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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 | |
BLYP/3-21G
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| 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | 2.55 | ||||||||||||||||||
| bond lengths (Å) | |||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 2.307 | 0.094 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | MgCl+ | magnesium monochloride cation | 2.230 |
| Highest value | MgCl- | magnesium monochloride anion | 2.487 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| MgCl- | magnesium monochloride anion | 2.487 | 1 | 2 |
| MgCl | magnesium monochloride | 2.312 | 1 | 2 |
| MgCl+ | magnesium monochloride cation | 2.230 | 1 | 2 |
| MgCl2 | Magnesium dichloride | 2.254 | 1 | 2 |
| 2.254 | 1 | 3 |