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 |
HF/SDD
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.666 | 0.107 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ga2H6 | digallane | 1.563 |
Highest value | Ga2H6 | digallane | 1.810 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaH | Gallium monohydride | 1.703 | 1 | 2 |
GaH+ | Gallium monohydride cation | 1.717 | 1 | 2 |
GaH3 | Gallium trihydride | 1.582 | 1 | 2 |
1.582 | 1 | 3 | ||
1.582 | 1 | 4 | ||
Ga2H6 | digallane | 1.810 | 1 | 3 |
1.810 | 1 | 4 | ||
1.563 | 1 | 5 | ||
1.563 | 1 | 6 | ||
1.810 | 2 | 3 | ||
1.810 | 2 | 4 | ||
1.563 | 2 | 7 | ||
1.563 | 2 | 8 |