| |
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 | |
ROMP2/aug-cc-pVDZ
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||||||||||
| 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.531 | 0.028 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | ClSO | Sulfur chloride oxide | 1.485 |
| Highest value | SOH+ | Sulfur Monoxide, protonated | 1.582 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.560 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.582 | 1 | 2 |
| SO2- | Sulfur dioxide anion | 1.573 | 1 | 2 |
| 1.573 | 1 | 3 | ||
| SO2 | Sulfur dioxide | 1.506 | 1 | 2 |
| 1.506 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.516 | 1 | 2 |
| 1.516 | 1 | 3 | ||
| NSO | sulfinyl amidogen | 1.517 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.485 | 2 | 3 |
| SO3- | Sulfur trioxide anion | 1.539 | 1 | 2 |
| 1.539 | 1 | 3 | ||
| 1.539 | 1 | 4 | ||
| SO3+ | Sulfur trioxide cation | 1.513 | 1 | 2 |
| 1.513 | 1 | 3 | ||
| 1.513 | 1 | 4 |