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

HF/TZVP for rSS

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


Differences greater than 0.080 are in the 0.080 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference S2+ sulfur diatomic cation-0.032
Most positive difference ClSSCl Disulfur dichloride0.083

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
S2+ sulfur diatomic cation 1.825 -0.032
SSO Disulfur monoxide 1.884 -0.008
S2 Sulfur diatomic 1.889 -0.004
S8 Octasulfur 2.059 0.015
HSSSH trisulfane 2.054 0.022
H2S2 Disulfane 2.056 0.024
CH3SSCH3 Disulfide, dimethyl 2.038 0.029
CH3SSH Hydrogen methyl disulfide 2.038 0.036
ClS2 Sulfur chloride 1.906 0.056
FSSF Difluorodisulfane 1.890 0.077
ClSSCl Disulfur dichloride 1.931 0.083