Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
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 |