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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 | |
MP2/CEP-31G
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| 1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.749 | 0.049 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PF+ | phosphorus monofluoride cation | 1.685 |
| Highest value | PF- | phosphorus monofluoride anion | 1.890 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PF- | phosphorus monofluoride anion | 1.890 | 1 | 2 |
| PF | phosphorus monofluoride | 1.778 | 1 | 2 |
| PF+ | phosphorus monofluoride cation | 1.685 | 1 | 2 |
| PF2 | Phosphorus difluoride | 1.760 | 1 | 2 |
| 1.760 | 1 | 3 | ||
| PF3 | Phosphorus trifluoride | 1.743 | 1 | 2 |
| 1.743 | 1 | 3 | ||
| 1.743 | 1 | 4 | ||
| F3PO | Phosphoryl fluoride | 1.715 | 1 | 3 |
| 1.715 | 1 | 4 | ||
| 1.715 | 1 | 5 | ||
| PF3CH2 | phosphorane, trifluoromethylene- | 1.774 | 1 | 3 |
| 1.729 | 1 | 4 | ||
| 1.729 | 1 | 5 | ||
| PF5 | Phosphorus pentafluoride | 1.714 | 1 | 2 |
| 1.714 | 1 | 3 | ||
| 1.714 | 1 | 4 | ||
| 1.729 | 1 | 5 | ||
| 1.729 | 1 | 6 | ||
| PF6- | Hexafluorophosphate ion | 1.763 | 1 | 2 |
| 1.763 | 1 | 3 | ||
| 1.763 | 1 | 4 | ||
| 1.763 | 1 | 5 | ||
| 1.763 | 1 | 6 | ||
| 1.763 | 1 | 7 | ||
| PF6 | Hexafluorophosphate neutral | 1.707 | 1 | 2 |
| 1.707 | 1 | 3 | ||
| 1.701 | 1 | 4 | ||
| 1.701 | 1 | 5 | ||
| 1.871 | 1 | 6 | ||
| 1.871 | 1 | 7 |