| |
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 | |
MP2=FULL/3-21G
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||
| 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.301 | 0.112 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl+ | sulfur monochloride cation | 2.068 |
| Highest value | SOCl2 | thionyl chloride | 2.494 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl- | sulfur monochloride anion | 2.365 | 1 | 2 |
| SCl | sulfur monochloride | 2.183 | 1 | 2 |
| SCl+ | sulfur monochloride cation | 2.068 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.283 | 1 | 2 |
| 2.283 | 1 | 3 | ||
| ClS2 | Sulfur chloride | 2.237 | 1 | 2 |
| ClSO | Sulfur chloride oxide | 2.230 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.292 | 1 | 3 |
| SOCl2 | thionyl chloride | 2.494 | 1 | 3 |
| 2.494 | 1 | 4 | ||
| ClSSCl | Disulfur dichloride | 2.306 | 1 | 3 |
| 2.306 | 2 | 4 | ||
| SF5Cl | sulfur chloropentafluoride | 2.374 | 1 | 2 |