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Compare Calculated Bonds for P-F

17 01 10 14 40

MP2=FULL/6-31+G**

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.78 are in the 1.78 bin. Values less than 1.54 are in the 1.54 bin.

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histogram chart 1 line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line line line line line line line line histogram chart line
histogram chart 0 line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line line line line line line line line line line histogram chart line line line line line histogram chart line
1.54 1.56 1.58 1.60 1.62 1.64 1.66 1.68 1.70 1.72 1.74 1.76 1.78
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.616 0.057

  Species Name Bond Length (Å)
Lowest value PF+ phosphorus monofluoride cation 1.545
Highest value PF6 Hexafluorophosphate neutral 1.776

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
PF- phosphorus monofluoride anion 1.742 1 2
PF phosphorus monofluoride 1.640 1 2
PF+ phosphorus monofluoride cation 1.545 1 2
PF2 Phosphorus difluoride 1.624 1 2
    1.624 1 3
PF3 Phosphorus trifluoride 1.606 1 2
    1.606 1 3
    1.606 1 4
F3PO Phosphoryl fluoride 1.564 1 3
    1.564 1 4
    1.564 1 5
PF3CH2 phosphorane, trifluoromethylene- 1.596 1 3
    1.574 1 4
    1.574 1 5
PF5 Phosphorus pentafluoride 1.570 1 2
    1.570 1 3
    1.570 1 4
    1.604 1 5
    1.604 1 6
PF6- Hexafluorophosphate ion 1.645 1 2
    1.645 1 3
    1.645 1 4
    1.645 1 5
    1.645 1 6
    1.645 1 7
PF6 Hexafluorophosphate neutral 1.576 1 2
    1.576 1 3
    1.595 1 4
    1.595 1 5
    1.776 1 6
    1.776 1 7