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: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for S-O

17 01 10 14 40

HF/cc-pCVTZ

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.58 are in the 1.58 bin. Values less than 1.38 are in the 1.38 bin.

histogram chart 5 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 3 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 2 line histogram chart line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line
histogram chart 1 line histogram chart line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
histogram chart 0 line histogram chart line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line line line
1.38 1.40 1.42 1.44 1.46 1.48 1.50 1.52 1.54 1.56 1.58
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.427 0.056

  Species Name Bond Length (Å)
Lowest value SO3 Sulfur trioxide 1.385
Highest value H2SO4 Sulfuric acid 1.545

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO Sulfur monoxide 1.444 1 2
SO2 Sulfur dioxide 1.395 1 2
    1.395 1 3
NSO sulfinyl amidogen 1.434 1 3
ClSO Sulfur chloride oxide 1.433 2 3
SO3 Sulfur trioxide 1.385 1 2
    1.385 1 3
    1.385 1 4
H2SO4 Sulfuric acid 1.391 1 2
    1.391 1 3
    1.545 1 4
    1.545 1 5