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 |
B97D3/3-21G*
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.57 | 1.58 | 1.58 | 1.59 | 1.59 | 1.60 | 1.60 | 1.61 | 1.61 | 1.62 | 1.62 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.595 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PF5 | Phosphorus pentafluoride | 1.577 |
Highest value | PF2 | Phosphorus difluoride | 1.618 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PF2 | Phosphorus difluoride | 1.618 | 1 | 2 |
1.618 | 1 | 3 | ||
PF5 | Phosphorus pentafluoride | 1.577 | 1 | 2 |
1.577 | 1 | 3 | ||
1.577 | 1 | 4 | ||
1.599 | 1 | 5 | ||
1.599 | 1 | 6 |