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 LiF (lithium fluoride) 1Σ C*V

1910171554
InChI=1S/FH.Li/h1H;/q;+1/p-1 INChIKey=PQXKHYXIUOZZFA-UHFFFAOYSA-M

mPW1PW91/6-311G**


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.3904
Li2 0.0000 0.0000 -1.1712
Atom - Atom Distances (Å)
  F1 Li2
F1 1.5616
Li2 1.5616
Maximum atom distance is 1.5616Å between atoms F1 and Li2.
picture of lithium fluoride

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