Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/TZVP
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.02 | 2.03 | 2.04 | 2.05 | 2.06 | 2.07 | 2.08 | 2.09 | 2.10 | 2.11 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.058 | 0.024 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl | sulfur monochloride | 2.025 |
Highest value | ClSO | Sulfur chloride oxide | 2.094 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 2.025 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.056 | 1 | 2 |
2.056 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.094 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.037 | 1 | 3 |
SF5Cl | sulfur chloropentafluoride | 2.081 | 1 | 2 |