Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.685 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO+ | selenium monoxide cation | 1.633 |
Highest value | SeO- | selenium monoxide anion | 1.781 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.781 | 1 | 2 |
SeO | Selenium monoxide | 1.706 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.633 | 1 | 2 |
SeO2 | Selenium dioxide | 1.668 | 1 | 2 |
1.668 | 1 | 3 | ||
SeOCl2 | selenium oxychloride | 1.653 | 1 | 2 |