PM7 Accuracy

1,2-ethanedithiol   2247 1,2-Ethanedithiol

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    #  Species Formula
  2237 Sulfur dimerS2
  2238 HS2HS2
  2239 H2S2 (Geo)H2S2
  2240 Hydrogen disulfideH2S2
  2241 BS2BS2
  2242 S-B-B-SB2S2
  2243 Carbon disulfideCS2
  2244 Carbon disulfide (Geo)CS2
  2245 CH3SSHCH4S2
  2246 (CH3)2S=SC2H6S2
  2247 1,2-Ethanedithiol C2H6S2
  2248 2,3-DithiabutaneC2H6S2
  2249 CH3SCH2SHC2H6S2
  2250 2,3-Dithiabutane (Geo)C2H6S2
  2251 Ethanedithiol-1,2C2H6S2
  2252 2,3-Dithiabutane (Geo)C2H6S2
  2253 Propane-1,3-dithiolC3H8S2
  2254 (C2H5S)2C4H10S2
  2255 1,4-ButanedithiolC4H10S2
  2256 3,6-DithiaoctaneC6H14S2
  2257 Dipropyl disulfideC6H14S2


DHf: -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