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Compare Calculated Bonds for Na-Cl

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LSDA/aug-cc-pVQZ

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


Values greater than 2.68 are in the 2.68 bin. Values less than 2.44 are in the 2.44 bin.

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2.44 2.46 2.48 2.50 2.52 2.54 2.56 2.58 2.60 2.62 2.64 2.66 2.68
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
2.576 0.119

  Species Name Bond Length (Å)
Lowest value NaCl- sodium chloride anion 2.457
Highest value NaCl+ sodium chloride cation 2.695

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NaCl- sodium chloride anion 2.457 1 2
NaCl+ sodium chloride cation 2.695 1 2