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-Na

17 01 10 14 40

mPW1PW91/6-31G*

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


Values greater than 2.16 are in the 2.16 bin. Values less than 1.92 are in the 1.92 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 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 line line line line line line
histogram chart 3 line line 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 line line line line histogram chart line line line line line line line
histogram chart 2 line line line line line 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 line line line histogram chart line line line line line line line
histogram chart 1 line line line line line 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 line line line histogram chart line line histogram chart line line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line line line line line histogram chart line line histogram chart line line line line
1.92 1.94 1.96 1.98 2.00 2.02 2.04 2.06 2.08 2.10 2.12 2.14 2.16
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.054 0.072

  Species Name Bond Length (Å)
Lowest value NaOCH3 Sodium methoxide 1.931
Highest value Na2CO3 Sodium Carbonate 2.147

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NaO- sodium oxide anion 1.970 1 2
NaO sodium monoxide 2.040 1 2
NaOH sodium hydroxide 1.963 1 2
Na2O disodium monoxide 1.965 1 2
    1.965 1 3
NaO2 Sodium superoxide 2.121 1 2
    2.121 1 3
NaOCH3 Sodium methoxide 1.931 1 2
Na2O2 disodium dioxide 2.060 1 3
    2.060 1 4
    2.060 2 4
    2.060 2 3
Na2CO3 Sodium Carbonate 2.147 2 5
    2.147 2 6
    2.125 3 5
    2.125 4 6