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/aug-cc-pVQZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | 2.45 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.246 | 0.138 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgCl+ | magnesium monochloride cation | 2.108 |
Highest value | MgCl- | magnesium monochloride anion | 2.384 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgCl- | magnesium monochloride anion | 2.384 | 1 | 2 |
MgCl+ | magnesium monochloride cation | 2.108 | 1 | 2 |