Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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mPW1PW91/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.67 | 1.67 | 1.68 | 1.68 | 1.69 | 1.69 | 1.70 | 1.70 | 1.71 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.689 | 0.009 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF+ | Gallium monofluoride cation | 1.674 |
Highest value | GaF | Gallium monofluoride | 1.704 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.704 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.674 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.688 | 1 | 2 |
1.688 | 1 | 3 | ||
1.688 | 1 | 4 |