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 H-Na

17 01 10 14 40

QCISD(T)/aug-cc-pVTZ

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


Values greater than 2.80 are in the 2.80 bin. Values less than 1.90 are in the 1.90 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
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
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 line line line line line line line line
histogram chart 2 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 1 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 0 line histogram chart 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
1.90 2.00 2.10 2.20 2.30 2.40 2.50 2.60 2.70 2.80
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.214 0.326

  Species Name Bond Length (Å)
Lowest value NaH sodium hydride 1.927
Highest value NaH+ sodium hydride cation 2.670

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NaH- sodium hydride anion 2.043 1 2
NaH sodium hydride 1.927 1 2
NaH+ sodium hydride cation 2.670 1 2