ORCA BASIS SET ERRORS

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>> DOWNLOAD LINK 🎞️ #2 <<

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PART 1: BSSE = Basis set superposition error • Check out 8.1.6 Counterpoise Correction in ORCA manual and • http://simplecompchem.blogspot.ca/ • http://qcl.theochem.tu-muenchen.de/qc... • • PART 2: ENERGY CORRECTION with DIFFERENT BASIS SETS • 1) OPT FQ with def2-SVP • 2) SP with def2-TZVP • 3) CORRECT ENERGY FROM TZVP with THERMO VALUES FROM SVP

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