Accuracy

propane-1,3-dithiol   2250 Propane-1,3-dithiol

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    #  Species Formula
  2240 Carbon disulfideCS2
  2241 Carbon disulfide (Geo)CS2
  2242 CH3SSHCH4S2
  2243 (CH3)2S=SC2H6S2
  2244 1,2-EthanedithiolC2H6S2
  2245 2,3-DithiabutaneC2H6S2
  2246 CH3SCH2SHC2H6S2
  2247 2,3-Dithiabutane (Geo)C2H6S2
  2248 Ethanedithiol-1,2C2H6S2
  2249 2,3-Dithiabutane (Geo)C2H6S2
  2250 Propane-1,3-dithiol C3H8S2
  2251 (C2H5S)2C4H10S2
  2252 1,4-ButanedithiolC4H10S2
  2253 3,6-DithiaoctaneC6H14S2
  2254 Dipropyl disulfideC6H14S2
  2255 Ethyl tert-butyl disulfideC6H14S2
  2256 Isopropyl tert-butyl disulfideC7H16S2
  2257 Di-tert-butyl disulfideC8H18S2
  2258 DibutyldisulfideC8H18S2
  2259 Diphenyl disulfideC12H10S2
  2260 Diisopropyldithiocarbamic acidC7H15NS2


ΔHf: -7.0 kcal/mol,     REF: M. Mansson, S. Sunner, Acta Chem. Scand., 16, 1863 (1962).
  
 PM7
Propane-1,3-dithiol
 H=-7.0 HR=MS1962
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.84193598 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52919904 +1  108.9887212 +1    0.0000000 +0     2     1     0
  C     1.52866184 +1  109.0617066 +1 -179.5974193 +1     3     2     1
  S     1.84182694 +1  108.9128672 +1  179.9172334 +1     4     3     2
  H     1.33844905 +1   99.3983991 +1  179.8853469 +1     5     4     3
  H     1.10457344 +1  110.7976281 +1   59.3839795 +1     4     3     2
  H     1.10460117 +1  110.7942266 +1  -59.5264023 +1     4     3     2
  H     1.11213707 +1  110.4790538 +1   58.7054891 +1     3     2     1
  H     1.11219455 +1  110.4857038 +1  -57.8576652 +1     3     2     1
  H     1.10450891 +1  110.7855709 +1   59.8690799 +1     2     3     4
  H     1.10454092 +1  110.7903942 +1  -59.0287096 +1     2     3     4
  H     1.33845021 +1   99.3783390 +1 -179.7400228 +1     1     2     3