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-Cl

17 01 10 14 40

HF/LANL2DZ

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


Values greater than 18.00 are in the 18.00 bin. Values less than 0.00 are in the 0.00 bin.

histogram chart 14 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 12 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 10 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 8 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 6 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 4 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 2 line line line line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 0 line line 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 line line line
0.0 2.0 4.0 6.0 8.0 10.0 12.0 14.0 16.0 18.0
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.810 3.511

  Species Name Bond Length (Å)
Lowest value FClH+ Chlorine fluoride, Cl-protonated 1.704
Highest value ClF+ clorine monofluoride cation 15.447

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
ClF- clorine monofluoride anion 2.538 1 2
ClF+ clorine monofluoride cation 15.447 1 2
ClFH+ Chlorine fluoride, F-protonated 1.873 1 2
FClH+ Chlorine fluoride, Cl-protonated 1.704 1 2
FClO chlorosyl fluoride 1.708 1 2
ClF3 Chlorine trifluoride 1.708 1 2
    1.829 1 3
    1.829 1 4
ClFO3 Perchloryl fluoride 1.705 1 2
ClF5 chlorinepentafluoride 1.811 1 2
    1.798 1 3
    1.798 1 4
    1.798 1 5
    1.798 1 6