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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
B97D3/6-31G
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| 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.668 | 0.077 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO+ | sulfur monoxide cation | 1.579 |
| Highest value | MgSO4 | Magnesium Sulfate | 1.863 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.657 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.579 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.619 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.690 | 1 | 2 |
| HOSH | hydrogen thioperoxide | 1.839 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.632 | 1 | 2 |
| 1.632 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.649 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.664 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.638 | 2 | 3 |
| SO2H+ | protonated sulfur dioxide | 1.747 | 1 | 2 |
| 1.589 | 1 | 3 | ||
| SO3 | Sulfur trioxide | 1.631 | 1 | 2 |
| 1.631 | 1 | 3 | ||
| 1.631 | 1 | 4 | ||
| CH3SOCH3 | Dimethyl sulfoxide | 1.676 | 1 | 2 |
| CH3SO2NH2 | methanesulfonamide | 1.640 | 2 | 4 |
| 1.640 | 2 | 5 | ||
| C2H6O2S | Dimethyl sulfone | 1.645 | 1 | 2 |
| 1.645 | 1 | 3 | ||
| MgSO4 | Magnesium Sulfate | 1.863 | 2 | 3 |
| 1.863 | 2 | 4 | ||
| 1.621 | 2 | 5 | ||
| 1.621 | 2 | 6 |