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 |
MP4=FULL/6-31G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | 1.78 | 1.79 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.737 | 0.023 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | GaF+ | Gallium monofluoride cation | 1.709 |
Highest value | GaF | Gallium monofluoride | 1.780 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
GaF | Gallium monofluoride | 1.780 | 1 | 2 |
GaF+ | Gallium monofluoride cation | 1.709 | 1 | 2 |
GaF3 | Gallium trifluoride | 1.731 | 1 | 2 |
1.731 | 1 | 3 | ||
1.731 | 1 | 4 |