Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/3-21G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.68 | 1.69 | 1.69 | 1.70 | 1.70 | 1.71 | 1.71 | 1.72 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.702 | 0.008 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF+ | Gallium monofluoride cation | 1.689 |
Highest value | GaF | Gallium monofluoride | 1.715 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.715 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.689 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.703 | 1 | 2 |
1.703 | 1 | 3 | ||
1.703 | 1 | 4 |