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/LANL2DZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.328 | 0.116 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2+ | selenium diatomic cation | 2.171 |
Highest value | H2Se2 | hydrogen diselenide | 2.466 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2- | selenium diatomic anion | 2.407 | 1 | 2 |
Se2 | Selenium diatomic | 2.268 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.171 | 1 | 2 |
H2Se2 | hydrogen diselenide | 2.466 | 1 | 2 |