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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 | |
CCSD(T)/6-31+G**
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| 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.488 | 0.035 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO2H+ | protonated sulfur dioxide | 1.446 |
| Highest value | SOH+ | Sulfur Monoxide, protonated | 1.572 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.521 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.484 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.572 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.473 | 1 | 2 |
| 1.473 | 1 | 3 | ||
| SSO | Disulfur monoxide | 1.501 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.492 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.499 | 2 | 3 |
| SO2H+ | protonated sulfur dioxide | 1.566 | 1 | 2 |
| 1.446 | 1 | 3 | ||
| SO3 | Sulfur trioxide | 1.458 | 1 | 2 |
| 1.458 | 1 | 3 | ||
| 1.458 | 1 | 4 | ||
| CH3SO2NH2 | methanesulfonamide | 1.470 | 2 | 4 |
| 1.470 | 2 | 5 | ||
| C2H6O2S | Dimethyl sulfone | 1.476 | 1 | 2 |
| 1.476 | 1 | 3 |