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: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for NaCl (Sodium Chloride) 1Σ C*V

1910171554
InChI=1S/ClH.Na/h1H;/q;+1/p-1 INChIKey=FAPWRFPIFSIZLT-UHFFFAOYSA-M

PBE1PBE/6-31G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Na1 0.0000 0.0000 -1.4618
Cl2 0.0000 0.0000 0.9459
Atom - Atom Distances (Å)
  Na1 Cl2
Na1 2.4076
Cl2 2.4076
Maximum atom distance is 2.4076Å between atoms Na1 and Cl2.
picture of Sodium Chloride

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.