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**
5 | |||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||
2.57 | 2.57 | 2.58 | 2.58 | 2.59 | 2.59 | 2.60 | 2.60 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.587 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2 | Gallium diatomic | 2.573 |
Highest value | Ga2H6 | digallane | 2.600 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ga2 | Gallium diatomic | 2.573 | 1 | 2 |
Ga2H6 | digallane | 2.600 | 1 | 2 |