Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/cc-pVQZ
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2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.217 | 0.101 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgCl+ | magnesium monochloride cation | 2.104 |
Highest value | MgCl- | magnesium monochloride anion | 2.349 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgCl- | magnesium monochloride anion | 2.349 | 1 | 2 |
MgCl | magnesium monochloride | 2.198 | 1 | 2 |
MgCl+ | magnesium monochloride cation | 2.104 | 1 | 2 |