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

HSEh1PBE/TZVP for rOCl

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


Differences greater than 0.110 are in the 0.110 bin. Differences less than -0.010 are in the -0.010 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
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HClO4 perchloric acid0.032
Most positive difference ClOOCl Dichlorine dioxide0.070

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HClO4 perchloric acid 1.414 0.032
ClOF3 Chlorine trifluoride oxide 1.405 0.034
HClO4 perchloric acid 1.641 0.048
HClO4 perchloric acid 1.404 0.052
ClOOCl Dichlorine dioxide 1.704 0.070