Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/6-31G*
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0 | ||||||||||||||||||||||||||||||||||
1.79 | 1.80 | 1.81 | 1.82 | 1.83 | 1.84 | 1.85 | 1.86 | 1.87 | 1.88 | 1.89 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.836 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgO | magnesium oxide | 1.795 |
Highest value | MgSO4 | Magnesium Sulfate | 1.874 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgO | magnesium oxide | 1.795 | 1 | 2 |
MgOH | magnesium hydroxide | 1.806 | 1 | 2 |
Mg(OH)2 | Magnesium dihydroxide | 1.804 | 1 | 2 |
1.804 | 1 | 3 | ||
MgCO3 | Magnesium Carbonate | 1.866 | 3 | 4 |
1.866 | 3 | 5 | ||
MgSO4 | Magnesium Sulfate | 1.874 | 1 | 3 |
1.874 | 1 | 4 |