Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B3LYP/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.198 | 0.084 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.042 |
Highest value | SF5Cl | sulfur chloropentafluoride | 2.316 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.215 | 1 | 2 |
SCl | sulfur monochloride | 2.097 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.042 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.126 | 1 | 2 |
2.126 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.211 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.152 | 1 | 3 |
SOCl2 | thionyl chloride | 2.267 | 1 | 3 |
2.267 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.166 | 1 | 3 |
2.166 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.311 | 1 | 4 |
2.311 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.316 | 1 | 2 |