Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/3-21G
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0 | ||||||||||||||||||||||||||||||||||
2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | 3.30 | 3.40 | 3.50 | 3.60 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.949 | 0.376 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Mg2 | Magnesium diatomic | 2.683 |
Highest value | Mg2- | magnesium diatomic anion | 3.480 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Mg2- | magnesium diatomic anion | 3.480 | 1 | 2 |
Mg2 | Magnesium diatomic | 2.683 | 1 | 2 |
Mg2+ | magnesium diatomic cation | 2.683 | 1 | 2 |