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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 | |
MP4/aug-cc-pCVTZ
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| 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | 1.48 | 1.49 | 1.49 | 1.50 | 1.50 | 1.51 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.475 | 0.018 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SO2 | Sulfur dioxide | 1.462 |
| Highest value | SO | Sulfur monoxide | 1.501 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SO | Sulfur monoxide | 1.501 | 1 | 2 |
| SO2 | Sulfur dioxide | 1.462 | 1 | 2 |
| 1.462 | 1 | 3 |