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Compare Calculated Bonds for S-O

17 01 10 14 40

LSDA/3-21G

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


Values greater than 1.90 are in the 1.90 bin. Values less than 1.45 are in the 1.45 bin.

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1.45 1.50 1.55 1.60 1.65 1.70 1.75 1.80 1.85 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.604 0.068

  Species Name Bond Length (Å)
Lowest value MgSO4 Magnesium Sulfate 1.455
Highest value C2H6O3S Sulfurous acid, dimethyl ester 1.802

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO- sulfur monoxide anion 1.652 1 2
SO Sulfur monoxide 1.624 1 2
SO+ sulfur monoxide cation 1.462 1 2
SO2- Sulfur dioxide anion 1.661 1 2
    1.661 1 3
SO2 Sulfur dioxide 1.584 1 2
    1.584 1 3
SO2+ Sulfur dioxide cation 1.590 1 2
    1.590 1 3
SSO Disulfur monoxide 1.603 1 2
SO3- Sulfur trioxide anion 1.627 1 2
    1.627 1 3
    1.627 1 4
SO3 Sulfur trioxide 1.573 1 2
    1.573 1 3
    1.573 1 4
SO3+ Sulfur trioxide cation 1.595 1 2
    1.595 1 3
    1.595 1 4
SOCl2 thionyl chloride 1.572 1 2
SO4-- sulfate 1.608 1 2
    1.608 1 3
    1.608 1 4
    1.608 1 5
SO2Cl2 Sulfuryl chloride 1.565 1 2
    1.565 1 3
HSO3F Fluorosulfonic acid 1.716 1 3
    1.555 3 5
    1.547 3 6
H2SO4 Sulfuric acid 1.561 1 2
    1.561 1 3
    1.718 1 4
    1.718 1 5
C2H6O2S Dimethyl sulfone 1.579 1 2
    1.579 1 3
MgSO4 Magnesium Sulfate 1.629 2 3
    1.629 2 4
    1.455 2 5
    1.455 2 6
C3H4O2S 2H-Thiete-1,1-dioxide 1.579 1 2
    1.579 1 3
C2H6O3S Sulfurous acid, dimethyl ester 1.595 1 2
    1.802 1 3
    1.801 1 4
C4H6OS Vinyl sulfoxide 1.639 1 2
C3H8O2S (Methylsulfonyl)ethane 1.588 12 13
    1.580 12 14