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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 | |
HF/cc-pCVTZ
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| 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.427 | 0.056 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO3 | Sulfur trioxide | 1.385 |
| Highest value | H2SO4 | Sulfuric acid | 1.545 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.444 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.395 | 1 | 2 |
| 1.395 | 1 | 3 | ||
| NSO | sulfinyl amidogen | 1.434 | 1 | 3 |
| ClSO | Sulfur chloride oxide | 1.433 | 2 | 3 |
| SO3 | Sulfur trioxide | 1.385 | 1 | 2 |
| 1.385 | 1 | 3 | ||
| 1.385 | 1 | 4 | ||
| H2SO4 | Sulfuric acid | 1.391 | 1 | 2 |
| 1.391 | 1 | 3 | ||
| 1.545 | 1 | 4 | ||
| 1.545 | 1 | 5 |