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 |
HF/LANL2DZ
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.300 | 0.234 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SFCl | Sulfur chloride fluoride | 2.194 |
Highest value | SCl | sulfur monochloride | 3.067 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.343 | 1 | 2 |
SCl | sulfur monochloride | 3.067 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.203 | 1 | 2 |
2.203 | 1 | 3 | ||
SFCl | Sulfur chloride fluoride | 2.194 | 1 | 3 |
SOCl2 | thionyl chloride | 2.248 | 1 | 3 |
2.248 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.216 | 1 | 3 |
2.216 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.209 | 1 | 4 |
2.209 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.247 | 1 | 2 |