Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.68 | 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 |
---|---|
1.749 | 0.056 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgH+ | magnesium monohydride cation | 1.688 |
Highest value | MgH- | magnesium monohydride anion | 1.853 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgH- | magnesium monohydride anion | 1.853 | 1 | 2 |
MgH | magnesium monohydride | 1.755 | 1 | 2 |
MgH+ | magnesium monohydride cation | 1.688 | 1 | 2 |
MgH2 | magnesium dihydride | 1.725 | 1 | 2 |
1.725 | 1 | 3 |