Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/3-21G*
5 | |||||||||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||||||||
2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | 4.00 | 4.20 | 4.40 | 4.60 | 4.80 | 5.00 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
3.714 | 0.703 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Mg2+ | magnesium diatomic cation | 2.994 |
Highest value | Mg2 | Magnesium diatomic | 4.667 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Mg2- | magnesium diatomic anion | 3.480 | 1 | 2 |
Mg2 | Magnesium diatomic | 4.667 | 1 | 2 |
Mg2+ | magnesium diatomic cation | 2.994 | 1 | 2 |