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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 | |
B1B95/CEP-31G
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| 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.261 | 0.046 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl | sulfur monochloride | 2.173 |
| Highest value | SOCl2 | thionyl chloride | 2.309 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl | sulfur monochloride | 2.173 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.210 | 1 | 2 |
| 2.210 | 1 | 3 | ||
| ClS2 | Sulfur chloride | 2.289 | 1 | 2 |
| SOCl2 | thionyl chloride | 2.309 | 1 | 3 |
| 2.309 | 1 | 4 | ||
| ClSSCl | Disulfur dichloride | 2.255 | 1 | 3 |
| 2.255 | 2 | 4 | ||
| SO2Cl2 | Sulfuryl chloride | 2.300 | 1 | 4 |
| 2.300 | 1 | 5 |