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Several software packages are available for wavefunction calculations, including Spartan, Gaussian, and Molpro. These packages provide a range of tools and methods for calculating wavefunctions, including Hartree-Fock, density functional theory (DFT), and post-Hartree-Fock methods.

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If you need molecular modeling tools but cannot afford a full retail license for Wavefunction Spartan, several highly capable, open-source, and free alternatives exist within the scientific community. Open-Source Molecular Modeling Software

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An advanced molecular editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, and materials science. It is completely free and open-source.

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An advanced open-source molecular editor and visualizer designed for cross-platform use in computational chemistry and molecular modeling.