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 |
M06-2X/3-21G
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.222 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 2.102 |
Highest value | ClSO | Sulfur chloride oxide | 2.297 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 2.197 | 1 | 2 |
SCl+ | sulfur monochloride cation | 2.102 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.221 | 1 | 2 |
2.221 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.297 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.230 | 1 | 3 |
SF5Cl | sulfur chloropentafluoride | 2.287 | 1 | 2 |