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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
MP2/cc-pVDZ
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| 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 |
|---|---|
| 3.787 | 0.647 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | Mg2+ | magnesium diatomic cation | 3.064 |
| Highest value | Mg2 | Magnesium diatomic | 4.634 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| Mg2- | magnesium diatomic anion | 3.662 | 1 | 2 |
| Mg2 | Magnesium diatomic | 4.634 | 1 | 2 |
| Mg2+ | magnesium diatomic cation | 3.064 | 1 | 2 |