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 |
mPW1PW91/6-311G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.067 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.897 |
Highest value | SCl- | sulfur monochloride anion | 2.158 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.158 | 1 | 2 |
SCl | sulfur monochloride | 2.008 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.897 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.048 | 1 | 2 |
2.048 | 1 | 3 | ||
ClSO | Sulfur chloride oxide | 2.099 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.030 | 1 | 3 |
SOCl2 | thionyl chloride | 2.126 | 1 | 3 |
2.126 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.100 | 1 | 3 |
2.100 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.057 | 1 | 4 |
2.057 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.082 | 1 | 2 |