Formaldehyde (CH2O)

Simplest carbonyl; π polarization toward oxygen underpins carbonyl addition mechanisms. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Planar (C center trigonal)
Polarity
Polar
Bond angle
~120°
Hybridisation
sp2 on C
VSEPR
AX3
Bonds
1 C=O σ+π · C–Henvelope
Molecular orbitals
12 valence MOs; π and n/O combinations set HOMO energy trends vs ketones.
SMILES
C=O

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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