Carbon Disulfide (CS2)

Linear, nonpolar; analogous to CO₂ but with sulfur. Teaching note: figures illustrate qualitative electronic structure; quantitative benchmarking should use larger bases, dispersion, and experimental structures.

Geometry
Linear
Polarity
Nonpolar
Bond angle
180°
Hybridisation
sp
VSEPR
AX2
Bonds
2 C=S double bonds
Molecular orbitals
16 valence electrons; two C=S double bonds (1σ + 1π each).
SMILES
S=C=S

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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