Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3LYPultrafine/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.59 | 2.60 | 2.61 | 2.62 | 2.63 | 2.64 | 2.65 | 2.66 | 2.67 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.629 | 0.031 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2H6 | digallane | 2.598 |
Highest value | Ga2 | Gallium diatomic | 2.659 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ga2 | Gallium diatomic | 2.659 | 1 | 2 |
Ga2H6 | digallane | 2.598 | 1 | 2 |