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 |
BLYP/3-21G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.357 | 0.082 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.156 |
Highest value | SO2Cl2 | Sulfuryl chloride | 2.446 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.382 | 1 | 2 |
SCl | sulfur monochloride | 2.243 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.156 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.285 | 1 | 2 |
2.285 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.395 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.402 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.311 | 1 | 3 |
SOCl2 | thionyl chloride | 2.429 | 1 | 3 |
2.429 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.358 | 1 | 3 |
2.358 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.446 | 1 | 4 |
2.446 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.430 | 1 | 2 |