input and
output for the calculation of harmonic vibrational frequencies at the RHF-SCF level
input and
output for the calculation of harmonic vibrational frequencies at the RHF-MP2 level
input and
output for the calculation of harmonic vibrational frequencies at the RHF-CCSD level
input and
output for the calculation of harmonic vibrational frequencies at the RHF-CCSD(T) level
input and
output for the calculation of harmonic vibrational frequencies at the RHF-CCSDT level
input and
output for the calculation of harmonic vibrational frequencies at the RHF-CCSD(T) level using the frozen-core approximation
input and
output for the calculation of harmonic vibrational frequencies at the UHF-SCF level
input and
output for the calculation of harmonic vibrational frequencies at the UHF-MP2 level
input and
output for the calculation of harmonic vibrational frequencies at the UHF-CCSD level
input and
output for the calculation of harmonic vibrational frequencies at the UHF-CCSD(T) level
input and
output for the calculation of harmonic vibrational frequencies at the UHF-CCSD(T) level using the frozen-core approximation
input and
output for the calculation of harmonic vibrational frequencies at the ROHF-SCF level
input and
output for the calculation of harmonic vibrational frequencies at the ROHF-MP2 level
input and
output for the calculation of harmonic vibrational frequencies at the ROHF-CCSD level
input and
output for the calculation of harmonic vibrational frequencies at the ROHF-CCSD(T) level
input and
output for the calculation of harmonic vibrational frequencies at the ROHF-CCSD(T) level using the frozen-core approximation
input and
output for the calculation of harmonic vibrational frequencies at the RHF-CCSD level using just single-point energies
input and
output for the calculation of harmonic vibrational frequencies of
A symmetry at the RHF-CCSD level for H2O2 (C2 symmetry)
CFOUR is partially supported by the U.S. National Science Foundation.