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

QCISD(TQ)=FULL/cc-pVQZ for rFO

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


Differences greater than 0.000 are in the 0.000 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.001 -0.001 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference FO Oxygen monofluoride-0.001
Most positive difference FO Oxygen monofluoride-0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
FO Oxygen monofluoride 1.354 -0.001