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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 | |
MP2=FULL/6-31G(2df,p)
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| 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | ||||||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.613 | 0.045 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | H2SeO4 | Selenic acid | 1.576 |
| Highest value | H2SeO4 | Selenic acid | 1.715 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| SeO- | selenium monoxide anion | 1.646 | 1 | 2 |
| SeO | Selenium monoxide | 1.633 | 1 | 2 |
| SeO+ | selenium monoxide cation | 1.601 | 1 | 2 |
| SeO2 | Selenium dioxide | 1.613 | 1 | 2 |
| 1.613 | 1 | 3 | ||
| SeO2+ | Selenium dioxide cation | 1.582 | 1 | 2 |
| 1.582 | 1 | 3 | ||
| SeO3 | selenium trioxide | 1.586 | 1 | 2 |
| 1.586 | 1 | 3 | ||
| 1.586 | 1 | 4 | ||
| SeOCl2 | selenium oxychloride | 1.583 | 1 | 2 |
| H2SeO4 | Selenic acid | 1.576 | 1 | 2 |
| 1.576 | 1 | 3 | ||
| 1.715 | 1 | 4 | ||
| 1.715 | 1 | 5 |