| |
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/daug-cc-pVTZ
| 5 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||
| 4 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||
| 3 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||
| 2 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
||||||||||
| 1 | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|||||||||||
| 0 | |
|
|
|
|
|
|
|
|
|
|
|
|||||||||||||
| 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.472 | 0.083 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO+ | sulfur monoxide cation | 1.419 |
| Highest value | HOSH | hydrogen thioperoxide | 1.669 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO+ | sulfur monoxide cation | 1.419 | 1 | 2 |
| HSO+ | Sulfur Monoxide, S-protonated | 1.443 | 1 | 2 |
| SOH+ | Sulfur Monoxide, protonated | 1.536 | 1 | 2 |
| HOSH | hydrogen thioperoxide | 1.669 | 1 | 2 |
| NSO | sulfinyl amidogen | 1.445 | 1 | 3 |
| SO3 | Sulfur trioxide | 1.422 | 1 | 2 |
| 1.422 | 1 | 3 | ||
| 1.422 | 1 | 4 |