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

MP3/6-31G* for rOCl

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 0 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 HClO4 perchloric acid0.019
Most positive difference CH3OCl methyl hypochlorite0.042

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HClO4 perchloric acid 1.414 0.019
HClO4 perchloric acid 1.641 0.022
ClOF3 Chlorine trifluoride oxide 1.405 0.028
ClOOCl Dichlorine dioxide 1.704 0.031
HClO4 perchloric acid 1.404 0.039
CH3OCl methyl hypochlorite 1.674 0.042