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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 | |
wB97X-D/aug-cc-pVTZ
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| 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.655 | 0.103 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | SeO+ | selenium monoxide cation | 1.555 |
| Highest value | SeO3 | selenium trioxide | 1.984 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeO- | selenium monoxide anion | 1.705 | 1 | 2 |
| SeO | Selenium monoxide | 1.631 | 1 | 2 |
| SeO+ | selenium monoxide cation | 1.555 | 1 | 2 |
| SeO2 | Selenium dioxide | 1.599 | 1 | 2 |
| 1.599 | 1 | 3 | ||
| SeO2+ | Selenium dioxide cation | 1.590 | 1 | 2 |
| 1.590 | 1 | 3 | ||
| SeO3 | selenium trioxide | 1.984 | 1 | 2 |
| 1.636 | 1 | 3 | ||
| 1.636 | 1 | 4 | ||
| SeOCl2 | selenium oxychloride | 1.668 | 1 | 2 |
| H2SeO4 | Selenic acid | 1.586 | 1 | 2 |
| 1.586 | 1 | 3 | ||
| 1.732 | 1 | 4 | ||
| 1.732 | 1 | 5 |