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 |
TPSSh/cc-pVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.079 | 0.081 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.916 |
Highest value | SSCl2 | Thiothionyl chloride | 2.191 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl | sulfur monochloride | 2.021 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.916 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.062 | 1 | 2 |
2.062 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.125 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.046 | 1 | 3 |
SSCl2 | Thiothionyl chloride | 2.191 | 2 | 3 |
2.191 | 2 | 4 | ||
SF5Cl | sulfur chloropentafluoride | 2.098 | 1 | 2 |