58 
HMTTF-tBuMe molec optimized by CAM-B3LYPp2p, SG=-1
  S         1.63358439     1.50223382    -0.01489273
  S         1.63360693    -1.50220590    -0.01505983
  C         0.67032702     0.00000490    -0.00850392
  C         3.17301885     0.66522276    -0.01395892
  C         3.17304384    -0.66518917    -0.01400189
  C         4.55326356     1.24420355    -0.09400573
  C         5.45008932     0.00015278     0.18316086
  C         4.55336435    -1.24438194    -0.09374582
  C         6.83996568     0.00126836    -0.50225167
  C         7.58240519     1.27723175    -0.07801912
  C         6.72754897    -0.02465609    -2.03338345
  C         7.60419597    -1.24777946    -0.00287990
  C         9.04041150    -1.41878186    -0.49692428
  H         7.61044882    -1.22780278     1.09522488
  H         7.03448026    -2.14113783    -0.28611907
  H         4.73003553     1.68199051    -1.08421309
  H         4.72693678     2.03923288     0.63825890
  H         5.64005137     0.00197856     1.26356390
  H         4.72574888    -2.03999838     0.63813128
  H         4.73099750    -1.68075976    -1.08436823
  H         8.58059103     1.32457579    -0.52198520
  H         7.04523096     2.17536463    -0.39809041
  H         7.69659328     1.32494145     1.01117383
  H         7.71531280     0.06450138    -2.49434522
  H         6.27956282    -0.95443168    -2.39791465
  H         6.12374808     0.80585987    -2.41099648
  H         9.47134178    -2.33716004    -0.08661281
  H         9.09365538    -1.49444173    -1.58700986
  H         9.68487851    -0.59136993    -0.18645874
  S        -1.63358439    -1.50223382     0.01489273
  S        -1.63360693     1.50220590     0.01505983
  C        -0.67032702    -0.00000490     0.00850392
  C        -3.17301885    -0.66522276     0.01395892
  C        -3.17304384     0.66518917     0.01400189
  C        -4.55326356    -1.24420355     0.09400573
  C        -5.45008932    -0.00015278    -0.18316086
  C        -4.55336435     1.24438194     0.09374582
  C        -6.83996568    -0.00126836     0.50225167
  C        -7.58240519    -1.27723175     0.07801912
  C        -6.72754897     0.02465609     2.03338345
  C        -7.60419597     1.24777946     0.00287990
  C        -9.04041150     1.41878186     0.49692428
  H        -7.61044882     1.22780278    -1.09522488
  H        -7.03448026     2.14113783     0.28611907
  H        -4.73003553    -1.68199051     1.08421309
  H        -4.72693678    -2.03923288    -0.63825890
  H        -5.64005137    -0.00197856    -1.26356390
  H        -4.72574888     2.03999838    -0.63813128
  H        -4.73099750     1.68075976     1.08436823
  H        -8.58059103    -1.32457579     0.52198520
  H        -7.04523096    -2.17536463     0.39809041
  H        -7.69659328    -1.32494145    -1.01117383
  H        -7.71531280    -0.06450138     2.49434522
  H        -6.27956282     0.95443168     2.39791465
  H        -6.12374808    -0.80585987     2.41099648
  H        -9.47134178     2.33716004     0.08661281
  H        -9.09365538     1.49444173     1.58700986
  H        -9.68487851     0.59136993     0.18645874
