PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ch3chsr   2068 Thioacetaldehyde (Geo)

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    #  Species Formula
  2058 Carbon sulfideCS
  2059 Carbon sulfide (Geo)CS
  2060 Thioformaldehyde (Geo)CH2S
  2061 ThioformaldehydeCH2S
  2062 Methanethio radicalCH3S
  2063 Thiomethanol (Geo)CH4S
  2064 ThiomethanolCH4S
  2065 CH3-B=S (Geo)H3BCS
  2066 Thioketene, H2CCSC2H2S
  2067 C2H3SC2H3S
  2068 Thioacetaldehyde (Geo) C2H4S
  2069 ThiiraneC2H4S
  2070 Thioethanol (Geo)C2H6S
  2071 Dimethyl thioetherC2H6S
  2072 Dimethyl thioether (Geo)C2H6S
  2073 ThioethanolC2H6S
  2074 (CH3)2S-BH3H9BC2S
  2075 ThietaneC3H6S
  2076 1-PropanthiolC3H8S
  2077 IsopropanthiolC3H8S
  2078 MethylethylthioetherC3H8S


REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 NOINTER NOXYZ PM7
Thioacetaldehyde
 <> <><> <><><> <><><> <><><> <C-S><C-C-S> GR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.48317982 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10328419 +1  111.3675261 +1    0.0000000 +0     2     1     0
  H     1.10320275 +1  111.3782701 +1  118.7557310 +1     2     1     3
  H     1.10217560 +1  114.1287035 +1 -120.5742781 +1     2     1     3
  H     1.09948401 +1  113.8250571 +1  -59.4552705 +1     1     2     3
  S     1.61000000 +1  125.3000000 +1  120.5353964 +1     1     2     3