Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/3-21G
5 | ||||||||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | 2.36 | 2.38 | 2.40 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.296 | 0.061 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.178 |
Highest value | SCl- | sulfur monochloride anion | 2.376 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.376 | 1 | 2 |
SCl | sulfur monochloride | 2.239 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.178 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.277 | 1 | 2 |
2.277 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.272 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.280 | 1 | 3 |
SOCl2 | thionyl chloride | 2.373 | 1 | 3 |
2.373 | 1 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 2.314 | 1 | 2 |