Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-31G*
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1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.604 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO+ | selenium monoxide cation | 1.542 |
Highest value | SeO- | selenium monoxide anion | 1.786 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.786 | 1 | 2 |
SeO | Selenium monoxide | 1.608 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.542 | 1 | 2 |
SeO2 | Selenium dioxide | 1.572 | 1 | 2 |
1.572 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.583 | 1 | 2 |
1.583 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.564 | 1 | 2 |
1.564 | 1 | 3 | ||
1.564 | 1 | 4 | ||
SeOCl2 | selenium oxychloride | 1.579 | 1 | 2 |
H2SeO4 | Selenic acid | 1.573 | 1 | 2 |
1.573 | 1 | 3 | ||
1.700 | 1 | 4 | ||
1.700 | 1 | 5 |