Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G*
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0 | |||||||||||||||||||||||||
1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.500 | 0.069 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HSO3F | Fluorosulfonic acid | 1.438 |
Highest value | C2H6O3S | Sulfurous acid, dimethyl ester | 1.686 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.518 | 1 | 2 |
SO2 | Sulfur dioxide | 1.468 | 1 | 2 |
1.468 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.491 | 1 | 2 |
SO3 | Sulfur trioxide | 1.455 | 1 | 2 |
1.455 | 1 | 3 | ||
1.455 | 1 | 4 | ||
SOCl2 | thionyl chloride | 1.467 | 1 | 2 |
SO2Cl2 | Sulfuryl chloride | 1.452 | 1 | 2 |
1.452 | 1 | 3 | ||
HSO3F | Fluorosulfonic acid | 1.608 | 1 | 3 |
1.448 | 3 | 5 | ||
1.438 | 3 | 6 | ||
H2SO4 | Sulfuric acid | 1.450 | 1 | 2 |
1.450 | 1 | 3 | ||
1.626 | 1 | 4 | ||
1.626 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.476 | 1 | 2 |
1.476 | 1 | 3 | ||
C3H4O2S | 2H-Thiete-1,1-dioxide | 1.471 | 1 | 2 |
1.471 | 1 | 3 | ||
C2H6O3S | Sulfurous acid, dimethyl ester | 1.482 | 1 | 2 |
1.686 | 1 | 3 | ||
1.641 | 1 | 4 | ||
C4H6OS | Vinyl sulfoxide | 1.515 | 1 | 2 |
C3H8O2S | (Methylsulfonyl)ethane | 1.478 | 12 | 13 |
1.477 | 12 | 14 |