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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 | |
M06-2X/6-31G
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| 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.181 | 0.055 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl+ | sulfur monochloride cation | 2.063 |
| Highest value | ClSO | Sulfur chloride oxide | 2.240 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl | sulfur monochloride | 2.162 | 1 | 2 |
| SCl+ | sulfur monochloride cation | 2.063 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.192 | 1 | 2 |
| 2.192 | 1 | 3 | ||
| ClSO | Sulfur chloride oxide | 2.240 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.183 | 1 | 3 |
| SF5Cl | sulfur chloropentafluoride | 2.236 | 1 | 2 |