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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 | |
HF/LANL2DZ
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| 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | 3.60 | 3.80 | 4.00 | ||||||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.795 | 0.480 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | PF+ | phosphorus monofluoride cation | 1.609 |
| Highest value | PF6 | Hexafluorophosphate neutral | 3.615 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| PF- | phosphorus monofluoride anion | 1.840 | 1 | 2 |
| PF | phosphorus monofluoride | 1.705 | 1 | 2 |
| PF+ | phosphorus monofluoride cation | 1.609 | 1 | 2 |
| PF2 | Phosphorus difluoride | 1.683 | 1 | 2 |
| 1.683 | 1 | 3 | ||
| PF3 | Phosphorus trifluoride | 1.662 | 1 | 2 |
| 1.662 | 1 | 3 | ||
| 1.662 | 1 | 4 | ||
| F3PO | Phosphoryl fluoride | 1.627 | 1 | 3 |
| 1.627 | 1 | 4 | ||
| 1.627 | 1 | 5 | ||
| PF3CH2 | phosphorane, trifluoromethylene- | 1.669 | 1 | 3 |
| 1.640 | 1 | 4 | ||
| 1.640 | 1 | 5 | ||
| PF5 | Phosphorus pentafluoride | 1.633 | 1 | 2 |
| 1.633 | 1 | 3 | ||
| 1.633 | 1 | 4 | ||
| 1.660 | 1 | 5 | ||
| 1.660 | 1 | 6 | ||
| PF6- | Hexafluorophosphate ion | 1.688 | 1 | 2 |
| 1.688 | 1 | 3 | ||
| 1.688 | 1 | 4 | ||
| 1.688 | 1 | 5 | ||
| 1.688 | 1 | 6 | ||
| 1.688 | 1 | 7 | ||
| PF6 | Hexafluorophosphate neutral | 1.640 | 1 | 2 |
| 1.640 | 1 | 3 | ||
| 1.731 | 1 | 4 | ||
| 1.731 | 1 | 5 | ||
| 3.615 | 1 | 6 | ||
| 3.615 | 1 | 7 |