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

PBEPBE/6-31G for rClO

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 2
histogram chart 0 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 HOCl hypochlorous acid0.158
Most positive difference OClO Chlorine dioxide0.273

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HOCl hypochlorous acid 1.697 0.158
ClO Monochlorine monoxide 1.596 0.169
OClO Chlorine dioxide 1.470 0.273