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Analytic Calculation Of Harmonic Vibrational Frequencies

input and output for the calculation of harmonic vibrational frequencies at RHF-SCF level
input and output for the calculation of harmonic vibrational frequencies at RHF-MP2level
input and output for the calculation of harmonic vibrational frequencies at RHF-CCSD level
input and output for the calculation of harmonic vibrational frequencies at RHF-CCSD(T) level
input and output for the calculation of harmonic vibrational frequencies at RHF-CCSDT level
input and output for the calculation of harmonic vibrational frequencies at RHF-CCSD(T) level using the frozen-core approximation
input and output for the calculation of harmonic vibrational frequencies at UHF-SCF level
input and output for the calculation of harmonic vibrational frequencies at UHF-MP2 level
input and output for the calculation of harmonic vibrational frequencies at UHF-CCSD level
input and output for the calculation of harmonic vibrational frequencies at UHF-CCSD(T) level
input and output for the calculation of harmonic vibrational frequencies UHF-CCSD(T) level using the frozen-core approximation
input and output for the calculation of harmonic vibrational frequencies at ROHF-SCF level

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Page last modified on February 19, 2011, at 03:59 PM
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CFOUR is partially supported by the U.S. National Science Foundation.