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*
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.09 | 2.10 | 2.11 | 2.12 | 2.13 | 2.14 | 2.15 | 2.16 | 2.17 | 2.18 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.131 | 0.032 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2+ | selenium diatomic cation | 2.099 |
Highest value | Se2 | Selenium diatomic | 2.163 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2 | Selenium diatomic | 2.163 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.099 | 1 | 2 |