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/SDD
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | 2.60 | 2.65 | 2.70 | 2.75 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.280 | 0.130 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SFCl | Sulfur chloride fluoride | 2.209 |
Highest value | SCl | sulfur monochloride | 2.694 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.343 | 1 | 2 |
SCl | sulfur monochloride | 2.694 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.213 | 1 | 2 |
2.213 | 1 | 3 | ||
SFCl | Sulfur chloride fluoride | 2.209 | 1 | 3 |
SOCl2 | thionyl chloride | 2.262 | 1 | 3 |
2.262 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.224 | 1 | 3 |
2.224 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.229 | 1 | 4 |
2.229 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.263 | 1 | 2 |