Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM3
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.69 | 1.69 | 1.69 | 1.69 | 1.69 | 1.70 | 1.70 | 1.70 | 1.70 | 1.70 | 1.71 | 1.71 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.697 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgH | magnesium monohydride | 1.688 |
Highest value | MgH- | magnesium monohydride anion | 1.705 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgH- | magnesium monohydride anion | 1.705 | 1 | 2 |
MgH | magnesium monohydride | 1.688 | 1 | 2 |
MgH+ | magnesium monohydride cation | 1.698 | 1 | 2 |