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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 | |
MP2/aug-cc-pVQZ
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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) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.481 | 0.055 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO3 | Sulfur trioxide | 1.434 |
| Highest value | HOSH | hydrogen thioperoxide | 1.669 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO- | sulfur monoxide anion | 1.546 | 1 | 2 |
| SO | Sulfur monoxide | 1.491 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.451 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.454 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.536 | 1 | 2 |
| HOSH | hydrogen thioperoxide | 1.669 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.451 | 1 | 2 |
| 1.451 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.475 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.445 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.450 | 2 | 3 |
| SO3- | Sulfur trioxide anion | 1.481 | 1 | 2 |
| 1.481 | 1 | 3 | ||
| 1.481 | 1 | 4 | ||
| SO3 | Sulfur trioxide | 1.434 | 1 | 2 |
| 1.434 | 1 | 3 | ||
| 1.434 | 1 | 4 | ||
| CH3SOCH3 | Dimethyl sulfoxide | 1.493 | 1 | 2 |