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=FULL/6-31G(2df,p) for rFAs

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


Differences greater than 0.006 are in the 0.006 bin. Differences less than -0.018 are in the -0.018 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.018 -0.016 -0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference AsF Arsenic monofluoride-0.016
Most positive difference AsF Arsenic monofluoride-0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
AsF Arsenic monofluoride 1.736 -0.016