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 |
wB97X-D/cc-pVDZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.90 | 1.92 | 1.94 | 1.96 | 1.98 | 2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.046 | 0.045 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCl+ | sulfur monochloride cation | 1.905 |
Highest value | ClSO | Sulfur chloride oxide | 2.095 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SCl- | sulfur monochloride anion | 2.070 | 1 | 2 |
SCl | sulfur monochloride | 2.000 | 1 | 2 |
SCl+ | sulfur monochloride cation | 1.905 | 1 | 2 |
SCl2 | Sulfur dichloride | 2.032 | 1 | 2 |
2.032 | 1 | 3 | ||
ClS2 | Sulfur chloride | 2.067 | 1 | 2 |
ClSO | Sulfur chloride oxide | 2.095 | 1 | 2 |
SFCl | Sulfur chloride fluoride | 2.033 | 1 | 3 |
SOCl2 | thionyl chloride | 2.082 | 1 | 3 |
2.082 | 1 | 4 | ||
ClSSCl | Disulfur dichloride | 2.072 | 1 | 3 |
2.072 | 2 | 4 | ||
SO2Cl2 | Sulfuryl chloride | 2.045 | 1 | 4 |
2.045 | 1 | 5 | ||
SF5Cl | sulfur chloropentafluoride | 2.063 | 1 | 2 |