Accuracy

s-b-b-s   2239 S-B-B-S

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  2229 SiC3S(-) (ITIBOC)C9H21O3SiS
  2230 Phosphorus monosulfidePS
  2231 Phosphorus sulfidePS
  2232 Thiophosphoryl fluoride (Geo)F3PS
  2233 Sulfur dimer (Geo)S2
  2234 Sulfur dimerS2
  2235 HS2HS2
  2236 H2S2 (Geo)H2S2
  2237 Hydrogen disulfideH2S2
  2238 BS2BS2
  2239 S-B-B-S B2S2
  2240 Carbon disulfideCS2
  2241 Carbon disulfide (Geo)CS2
  2242 CH3SSHCH4S2
  2243 (CH3)2S=SC2H6S2
  2244 1,2-EthanedithiolC2H6S2
  2245 2,3-DithiabutaneC2H6S2
  2246 CH3SCH2SHC2H6S2
  2247 2,3-Dithiabutane (Geo)C2H6S2
  2248 Ethanedithiol-1,2C2H6S2
  2249 2,3-Dithiabutane (Geo)C2H6S2


ΔHf: 36.1 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
  
 UHF FIELD=(0.1,0.1,0.1) PM7
S-B-B-S
 H=36.1 HR=WEPS1982
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     1.57081131 +1    0.0000000 +0    0.0000000 +0     1     0     0
  B     1.51428294 +1  180.0000000 +0    0.0000000 +0     2     1     0
  S     1.58121526 +1  180.0000000 +0    7.0000000 +1     3     2     1