Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CID/6-311G*
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.610 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO+ | selenium monoxide cation | 1.568 |
Highest value | SeO- | selenium monoxide anion | 1.735 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.735 | 1 | 2 |
SeO | Selenium monoxide | 1.633 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.568 | 1 | 2 |
SeO2 | Selenium dioxide | 1.586 | 1 | 2 |
1.586 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.574 | 1 | 2 |
1.574 | 1 | 3 | ||
1.574 | 1 | 4 | ||
SeOCl2 | selenium oxychloride | 1.578 | 1 | 2 |
H2SeO4 | Selenic acid | 1.571 | 1 | 2 |
1.571 | 1 | 3 | ||
1.720 | 1 | 4 | ||
1.720 | 1 | 5 |