Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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wB97X-D/6-311G**
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0 | |||||||||||||||||||||||||
2.50 | 2.55 | 2.60 | 2.65 | 2.70 | 2.75 | 2.80 | 2.85 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.614 | 0.101 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Al2 | Aluminum diatomic | 2.514 |
Highest value | Al2+ | aluminum diatomic cation | 2.778 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Al2- | aluminum diatomic anion | 2.551 | 1 | 2 |
Al2 | Aluminum diatomic | 2.514 | 1 | 2 |
Al2+ | aluminum diatomic cation | 2.778 | 1 | 2 |
Al2H6 | dialane | 2.615 | 1 | 2 |