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/cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.56 | 1.58 | 1.60 | 1.62 | 1.64 | 1.66 | 1.68 | 1.70 | 1.72 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.623 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlH2+ | aluminum dihydride cation | 1.564 |
Highest value | AlH2- | aluminum dihydride anion | 1.699 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlH2- | aluminum dihydride anion | 1.699 | 1 | 2 |
1.699 | 1 | 3 | ||
AlH2+ | aluminum dihydride cation | 1.564 | 1 | 2 |
1.564 | 1 | 3 | ||
AlH3- | aluminum trihydride anion | 1.612 | 1 | 2 |
1.612 | 1 | 3 | ||
1.612 | 1 | 4 |