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• 18:20, 1 March 2023 Dmitri talk contribs created page ORCA (Created page with "= General = ORCA is a flexible, efficient and easy-to-use general-purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- and multireference correlated ab initio methods. It can also treat environmental and relativistic effects. == Licensing == If you wish to use prebuilt ORCA executables: # You ha...")