Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B1B95/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
2.52 | 2.54 | 2.56 | 2.58 | 2.60 | 2.62 | 2.64 | 2.66 | 2.68 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.592 | 0.063 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2H6 | digallane | 2.529 |
Highest value | Ga2 | Gallium diatomic | 2.655 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ga2 | Gallium diatomic | 2.655 | 1 | 2 |
Ga2H6 | digallane | 2.529 | 1 | 2 |