Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/3-21G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.779 | 0.057 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Mg(OH)2 | Magnesium dihydroxide | 1.718 |
Highest value | MgSO4 | Magnesium Sulfate | 1.843 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgO | magnesium oxide | 1.728 | 1 | 2 |
MgOH | magnesium hydroxide | 1.725 | 1 | 2 |
Mg(OH)2 | Magnesium dihydroxide | 1.718 | 1 | 2 |
1.718 | 1 | 3 | ||
MgCO3 | Magnesium Carbonate | 1.827 | 3 | 4 |
1.827 | 3 | 5 | ||
MgSO4 | Magnesium Sulfate | 1.843 | 1 | 3 |
1.843 | 1 | 4 |