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/daug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.475 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SO+ | sulfur monoxide cation | 1.443 |
Highest value | CH3SOCH3 | Dimethyl sulfoxide | 1.527 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SO | Sulfur monoxide | 1.514 | 1 | 2 |
SO+ | sulfur monoxide cation | 1.443 | 1 | 2 |
HSO+ | Sulfur Monoxide, S-protonated | 1.465 | 1 | 2 |
SO2 | Sulfur dioxide | 1.470 | 1 | 2 |
1.470 | 1 | 3 | ||
SSO | Disulfur monoxide | 1.492 | 1 | 2 |
SO3 | Sulfur trioxide | 1.457 | 1 | 2 |
1.457 | 1 | 3 | ||
1.457 | 1 | 4 | ||
CH3SOCH3 | Dimethyl sulfoxide | 1.527 | 1 | 2 |