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Compare Calculated Bonds for S-O

17 01 10 14 40

LSDA/aug-cc-pVTZ

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


Values greater than 1.66 are in the 1.66 bin. Values less than 1.42 are in the 1.42 bin.

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1.42 1.44 1.46 1.48 1.50 1.52 1.54 1.56 1.58 1.60 1.62 1.64 1.66
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.484 0.062

  Species Name Bond Length (Å)
Lowest value SO2F2 Sulfuryl fluoride 1.422
Highest value H2SO3 Sulfurous acid 1.634

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO- sulfur monoxide anion 1.578 1 2
SO Sulfur monoxide 1.498 1 2
SO+ sulfur monoxide cation 1.436 1 2
SO2- Sulfur dioxide anion 1.525 1 2
    1.525 1 3
SO2 Sulfur dioxide 1.454 1 2
    1.454 1 3
SO2+ Sulfur dioxide cation 1.443 1 2
    1.443 1 3
ClSO Sulfur chloride oxide 1.478 2 3
SO2H+ protonated sulfur dioxide 1.544 1 2
    1.428 1 3
SO3- Sulfur trioxide anion 1.496 1 2
    1.496 1 3
    1.496 1 4
SO3+ Sulfur trioxide cation 1.444 1 2
    1.444 1 3
    1.444 1 4
F2SO Thionyl Fluoride 1.436 1 2
H2SO3 Sulfurous acid 1.470 1 2
    1.634 1 3
    1.634 1 4
SO2F2 Sulfuryl fluoride 1.422 1 2
    1.422 1 3
CH3SO2NH2 methanesulfonamide 1.451 2 4
    1.451 2 5
C2H6O2S Dimethyl sulfone 1.456 1 2
    1.456 1 3
MgSO4 Magnesium Sulfate 1.605 2 3
    1.605 2 4
    1.445 2 5
    1.445 2 6
SOF4 Sulfur tetrafluoride oxide 1.425 1 2