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/6-31G(2df,p) for rFS

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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 histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SF5Cl sulfur chloropentafluoride0.002
Most positive difference SOF4 Sulfur tetrafluoride oxide0.017

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SF5Cl sulfur chloropentafluoride 1.576 0.002
SFCl Sulfur chloride fluoride 1.606 0.006
SOF4 Sulfur tetrafluoride oxide 1.596 0.007
SO2F2 Sulfuryl fluoride 1.530 0.011
FSN Thiazyl fluoride 1.643 0.015
SOF4 Sulfur tetrafluoride oxide 1.539 0.017