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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/TZVP
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| 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.095 | 0.070 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl+ | sulfur monochloride cation | 1.952 |
| Highest value | ClSO | Sulfur chloride oxide | 2.182 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl | sulfur monochloride | 2.062 | 1 | 2 |
| SCl+ | sulfur monochloride cation | 1.952 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.109 | 1 | 2 |
| 2.109 | 1 | 3 | ||
| ClSO | Sulfur chloride oxide | 2.182 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.089 | 1 | 3 |
| SF5Cl | sulfur chloropentafluoride | 2.165 | 1 | 2 |