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

MP2=FULL/aug-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 2 histogram chart
histogram chart 0 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 SOCl2 thionyl chloride-0.000
Most positive difference SO2 Sulfur dioxide0.027

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SOCl2 thionyl chloride 1.443 -0.000
SOF4 Sulfur tetrafluoride oxide 1.409 0.012
HOSH hydrogen thioperoxide 1.662 0.012
SO Sulfur monoxide 1.481 0.016
CH3SOCH3 Dimethyl sulfoxide 1.485 0.017
C2H6O2S Dimethyl sulfone 1.431 0.023
SO3 Sulfur trioxide 1.418 0.023
SSO Disulfur monoxide 1.456 0.027
SO2 Sulfur dioxide 1.432 0.027