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

me2s2r   2250 2,3-Dithiabutane (Geo)

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    #  Species Formula
  2240 S-B-B-SB2S2
  2241 Carbon disulfideCS2
  2242 Carbon disulfide (Geo)CS2
  2243 CH3SSHCH4S2
  2244 (CH3)2S=SC2H6S2
  2245 1,2-EthanedithiolC2H6S2
  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
  2256 Ethyl tert-butyl disulfideC6H14S2
  2257 Isopropyl tert-butyl disulfideC7H16S2
  2258 Di-tert-butyl disulfideC8H18S2
  2259 DibutyldisulfideC8H18S2
  2260 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  108.5588759 +1   85.8572214 +1     3     2     1
  H     1.09713089 +1  112.6466382 +1   59.9205688 +1     1     2     3
  H     1.10033884 +1  108.2867383 +1  178.3787926 +1     1     2     3
  H     1.09533221 +1  112.9086855 +1  -62.9695061 +1     1     2     3
  H     1.09658881 +1  112.6659545 +1   59.3760123 +1     4     3     2
  H     1.09965212 +1  107.5842902 +1  177.8169503 +1     4     3     2
  H     1.09515225 +1  112.8049080 +1  -63.4996233 +1     4     3     2