Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/6-311G**
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.70 | 1.71 | 1.71 | 1.72 | 1.72 | 1.73 | 1.73 | 1.74 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.715 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgH2 | magnesium dihydride | 1.705 |
Highest value | MgH | magnesium monohydride | 1.734 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgH | magnesium monohydride | 1.734 | 1 | 2 |
MgH2 | magnesium dihydride | 1.705 | 1 | 2 |
1.705 | 1 | 3 |