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

mPW1PW91/cc-pVDZ


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
F1 0.0000 0.0000 0.0922
H2 0.0000 0.0000 -0.8299
Atom - Atom Distances (Å)
  F1 H2
F1 0.9222
H2 0.9222
Maximum atom distance is 0.9222Å 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.