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/aug-cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.57 | 2.57 | 2.58 | 2.58 | 2.59 | 2.59 | 2.60 | 2.60 | 2.61 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.587 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2 | Gallium diatomic | 2.572 |
Highest value | Ga2H6 | digallane | 2.601 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ga2 | Gallium diatomic | 2.572 | 1 | 2 |
Ga2H6 | digallane | 2.601 | 1 | 2 |