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 | ||||||||||||||||||||||||||||||||||||||||
1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.664 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HSO3F | Fluorosulfonic acid | 1.597 |
Highest value | C2H6O3S | Sulfurous acid, dimethyl ester | 1.830 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.634 | 1 | 2 |
SO2 | Sulfur dioxide | 1.615 | 1 | 2 |
1.615 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.634 | 1 | 2 |
SO3 | Sulfur trioxide | 1.621 | 1 | 2 |
1.621 | 1 | 3 | ||
1.621 | 1 | 4 | ||
SOCl2 | thionyl chloride | 1.599 | 1 | 2 |
SO2Cl2 | Sulfuryl chloride | 1.613 | 1 | 2 |
1.613 | 1 | 3 | ||
HSO3F | Fluorosulfonic acid | 1.786 | 1 | 3 |
1.611 | 3 | 5 | ||
1.597 | 3 | 6 | ||
H2SO4 | Sulfuric acid | 1.614 | 1 | 2 |
1.614 | 1 | 3 | ||
1.805 | 1 | 4 | ||
1.805 | 1 | 5 | ||
C2H6O2S | Dimethyl sulfone | 1.656 | 1 | 2 |
1.656 | 1 | 3 | ||
C3H4O2S | 2H-Thiete-1,1-dioxide | 1.644 | 1 | 2 |
1.644 | 1 | 3 | ||
C2H6O3S | Sulfurous acid, dimethyl ester | 1.623 | 1 | 2 |
1.830 | 1 | 3 | ||
1.830 | 1 | 4 | ||
C4H6OS | Vinyl sulfoxide | 1.689 | 1 | 2 |
C3H8O2S | (Methylsulfonyl)ethane | 1.656 | 12 | 13 |
1.656 | 12 | 14 | ||
C4H10OS | Diethyl sulfoxide | 1.698 | 14 | 15 |