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

B3PW91/aug-cc-pVDZ

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


Values greater than 1.80 are in the 1.80 bin. Values less than 1.40 are in the 1.40 bin.

histogram chart 16 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 14 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 line line line
histogram chart 12 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 line line line
histogram chart 10 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 line line line
histogram chart 8 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 line line line
histogram chart 6 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 line line line
histogram chart 4 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 line line line
histogram chart 2 line line line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart 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 histogram chart line line histogram chart line line histogram chart line line line line line line line
1.40 1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.518 0.073

  Species Name Bond Length (Å)
Lowest value SO2H+ protonated sulfur dioxide 1.449
Highest value HOSH hydrogen thioperoxide 1.702

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO Sulfur monoxide 1.521 1 2
SO+ sulfur monoxide cation 1.451 1 2
HSO+ Sulfur Monoxide, S-protonated 1.472 1 2
SOH+ Sulfur Monoxide, protonated 1.573 1 2
HOSH hydrogen thioperoxide 1.702 1 2
SO2 Sulfur dioxide 1.479 1 2
    1.479 1 3
SSO Disulfur monoxide 1.500 1 2
NSO sulfinyl amidogen 1.503 1 3
ClSO Sulfur chloride oxide 1.503 2 3
SO2H+ protonated sulfur dioxide 1.578 1 2
    1.449 1 3
SO3 Sulfur trioxide 1.466 1 2
    1.466 1 3
    1.466 1 4
CH3SOCH3 Dimethyl sulfoxide 1.534 1 2
SO2Cl2 Sulfuryl chloride 1.461 1 2
    1.461 1 3
HSO3F Fluorosulfonic acid 1.620 1 3
    1.458 3 5
    1.450 3 6
H2SO4 Sulfuric acid 1.461 1 2
    1.461 1 3
    1.637 1 4
    1.637 1 5
CH3SO2NH2 methanesulfonamide 1.483 2 4
    1.483 2 5
C2H6O2S Dimethyl sulfone 1.488 1 2
    1.488 1 3
MgSO4 Magnesium Sulfate 1.641 2 3
    1.641 2 4
    1.474 2 5
    1.474 2 6
SOF4 Sulfur tetrafluoride oxide 1.450 1 2
C3H4O2S 2H-Thiete-1,1-dioxide 1.483 1 2
    1.483 1 3
C2H6O3S Sulfurous acid, dimethyl ester 1.494 1 2
    1.683 1 3
    1.683 1 4
C3H8O2S (Methylsulfonyl)ethane 1.490 12 13
    1.489 12 14
C4H10OS Diethyl sulfoxide 1.537 14 15