52 
HMTTF-tBu molec optimized by CAM-B3LYPp2p, SG=2/my
  S         1.63359487     1.50221100    -0.01366563
  S         1.63359487    -1.50221100    -0.01366563
  C         0.67033322     0.00000000    -0.00801705
  C         3.17305851     0.66532000    -0.01300297
  C         3.17305851    -0.66532000    -0.01300297
  C         4.55351517     1.24425600    -0.09478484
  C         5.44885072     0.00000000     0.18274479
  C         4.55351517    -1.24425600    -0.09478484
  C         6.83326431     0.00000000    -0.50622676
  C         7.60904895     1.24717600    -0.05913276
  C         6.73345982     0.00000000    -2.03779546
  C         7.60904895    -1.24717600    -0.05913276
  H         4.73071207     1.67890100    -1.08635048
  H         4.72881198     2.04063300     0.63571644
  H         5.64172324     0.00000000     1.26264564
  H         4.72881198    -2.04063300     0.63571644
  H         4.73071207    -1.67890100    -1.08635048
  H         7.11696866     2.16901100    -0.38566111
  H         7.70363776     1.28418300     1.03200168
  H         8.61943364     1.24529100    -0.48162401
  H         6.21246417     0.88411700    -2.41767019
  H         7.73679396     0.00000000    -2.47664380
  H         6.21246417    -0.88411700    -2.41767019
  H         8.61943364    -1.24529100    -0.48162401
  H         7.70363776    -1.28418300     1.03200168
  H         7.11696866    -2.16901100    -0.38566111
  S        -1.63359487    -1.50221100     0.01366563
  S        -1.63359487     1.50221100     0.01366563
  C        -0.67033322     0.00000000     0.00801705
  C        -3.17305851    -0.66532000     0.01300297
  C        -3.17305851     0.66532000     0.01300297
  C        -4.55351517    -1.24425600     0.09478484
  C        -5.44885072     0.00000000    -0.18274479
  C        -4.55351517     1.24425600     0.09478484
  C        -6.83326431     0.00000000     0.50622676
  C        -7.60904895    -1.24717600     0.05913276
  C        -6.73345982     0.00000000     2.03779546
  C        -7.60904895     1.24717600     0.05913276
  H        -4.73071207    -1.67890100     1.08635048
  H        -4.72881198    -2.04063300    -0.63571644
  H        -5.64172324     0.00000000    -1.26264564
  H        -4.72881198     2.04063300    -0.63571644
  H        -4.73071207     1.67890100     1.08635048
  H        -7.11696866    -2.16901100     0.38566111
  H        -7.70363776    -1.28418300    -1.03200168
  H        -8.61943364    -1.24529100     0.48162401
  H        -6.21246417    -0.88411700     2.41767019
  H        -7.73679396     0.00000000     2.47664380
  H        -6.21246417     0.88411700     2.41767019
  H        -8.61943364     1.24529100     0.48162401
  H        -7.70363776     1.28418300    -1.03200168
  H        -7.11696866     2.16901100     0.38566111
