PM7 Accuracy

me2s2r   2252 2,3-Dithiabutane (Geo)

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    #  Species Formula
  2242 S-B-B-SB2S2
  2243 Carbon disulfideCS2
  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)2C4H10S2
  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


REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
  
 PM7
2,3-Dithiabutane
 GEOREF <CS> <SS> <SSC> <CSSC> GR=CHKL1976
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.81000000  1    0.0000000  0    0.0000000  0     1     0     0
  S     2.03800000  1  102.8000000  1    0.0000000  0     2     1     0
  C     1.81000000  1  109.7055839  1   85.5747993  1     3     2     1
  H     1.09589959  1  112.4273965  1   59.9016084  1     1     2     3
  H     1.09853956  1  107.6135946  1  178.4836160  1     1     2     3
  H     1.09458329  1  112.6714208  1  -62.8307407  1     1     2     3
  H     1.09590918  1  112.4507841  1   59.3242858  1     4     3     2
  H     1.09860873  1  107.5881444  1  177.8931639  1     4     3     2
  H     1.09456497  1  112.6654973  1  -63.4279227  1     4     3     2