Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD(T)/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.18 | 2.19 | 2.19 | 2.20 | 2.20 | 2.21 | 2.21 | 2.22 | 2.22 | 2.23 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.199 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | MgCl2 | Magnesium dichloride | 2.187 |
Highest value | MgCl | magnesium monochloride | 2.223 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
MgCl | magnesium monochloride | 2.223 | 1 | 2 |
MgCl2 | Magnesium dichloride | 2.187 | 1 | 2 |
2.187 | 1 | 3 |