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 LiBr (Lithium Bromide) 1Σ C*V

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

B3LYP/6-31G(2df,p)


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
Li1 0.0000 0.0000 -1.9886
Br2 0.0000 0.0000 0.1704
Atom - Atom Distances (Å)
  Li1 Br2
Li1 2.1590
Br2 2.1590
Maximum atom distance is 2.1590Å between atoms Li1 and Br2.
picture of Lithium Bromide

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