Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/3-21G
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2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | 2.60 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.381 | 0.102 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2+ | selenium diatomic cation | 2.275 |
Highest value | H2Se2 | hydrogen diselenide | 2.519 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2 | Selenium diatomic | 2.348 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.275 | 1 | 2 |
H2Se2 | hydrogen diselenide | 2.519 | 1 | 2 |