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 O-K

17 01 10 14 40

mPW1PW91/6-31G*

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


Values greater than 3.10 are in the 3.10 bin. Values less than 2.10 are in the 2.10 bin.

histogram chart 5 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 line line line
histogram chart 4 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 line line line
histogram chart 3 line line line line line line 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
histogram chart 2 line line line line line line 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
histogram chart 1 line line line line histogram chart line 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
histogram chart 0 line line line line histogram chart line line line line line histogram chart line line line line line line line line line line line line line line line line line histogram chart line line line line
2.10 2.20 2.30 2.40 2.50 2.60 2.70 2.80 2.90 3.00 3.10
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.401 0.250

  Species Name Bond Length (Å)
Lowest value KO Potassium monoxide 2.191
Highest value KO+ Potassium monoxide cation 2.990

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
KO Potassium monoxide 2.191 1 2
KO+ Potassium monoxide cation 2.990 1 2
KOH Potassium hydroxide 2.214 1 2
K2O2 dipotassium dioxide 2.352 1 3
    2.352 2 3
    2.352 2 4
    2.352 1 4