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

HF/6-31G for rSCl

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


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 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 histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SO2Cl2 Sulfuryl chloride0.108
Most positive difference SCl sulfur monochloride0.248

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SO2Cl2 Sulfuryl chloride 2.076 0.108
ClS2 Sulfur chloride 2.071 0.140
ClSSCl Disulfur dichloride 2.057 0.142
SOCl2 thionyl chloride 2.076 0.143
SCl2 Sulfur dichloride 2.013 0.171
SFCl Sulfur chloride fluoride 1.994 0.179
SF5Cl sulfur chloropentafluoride 2.030 0.188
SCl sulfur monochloride 1.975 0.248