Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/STO-3G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.547 | 0.067 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF | Gallium monofluoride | 1.425 |
Highest value | GaF3 | Gallium trifluoride | 1.595 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.425 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.526 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.595 | 1 | 2 |
1.595 | 1 | 3 | ||
1.595 | 1 | 4 |