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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 | |
CID/cc-pVTZ
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| 1.57 | 1.57 | 1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.586 | 0.019 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeO2 | Selenium dioxide | 1.573 |
| Highest value | SeO | Selenium monoxide | 1.613 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeO | Selenium monoxide | 1.613 | 1 | 2 |
| SeO2 | Selenium dioxide | 1.573 | 1 | 2 |
| 1.573 | 1 | 3 |