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

B2PLYP=FULLultrafine/3-21G for rOCl

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClOOCl Dichlorine dioxide0.178
Most positive difference ClOF3 Chlorine trifluoride oxide0.211

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClOOCl Dichlorine dioxide 1.704 0.178
ClOF3 Chlorine trifluoride oxide 1.405 0.211