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 |
wB97X-D/6-31G*
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
2.10 | 2.20 | 2.30 | 2.40 | 2.50 | 2.60 | 2.70 | 2.80 | 2.90 | 3.00 | 3.10 | 3.20 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.369 | 0.355 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgCl+ | magnesium monochloride cation | 2.156 |
Highest value | MgCl- | magnesium monochloride anion | 3.076 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgCl- | magnesium monochloride anion | 3.076 | 1 | 2 |
MgCl | magnesium monochloride | 2.235 | 1 | 2 |
MgCl+ | magnesium monochloride cation | 2.156 | 1 | 2 |
MgCl2 | Magnesium dichloride | 2.188 | 1 | 2 |
2.188 | 1 | 3 |