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1. Thermodynamic properties (e.g., energies, entropies, and free energies)
2. Spectroscopic properties (e.g., NMR, IR, and UV-Vis spectra)
3. Reactivity and kinetics (e.g., transition states, reaction rates, and mechanisms)

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1. Free trial – Check the official Wavefunction website for demo versions.
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3. Reduced-price options – Educational discounts may be available.
4. Free/open-source alternatives – Consider Avogadro (molecular editor/builder), ORCA (quantum chemistry), GAMESS, or WebMO (web-based interface to various computational engines).