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/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
3.00 | 3.50 | 4.00 | 4.50 | 5.00 | 5.50 | 6.00 | 6.50 | 7.00 | 7.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
4.668 | 1.649 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Mg2+ | magnesium diatomic cation | 3.148 |
Highest value | Mg2 | Magnesium diatomic | 6.960 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Mg2- | magnesium diatomic anion | 3.898 | 1 | 2 |
Mg2 | Magnesium diatomic | 6.960 | 1 | 2 |
Mg2+ | magnesium diatomic cation | 3.148 | 1 | 2 |