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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 | |
ROMP2/6-31G
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| 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.656 | 0.048 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NSO | sulfinyl amidogen | 1.610 |
| Highest value | HSO3 | Hydroxysulfonyl radical | 1.822 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.659 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.660 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.633 | 1 | 2 |
| 1.633 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.633 | 1 | 2 |
| 1.633 | 1 | 3 | ||
| NSO | sulfinyl amidogen | 1.610 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.637 | 2 | 3 |
| SO3- | Sulfur trioxide anion | 1.656 | 1 | 2 |
| 1.656 | 1 | 3 | ||
| 1.656 | 1 | 4 | ||
| HSO3 | Hydroxysulfonyl radical | 1.822 | 1 | 2 |
| 1.661 | 1 | 3 | ||
| 1.637 | 1 | 4 |