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Gaussian Input File and Keywords Guide by will is a document available to read on EtoBox.
What is Gaussian Input File and Keywords Guide about?
Gaussian is a computational chemistry program capable of predicting molecular properties through quantum mechanical calculations. It can perform single point energy calculations, geometry optimizations, frequency analyses, and more using methods like Hartree-Fock and DFT with various basis sets. The Gaussian input file specifies the route section with the job type, method, basis set and other options to define the desired calculation.
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- will
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- EN