Binary-molecule MO diagrams
Molecular-orbital diagrams from crystod-mol --diagram --pyscf (Hartree–Fock / def2-svp).
Click a molecule to open its interactive diagram.
53 molecules
20 PubChem 3D
33 idealized geometry
10 point groups
Pyramidal AX₃ — C3v (3m) 10
Trigonal planar AX₃ — D3h (-6m2) 4
Tetrahedral AX₄ — Td (-43m) 12
See-saw AX₄ — C2v (mm2) 1
Trigonal bipyramidal AX₅ — D3h (-6m2) 5
Square pyramidal AX₅ — C4v (4mm) 3
Octahedral AX₆ — Oh (m-3m) 6
Square planar AX₄ — D4h (4/mmm) 1
T-shaped AX₃ — C2v (mm2) 2