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/3-21G
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0 | ||||||||||||||||||||||||||||||||||
2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.301 | 0.112 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.068 |
Highest value | SOCl2 | thionyl chloride | 2.494 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.365 | 1 | 2 |
SCl | sulfur monochloride | 2.183 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.068 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.283 | 1 | 2 |
2.283 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.237 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.230 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.292 | 1 | 3 |
SOCl2 | thionyl chloride | 2.494 | 1 | 3 |
2.494 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.306 | 1 | 3 |
2.306 | 2 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 2.374 | 1 | 2 |