| |
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 | |
MP3=FULL/cc-pVTZ
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 1.99 | 2.00 | 2.01 | 2.02 | 2.03 | 2.04 | 2.05 | 2.06 | 2.07 | 2.08 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.031 | 0.024 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SCl | sulfur monochloride | 1.994 |
| Highest value | ClSO | Sulfur chloride oxide | 2.063 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SCl | sulfur monochloride | 1.994 | 1 | 2 |
| SCl2 | Sulfur dichloride | 2.029 | 1 | 2 |
| 2.029 | 1 | 3 | ||
| ClSO | Sulfur chloride oxide | 2.063 | 1 | 2 |
| SFCl | Sulfur chloride fluoride | 2.012 | 1 | 3 |
| SF5Cl | sulfur chloropentafluoride | 2.057 | 1 | 2 |