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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 | |
LSDA/aug-cc-pVQZ
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| 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | ||||||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.462 | 0.033 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO+ | sulfur monoxide cation | 1.429 |
| Highest value | SO2- | Sulfur dioxide anion | 1.514 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO+ | sulfur monoxide cation | 1.429 | 1 | 2 |
| SO2- | Sulfur dioxide anion | 1.514 | 1 | 2 |
| 1.514 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.433 | 1 | 2 |
| 1.433 | 1 | 3 | ||
| SO3- | Sulfur trioxide anion | 1.485 | 1 | 2 |
| 1.485 | 1 | 3 | ||
| 1.485 | 1 | 4 | ||
| SO3+ | Sulfur trioxide cation | 1.434 | 1 | 2 |
| 1.434 | 1 | 3 | ||
| 1.434 | 1 | 4 |