Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B3PW91/3-21G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.72 | 1.73 | 1.73 | 1.74 | 1.74 | 1.75 | 1.75 | 1.76 | 1.76 | 1.77 | 1.77 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.735 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF3 | Gallium trifluoride | 1.727 |
Highest value | GaF | Gallium monofluoride | 1.767 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.767 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.728 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.727 | 1 | 2 |
1.727 | 1 | 3 | ||
1.727 | 1 | 4 |