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

TPSSh/cc-pVTZ for rSO

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SO2Cl2 Sulfuryl chloride-0.003
Most positive difference C2H6O2S Dimethyl sulfone0.028

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SO2Cl2 Sulfuryl chloride 1.443 -0.003
SOCl2 thionyl chloride 1.443 0.003
H2SO4 Sulfuric acid 1.422 0.006
CH3SOCH3 Dimethyl sulfoxide 1.485 0.018
H2SO4 Sulfuric acid 1.574 0.019
SOF4 Sulfur tetrafluoride oxide 1.409 0.019
HOSH hydrogen thioperoxide 1.662 0.020
SSO Disulfur monoxide 1.456 0.021
SO Sulfur monoxide 1.481 0.021
SO2 Sulfur dioxide 1.432 0.023
SO3 Sulfur trioxide 1.418 0.025
C2H6O2S Dimethyl sulfone 1.431 0.028