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| Software | Capabilities | Platform | |----------|--------------|----------| | | Electron density, ELF, LOL, bond order, AIM analysis; excellent for post‑processing Gaussian/ORCA outputs. | Windows, Linux, macOS (via Wine) | | Avogadro 2 | Molecular orbital visualization, surfaces, spectra; supports many file formats. | Cross‑platform | | IQmol | MO visualization, NBO reader, electrostatic potentials; built for quantum chemists. | Cross‑platform | | Jmol / JSmol | Web‑based 3D visualization of orbitals and densities; scripting capabilities. | Cross‑platform | | VMD (Visual Molecular Dynamics) | Can plot volumetric data (cube files) from quantum calculations; highly customizable. | Cross‑platform |

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: Plots energy-level diagrams using Hartree-Fock and Kohn-Sham density functional theory (DFT) methods. | Cross‑platform | | Jmol / JSmol |

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