Chloromethane (CH3Cl)

Polar substituted methane; inductive σ-withdrawal shifts C–H polarity patterns. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Tetrahedral
Polarity
Polar
Bond angle
109.5°
Hybridisation
sp3
VSEPR
AX4
Bonds
3 C–H σ + C–Cl σ
Molecular orbitals
14 valence MOs; σ(C–Cl) is polarized toward Cl electronegativity.
SMILES
CCl

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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