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Compare Calculated Bonds for S-O

17 01 10 14 40

B2PLYP=FULLultrafine/6-31G*

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
1.504 0.063

  Species Name Bond Length (Å)
Lowest value SO2F2 Sulfuryl fluoride 1.434
Highest value SOH Sulfur Hydroxide 1.660

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
SO- sulfur monoxide anion 1.623 1 2
SO Sulfur monoxide 1.522 1 2
SO+ sulfur monoxide cation 1.453 1 2
HSO+ Sulfur Monoxide, S-protonated 1.472 1 2
SOH Sulfur Hydroxide 1.660 1 2
SOH+ Sulfur Monoxide, protonated 1.565 1 2
SO2- Sulfur dioxide anion 1.545 1 2
    1.545 1 3
SO2 Sulfur dioxide 1.471 1 2
    1.471 1 3
SO2+ Sulfur dioxide cation 1.467 1 2
    1.467 1 3
SSO Disulfur monoxide 1.497 1 2
NSO sulfinyl amidogen 1.484 1 3
SO3- Sulfur trioxide anion 1.511 1 2
    1.511 1 3
    1.511 1 4
SO3 Sulfur trioxide 1.457 1 2
    1.457 1 3
    1.457 1 4
SO3+ Sulfur trioxide cation 1.468 1 2
    1.468 1 3
    1.468 1 4
CH3SOCH3 Dimethyl sulfoxide 1.512 1 2
SO2F2 Sulfuryl fluoride 1.434 1 2
    1.434 1 3
H2SO4 Sulfuric acid 1.445 1 2
    1.445 1 3
    1.623 1 4
    1.623 1 5
C3H4O2S 2H-Thiete-1,1-dioxide 1.454 1 2
    1.454 1 3
C2H6O3S Sulfurous acid, dimethyl ester 1.466 1 2
    1.655 1 3
    1.615 1 4
C4H6OS Vinyl sulfoxide 1.503 1 2
C3H8O2S (Methylsulfonyl)ethane 1.460 12 13
    1.460 12 14
C4H10OS Diethyl sulfoxide 1.509 14 15