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

1,2-ethanedithiol   2245 1,2-Ethanedithiol

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    #  Species Formula
  2235 Sulfur dimerS2
  2236 HS2HS2
  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-Ethanedithiol C2H6S2
  2246 2,3-DithiabutaneC2H6S2
  2247 CH3SCH2SHC2H6S2
  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


ΔHf: -2.3 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
1,2-Ethanedithiol
 HR=WHSMC03 H=-2.3
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51547561 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.84767031 +1  108.1132023 +1    0.0000000 +0     2     1     0
  S     1.84766432 +1  108.1009073 +1 -179.9368879 +1     1     2     3
  H     1.10790646 +1  111.8228856 +1  119.9845650 +1     1     2     4
  H     1.10786864 +1  111.8172119 +1  119.9963136 +1     1     2     5
  H     1.10791856 +1  111.8176505 +1  119.9787007 +1     2     1     3
  H     1.10787103 +1  111.8122997 +1  119.9826717 +1     2     1     7
  H     1.33909362 +1   99.3298784 +1 -179.9935866 +1     3     2     1
  H     1.33910124 +1   99.3369176 +1 -179.9957104 +1     4     1     2