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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 | |
CBS-Q
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| 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.613 | 0.074 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeO+ | selenium monoxide cation | 1.546 |
| Highest value | SeO- | selenium monoxide anion | 1.807 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeO- | selenium monoxide anion | 1.807 | 1 | 2 |
| SeO | Selenium monoxide | 1.616 | 1 | 2 |
| SeO+ | selenium monoxide cation | 1.546 | 1 | 2 |
| SeO2 | Selenium dioxide | 1.578 | 1 | 2 |
| 1.578 | 1 | 3 | ||
| SeO2+ | Selenium dioxide cation | 1.589 | 1 | 2 |
| 1.589 | 1 | 3 | ||
| SeO3 | selenium trioxide | 1.564 | 1 | 2 |
| 1.564 | 1 | 3 | ||
| 1.564 | 1 | 4 | ||
| H2SeO4 | Selenic acid | 1.579 | 1 | 2 |
| 1.579 | 1 | 3 | ||
| 1.715 | 1 | 4 | ||
| 1.715 | 1 | 5 |