Accuracy

c2h6shr   2069 Thioethanol (Geo)

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    #  Species Formula
  2059 Thioformaldehyde (Geo)CH2S
  2060 ThioformaldehydeCH2S
  2061 Methanethio radicalCH3S
  2062 Thiomethanol (Geo)CH4S
  2063 ThiomethanolCH4S
  2064 CH3-B=S (Geo)H3BCS
  2065 Thioketene, H2CCSC2H2S
  2066 C2H3SC2H3S
  2067 Thioacetaldehyde (Geo)C2H4S
  2068 ThiiraneC2H4S
  2069 Thioethanol (Geo) C2H6S
  2070 Dimethyl thioetherC2H6S
  2071 Dimethyl thioether (Geo)C2H6S
  2072 ThioethanolC2H6S
  2073 (CH3)2S-BH3H9BC2S
  2074 ThietaneC3H6S
  2075 1-PropanthiolC3H8S
  2076 IsopropanthiolC3H8S
  2077 MethylethylthioetherC3H8S
  2078 ThiopheneC4H4S
  2079 Thiophene (Geo)C4H4S


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
Thioethanol
 GR=WHSMC03 <> <><> <><><> <><><> <><><> <><><> <C-S><><> <S-H><H-S-C>
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52172064 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09894718 +1  112.5044284 +1    0.0000000 +0     2     1     0
  H     1.09898604 +1  112.4160911 +1  121.2312430 +1     2     1     3
  H     1.09889234 +1  110.8065880 +1 -119.4228308 +1     2     1     3
  H     1.10698184 +1  110.3807383 +1   61.8095574 +1     1     2     3
  H     1.10701777 +1  110.3720888 +1  179.2141231 +1     1     2     3
  S     1.82000000 +1  109.4166387 +1  -59.5037834 +1     1     2     3
  H     1.32200000 +1   96.2000000 +1  179.7665997 +1     8     1     2