Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.302 | 0.089 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.100 |
Highest value | SOCl2 | thionyl chloride | 2.421 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.371 | 1 | 2 |
SCl | sulfur monochloride | 2.196 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.100 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.296 | 1 | 2 |
2.296 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.236 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.301 | 1 | 3 |
SOCl2 | thionyl chloride | 2.421 | 1 | 3 |
2.421 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.311 | 1 | 3 |
2.311 | 2 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 2.368 | 1 | 2 |