PM7 Accuracy

(ch3)2s=s   2246 (CH3)2S=S

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    #  Species Formula
  2236 Sulfur dimer (Geo)S2
  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=S C2H6S2
  2247 1,2-EthanedithiolC2H6S2
  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


DHf: 4.0 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
(CH3)2S=S
 H=4.0 HR=WHSMC03
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.93097588  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.82172635  1  109.0862917  1    0.0000000  0     1     2     0
  C     1.82169523  1  109.0731563  1  106.6436143  1     1     2     3
  H     1.09578529  1  113.9430720  1   52.7831239  1     3     1     2
  H     1.09396880  1  110.7612966  1  122.0212147  1     3     1     5
  H     1.09898819  1  109.7188095  1  118.5112886  1     3     1     6
  H     1.09381970  1  110.7777022  1 -175.7913892  1     4     1     2
  H     1.09574026  1  113.9632266  1  122.0887880  1     4     1     8
  H     1.09917386  1  109.6947238  1  119.3931218  1     4     1     9