Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.167 | 0.099 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.022 |
Highest value | SOCl2 | thionyl chloride | 2.319 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.194 | 1 | 2 |
SCl | sulfur monochloride | 2.081 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.022 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.107 | 1 | 2 |
2.107 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.137 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.115 | 1 | 3 |
SOCl2 | thionyl chloride | 2.319 | 1 | 3 |
2.319 | 1 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 2.274 | 1 | 2 |