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)/aug-cc-pVQZ
5 | ||||||||||
4 | ||||||||||
3 | ||||||||||
2 | ||||||||||
1 | ||||||||||
0 | ||||||||||
1.76 | 1.77 | 1.78 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.768 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Mg(OH)2 | Magnesium dihydroxide | 1.768 |
Highest value | Mg(OH)2 | Magnesium dihydroxide | 1.768 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Mg(OH)2 | Magnesium dihydroxide | 1.768 | 1 | 2 |
1.768 | 1 | 3 |