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/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.136 | 0.064 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2+ | selenium diatomic cation | 2.064 |
Highest value | Se2- | selenium diatomic anion | 2.220 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2- | selenium diatomic anion | 2.220 | 1 | 2 |
Se2 | Selenium diatomic | 2.125 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.064 | 1 | 2 |