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 HF (Hydrogen fluoride) 1Σ C*V

1910171554
InChI=1S/FH/h1H INChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-N

B3LYPultrafine/6-31G*


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0934
H2 0.0000 0.0000 -0.8404
Atom - Atom Distances (Å)
  F1 H2
F1 0.9338
H2 0.9338
Maximum atom distance is 0.9338Å between atoms F1 and H2.
picture of Hydrogen fluoride

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