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Calculate the contributions of atomic orbitals to molecular orbitals (Mulliken population analysis and modifiers).

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If your primary need is analyzing the results of TD-DFT calculations, is a free, Python-based application that specifically analyzes output from Gaussian, ADF, and ORCA calculations, offering features like fragment analysis and Mulliken population analysis. Moving Forward with Your Research

: Features tools to calculate bond orders (Wiberg, Mayer, etc.) and analyze interatomic distances and overlap populations to understand chemical bonding.