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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/cc-pVQZ
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| 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.472 | 0.046 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO+ | sulfur monoxide cation | 1.429 |
| Highest value | SO- | sulfur monoxide anion | 1.578 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO- | sulfur monoxide anion | 1.578 | 1 | 2 |
| SO+ | sulfur monoxide cation | 1.429 | 1 | 2 |
| SO2- | Sulfur dioxide anion | 1.516 | 1 | 2 |
| 1.516 | 1 | 3 | ||
| SO2+ | Sulfur dioxide cation | 1.433 | 1 | 2 |
| 1.433 | 1 | 3 | ||
| SO3- | Sulfur trioxide anion | 1.486 | 1 | 2 |
| 1.486 | 1 | 3 | ||
| 1.486 | 1 | 4 | ||
| SO3+ | Sulfur trioxide cation | 1.435 | 1 | 2 |
| 1.435 | 1 | 3 | ||
| 1.435 | 1 | 4 |