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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/cc-pCVDZ
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| 1.49 | 1.49 | 1.50 | 1.50 | 1.51 | 1.51 | 1.52 | 1.52 | 1.53 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.505 | 0.012 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | NSO | sulfinyl amidogen | 1.491 |
| Highest value | SO | Sulfur monoxide | 1.521 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.521 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.491 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.503 | 2 | 3 |