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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 | |
wB97X-D/CEP-121G*
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| 2.03 | 2.04 | 2.04 | 2.05 | 2.05 | 2.06 | 2.06 | 2.07 | 2.07 | 2.08 | 2.08 | 2.09 | 2.09 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.062 | 0.027 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SFCl | Sulfur chloride fluoride | 2.035 |
| Highest value | ClSO | Sulfur chloride oxide | 2.089 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| ClSO | Sulfur chloride oxide | 2.089 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.035 | 1 | 3 |