Hydrogen fluoride (HF)

Polar diatomic acid precursor; large Δχ drives bond polarity useful for discussing dipole moments and core/valence separation. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Linear
Polarity
Polar
Bond angle
—
Hybridisation
Mostly p on F, s on H (no strict hybrid needed for qualitative MO diagrams)
VSEPR
AX2
Bonds
1 σ bond · lone pairs on F
Molecular orbitals
8 valence MOs; HOMO often described as largely F lone-pair character with H s admixture.
SMILES
[H]F

Electron density: spin-paired GPAW (PBE) on an isolated gas-phase geometry; molecular orbitals: restricted mean-field RHF with sto-3g in PySCF unless noted.

Open the interactive 3D viewer · Edit in the Molecule Builder · Plans

More molecules