Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/6-31G
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.711 | 0.062 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeOCl2 | selenium oxychloride | 1.664 |
Highest value | SeO- | selenium monoxide anion | 1.865 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.865 | 1 | 2 |
SeO | Selenium monoxide | 1.706 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.671 | 1 | 2 |
SeO2 | Selenium dioxide | 1.685 | 1 | 2 |
1.685 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.676 | 1 | 2 |
1.676 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.681 | 1 | 2 |
1.681 | 1 | 3 | ||
1.681 | 1 | 4 | ||
SeOCl2 | selenium oxychloride | 1.664 | 1 | 2 |
H2SeO4 | Selenic acid | 1.681 | 1 | 2 |
1.681 | 1 | 3 | ||
1.815 | 1 | 4 | ||
1.815 | 1 | 5 |