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

MP4/aug-cc-pVTZ

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


Values greater than 1.75 are in the 1.75 bin. Values less than 1.40 are in the 1.40 bin.

histogram chart 10 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 8 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
histogram chart 6 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
histogram chart 4 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
histogram chart 2 line line line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line histogram chart line line line line
1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.492 0.061

  Species Name Bond Length (Å)
Lowest value F2SO Thionyl Fluoride 1.445
Highest value HOSH hydrogen thioperoxide 1.688

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO Sulfur monoxide 1.510 1 2
SO+ sulfur monoxide cation 1.472 1 2
HSO+ Sulfur Monoxide, S-protonated 1.475 1 2
SOH+ Sulfur Monoxide, protonated 1.556 1 2
HOSH hydrogen thioperoxide 1.688 1 2
SO2 Sulfur dioxide 1.476 1 2
    1.476 1 3
ClSO Sulfur chloride oxide 1.468 2 3
SO2H+ protonated sulfur dioxide 1.557 1 2
    1.448 1 3
SO3 Sulfur trioxide 1.455 1 2
    1.455 1 3
    1.455 1 4
F2SO Thionyl Fluoride 1.445 1 2
C2H6O2S Dimethyl sulfone 1.465 1 2
    1.465 1 3