Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.383 | 0.254 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl2 | Sulfur dichloride | 2.222 |
Highest value | SCl+ | sulfur monochloride cation | 3.070 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.357 | 1 | 2 |
SCl | sulfur monochloride | 2.653 | 1 | 2 |
SCl+ | sulfur monochloride cation | 3.070 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.222 | 1 | 2 |
2.222 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.798 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.227 | 1 | 3 |
SOCl2 | thionyl chloride | 2.289 | 1 | 3 |
2.289 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.232 | 1 | 3 |
2.232 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.253 | 1 | 4 |
2.253 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.274 | 1 | 2 |