Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/6-31G(2df,p)
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | 1.62 | 1.63 | 1.63 | 1.64 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.613 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlO+ | aluminum monoxide cation | 1.592 |
Highest value | AlO- | Aluminum monoxide anion | 1.634 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlO- | Aluminum monoxide anion | 1.634 | 1 | 2 |
AlO | Aluminum monoxide | 1.614 | 1 | 2 |
AlO+ | aluminum monoxide cation | 1.592 | 1 | 2 |