return to home page 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

Compare Calculated Bonds for F-P

17 01 10 14 40

mPW1PW91/aug-cc-pV(T+d)Z

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


Values greater than 1.63 are in the 1.63 bin. Values less than 1.61 are in the 1.61 bin.

histogram chart 6 line line line line line line line line line
histogram chart 5 line line line line histogram chart line line line line
histogram chart 4 line line line line histogram chart line line line line
histogram chart 3 line line line line histogram chart line line line line
histogram chart 2 line line line line histogram chart line line line line
histogram chart 1 line line line line histogram chart line line line line
histogram chart 0 line line line line histogram chart line line line line
1.61 1.62 1.63
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.618 0.000

  Species Name Bond Length (Å)
Lowest value PF6- Hexafluorophosphate ion 1.618
Highest value PF6- Hexafluorophosphate ion 1.618

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
PF6- Hexafluorophosphate ion 1.618 1 2
    1.618 1 3
    1.618 1 4
    1.618 1 5
    1.618 1 6
    1.618 1 7