Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/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 |
---|---|
1.781 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgO | magnesium oxide | 1.719 |
Highest value | MgSO4 | Magnesium Sulfate | 1.840 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgO- | magnesium oxide anion | 1.757 | 1 | 2 |
MgO | magnesium oxide | 1.719 | 1 | 2 |
MgO+ | magnesium oxide cation | 1.817 | 1 | 2 |
MgOH | magnesium hydroxide | 1.731 | 1 | 2 |
Mg(OH)2 | Magnesium dihydroxide | 1.722 | 1 | 2 |
1.722 | 1 | 3 | ||
MgCO3 | Magnesium Carbonate | 1.831 | 3 | 4 |
1.831 | 3 | 5 | ||
MgSO4 | Magnesium Sulfate | 1.840 | 1 | 3 |
1.840 | 1 | 4 |