PM7 Accuracy

(c2h5s)2   2254 (C2H5S)2

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    #  Species Formula
  2244 Carbon disulfide (Geo)CS2
  2245 CH3SSHCH4S2
  2246 (CH3)2S=SC2H6S2
  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)2 C4H10S2
  2255 1,4-ButanedithiolC4H10S2
  2256 3,6-DithiaoctaneC6H14S2
  2257 Dipropyl disulfideC6H14S2
  2258 Ethyl tert-butyl disulfideC6H14S2
  2259 Isopropyl tert-butyl disulfideC7H16S2
  2260 Di-tert-butyl disulfideC8H18S2
  2261 DibutyldisulfideC8H18S2
  2262 Diphenyl disulfideC12H10S2
  2263 Diisopropyldithiocarbamic acidC7H15NS2
  2264 Dipropyldithiocarbamic acidC7H15NS2


DHf: -17.8 kcal/mol,     REF: H. Mackle, R. T. B. McLean, Trans. Faraday Soc., 59, 669 (1963).
  
 PM7
(C2H5S)2
 H=-17.8 HR=MM1963
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51880446  1    0.0000000  0    0.0000000  0     1     0     0
  S     1.84153671  1  108.1317396  1    0.0000000  0     2     1     0
  S     1.99590721  1  108.4073891  1  177.2879051  1     3     2     1
  C     1.84174362  1  108.4034058  1   87.4595899  1     4     3     2
  C     1.51875485  1  108.0935510  1  176.6972560  1     5     4     3
  H     1.09973814  1  110.5145805  1 -179.7768737  1     6     5     4
  H     1.09894872  1  112.6421687  1   60.9967025  1     6     5     4
  H     1.09923497  1  112.6029558  1  -60.6518573  1     6     5     4
  H     1.10580343  1  110.0065466  1   55.4978356  1     5     4     3
  H     1.10450292  1  110.1146627  1  -62.0266586  1     5     4     3
  H     1.10582314  1  110.0174621  1   56.0735634  1     2     3     4
  H     1.10457013  1  110.1325511  1  -61.4371149  1     2     3     4
  H     1.09969693  1  110.5222648  1 -179.7082375  1     1     2     3
  H     1.09890448  1  112.6447758  1   61.0567453  1     1     2     3
  H     1.09921777  1  112.6014797  1  -60.5827156  1     1     2     3