Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.62 | 1.63 | 1.63 | 1.64 | 1.64 | 1.65 | 1.65 | 1.66 | 1.66 | 1.67 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.637 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO2+ | Selenium dioxide cation | 1.625 |
Highest value | SeO | Selenium monoxide | 1.661 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.661 | 1 | 2 |
SeO2+ | Selenium dioxide cation | 1.625 | 1 | 2 |
1.625 | 1 | 3 |