Accuracy

methylethylthioether   2077 Methylethylthioether

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    #  Species Formula
  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 Methylethylthioether C3H8S
  2078 ThiopheneC4H4S
  2079 Thiophene (Geo)C4H4S
  2080 2,3-DihydrothiopheneC4H6S
  2081 2,5-DihydrothiopheneC4H6S
  2082 cis DimethylthiiraneC4H8S
  2083 TetrahydrothiopheneC4H8S
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S


ΔHf: -14.2 kcal/mol,     REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
  
 PM7
Methylethylthioether
 H=-14.2 HR=MO1963
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.82223158 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.84243469 +1  101.8595120 +1    0.0000000 +0     2     1     0
  C     1.51913887 +1  108.8617379 +1  179.9280885 +1     3     2     1
  H     1.09906075 +1  110.6743327 +1 -179.9212826 +1     4     3     2
  H     1.09876251 +1  112.4509214 +1   60.7225965 +1     4     3     2
  H     1.09877711 +1  112.4633469 +1  -60.5583663 +1     4     3     2
  H     1.10426285 +1  109.7029522 +1   58.4753500 +1     3     2     1
  H     1.10427451 +1  109.6915395 +1  -58.6136857 +1     3     2     1
  H     1.09729951 +1  107.8957120 +1 -179.8620264 +1     1     2     3
  H     1.09370419 +1  112.0391984 +1   61.3910484 +1     1     2     3
  H     1.09370893 +1  112.0551370 +1  -61.1037552 +1     1     2     3