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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 | |
BLYP/cc-pCVDZ
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| 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.120 | 0.064 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl | sulfur monochloride | 2.056 |
| Highest value | ClSO | Sulfur chloride oxide | 2.183 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl | sulfur monochloride | 2.056 | 1 | 2 |
| ClSO | Sulfur chloride oxide | 2.183 | 1 | 2 |