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/6-311G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.161 | 0.078 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.949 |
Highest value | ClS2 | Sulfur chloride | 2.245 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.239 | 1 | 2 |
SCl | sulfur monochloride | 2.066 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.949 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.115 | 1 | 2 |
2.115 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.245 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.201 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.098 | 1 | 3 |
SOCl2 | thionyl chloride | 2.228 | 1 | 3 |
2.228 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.215 | 1 | 3 |
2.215 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.163 | 1 | 4 |
2.163 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.174 | 1 | 2 |