Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
HF/Def2TZVPP
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.64 | 1.66 | 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.727 | 0.063 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgH+ | magnesium monohydride cation | 1.647 |
Highest value | MgH- | magnesium monohydride anion | 1.840 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgH- | magnesium monohydride anion | 1.840 | 1 | 2 |
MgH | magnesium monohydride | 1.734 | 1 | 2 |
MgH+ | magnesium monohydride cation | 1.647 | 1 | 2 |
MgH2 | magnesium dihydride | 1.706 | 1 | 2 |
1.706 | 1 | 3 |