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
CFOUR is partially supported by the U.S. National Science Foundation.