Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/3-21G*
5 | |||||||||||||||||||||||||
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3 | |||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||
2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | 2.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.251 | 0.097 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgCl+ | magnesium monochloride cation | 2.158 |
Highest value | MgCl- | magnesium monochloride anion | 2.437 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgCl- | magnesium monochloride anion | 2.437 | 1 | 2 |
MgCl | magnesium monochloride | 2.251 | 1 | 2 |
MgCl+ | magnesium monochloride cation | 2.158 | 1 | 2 |
MgCl2 | Magnesium dichloride | 2.205 | 1 | 2 |
2.205 | 1 | 3 |