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

ch3sch2sh   2247 CH3SCH2SH

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    #  Species Formula
  2237 H2S2 (Geo)H2S2
  2238 Hydrogen disulfideH2S2
  2239 BS2BS2
  2240 S-B-B-SB2S2
  2241 Carbon disulfideCS2
  2242 Carbon disulfide (Geo)CS2
  2243 CH3SSHCH4S2
  2244 (CH3)2S=SC2H6S2
  2245 1,2-EthanedithiolC2H6S2
  2246 2,3-DithiabutaneC2H6S2
  2247 CH3SCH2SH C2H6S2
  2248 2,3-Dithiabutane (Geo)C2H6S2
  2249 Ethanedithiol-1,2C2H6S2
  2250 2,3-Dithiabutane (Geo)C2H6S2
  2251 Propane-1,3-dithiolC3H8S2
  2252 (C2H5S)2C4H10S2
  2253 1,4-ButanedithiolC4H10S2
  2254 3,6-DithiaoctaneC6H14S2
  2255 Dipropyl disulfideC6H14S2
  2256 Ethyl tert-butyl disulfideC6H14S2
  2257 Isopropyl tert-butyl disulfideC7H16S2


ΔHf: 0.1 kcal/mol,     REF: J. J. Grabowski, L. Zhang, J. Am. Chem. Soc., 111, 1193 (1989).
  
 PM7
CH3SCH2SH
 H=0.1 HR=GZ1989
  C    -0.04924768 +1  -0.06111388 +1   0.00752691 +1
  S     1.76717751 +1  -0.03687240 +1   0.04829950 +1
  C     2.18806982 +1   1.73645950 +1  -0.00374381 +1
  S     1.81263057 +1   2.67445816 +1   1.51983596 +1
  H     2.44536430 +1   1.92642347 +1   2.43436748 +1
  H     3.26805099 +1   1.79781257 +1  -0.23953681 +1
  H     1.65942658 +1   2.24721637 +1  -0.83031959 +1
  H    -0.49611445 +1   0.53544217 +1   0.81183927 +1
  H    -0.44756267 +1   0.29472903 +1  -0.94760353 +1
  H    -0.37183685 +1  -1.10178035 +1   0.14460360 +1