Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/3-21G
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2.34 | 2.36 | 2.38 | 2.40 | 2.42 | 2.44 | 2.46 | 2.48 | 2.50 | 2.52 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.397 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2+ | selenium diatomic cation | 2.347 |
Highest value | Se2- | selenium diatomic anion | 2.480 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2- | selenium diatomic anion | 2.480 | 1 | 2 |
Se2 | Selenium diatomic | 2.364 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.347 | 1 | 2 |