Benzene (C6H6)

Aromatic six-membered ring; delocalized π system and Hückel / D6h MO splittings. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Planar
Polarity
Nonpolar
Bond angle
120°
Hybridisation
sp2
VSEPR
AX3
Bonds
Conjugated σ framework + π system
Molecular orbitals
30 valence MOs in minimal basis; degenerate HOMO pairs are iconic in photophysics discussions.
SMILES
c1ccccc1

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.

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