Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-311G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.75 | 1.76 | 1.77 | 1.78 | 1.79 | 1.80 | 1.81 | 1.82 | 1.83 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.767 | 0.027 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF3 | Gallium trifluoride | 1.751 |
Highest value | GaF | Gallium monofluoride | 1.813 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.813 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.751 | 1 | 2 |
1.751 | 1 | 3 | ||
1.751 | 1 | 4 |