0.61487690    -0.00987069
  H        -4.89441623     1.77589229    -0.01279277
  H        -1.60376088     3.15923190    -0.58315012
  H        -3.31156704     3.48609323    -0.39022564
  H        -1.40765791     2.88174185     1.93072776
  H        -3.11464651     3.25999696     2.07818969
  H        -0.98591131     5.12248758     0.89763179
  H        -2.69332597     5.51105789     1.02677205
  H        -0.84642596     4.90290434     3.39275138
  H        -2.55264466     5.29220266     3.52371336
  H        -0.41516003     7.14398563     2.34869617
  H        -2.12127419     7.53345326     2.47866156
  H        -1.98089212     7.31391335     4.97515386
  H        -0.27487504     6.92492477     4.84481839
  H        -1.54979674     9.55509718     3.93054549
  H         0.15627342     9.16613844     3.80021638
  H         0.29711088     8.94693504     6.29645856
  H        -1.40897408     9.33551143     6.42697735
  H         0.72768296    11.18823813     5.25193321
  H        -0.97849408    11.57680373     5.38249150
  H         0.86910330    10.96996115     7.74874551
  H        -0.83710686    11.35834748     7.87939600
  H         1.29834137    13.20915675     6.70417017
  H        -0.40698558    13.59735217     6.83484288
  H         1.45481060    13.02199008     9.21493697
  H         0.87225285    14.61864439     8.72642436
  H        -0.26312485    13.41297701     9.34660103
