return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Bonds

18 10 26 16 45

B3LYP/SDD for rSS

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S2+ sulfur diatomic cation0.164
Most positive difference FSSF Difluorodisulfane0.289

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2+ sulfur diatomic cation 1.825 0.164
S2 Sulfur diatomic 1.889 0.191
ClS2 Sulfur chloride 1.906 0.193
S3 Sulfur trimer 1.917 0.211
S8 Octasulfur 2.059 0.216
HSSSH trisulfane 2.054 0.228
SSO Disulfur monoxide 1.884 0.234
H2S2 Disulfane 2.056 0.235
CH3SSCH3 Disulfide, dimethyl 2.038 0.238
ClSSCl Disulfur dichloride 1.931 0.240
CH3SSH Hydrogen methyl disulfide 2.038 0.246
FSSF Difluorodisulfane 1.890 0.289