Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.88 | 1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.993 | 0.053 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.883 |
Highest value | ClSO | Sulfur chloride oxide | 2.049 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 1.985 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.883 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.019 | 1 | 2 |
2.019 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.049 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.003 | 1 | 3 |