Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD/6-311G*
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | 1.62 | 1.63 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.581 | 0.023 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PF5 | Phosphorus pentafluoride | 1.553 |
Highest value | PF | phosphorus monofluoride | 1.617 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PF | phosphorus monofluoride | 1.617 | 1 | 2 |
PF2 | Phosphorus difluoride | 1.601 | 1 | 2 |
1.601 | 1 | 3 | ||
PF5 | Phosphorus pentafluoride | 1.553 | 1 | 2 |
1.553 | 1 | 3 | ||
1.553 | 1 | 4 | ||
1.584 | 1 | 5 | ||
1.584 | 1 | 6 |