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Compare Calculated Bonds for Na-O

17 01 10 14 40

B3LYPultrafine/cc-pVTZ

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


Values greater than 2.18 are in the 2.18 bin. Values less than 1.94 are in the 1.94 bin.

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1.94 1.96 1.98 2.00 2.02 2.04 2.06 2.08 2.10 2.12 2.14 2.16 2.18
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.094 0.078

  Species Name Bond Length (Å)
Lowest value NaOCH3 Sodium methoxide 1.959
Highest value Na2CO3 Sodium Carbonate 2.173

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NaO sodium monoxide 2.063 1 2
Na2O disodium monoxide 1.996 1 2
    1.996 1 3
NaO2 Sodium superoxide 2.142 1 2
    2.142 1 3
NaOCH3 Sodium methoxide 1.959 1 2
Na2CO3 Sodium Carbonate 2.173 2 5
    2.145 3 5
    2.173 2 6
    2.145 4 6