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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 | |
HSEh1PBE/3-21G
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| 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.282 | 0.066 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl+ | sulfur monochloride cation | 2.107 |
| Highest value | SOCl2 | thionyl chloride | 2.349 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl- | sulfur monochloride anion | 2.327 | 1 | 2 |
| SCl | sulfur monochloride | 2.201 | 1 | 2 |
| SCl+ | sulfur monochloride cation | 2.107 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.232 | 1 | 2 |
| 2.232 | 1 | 3 | ||
| ClS2 | Sulfur chloride | 2.308 | 1 | 2 |
| ClSO | Sulfur chloride oxide | 2.326 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.248 | 1 | 3 |
| SOCl2 | thionyl chloride | 2.349 | 1 | 3 |
| 2.349 | 1 | 4 | ||
| ClSSCl | Disulfur dichloride | 2.272 | 1 | 3 |
| 2.272 | 2 | 4 | ||
| SO2Cl2 | Sulfuryl chloride | 2.338 | 1 | 4 |
| 2.338 | 1 | 5 | ||
| SF5Cl | sulfur chloropentafluoride | 2.327 | 1 | 2 |