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

B3LYP/aug-cc-pVTZ for rSF

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SF Monosulfur monofluoride0.021
Most positive difference SF4 Sulfur tetrafluoride0.036

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SF Monosulfur monofluoride 1.599 0.021
SF2 sulfur difluoride 1.587 0.028
SF6 Sulfur Hexafluoride 1.561 0.029
SF4 Sulfur tetrafluoride 1.545 0.031
SF4 Sulfur tetrafluoride 1.646 0.036