Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULL/6-31+G**
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.72 | 1.73 | 1.74 | 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 |
---|---|
1.753 | 0.030 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF+ | Gallium monofluoride cation | 1.725 |
Highest value | GaF | Gallium monofluoride | 1.812 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.812 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.725 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.743 | 1 | 2 |
1.743 | 1 | 3 | ||
1.743 | 1 | 4 |