Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-31G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
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2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
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 |