A systematic theoretical study of the harmonic vibrational frequencies for polyatomic molecules: The single, double, and perturbative triple excitation coupled-cluster [CCSD(T)] method
Analytic gradient methods have been used to predict the harmonic vibrational frequencies and the infrared (IR) intensities of HCN, HNC, CO2, CH4, NH4+, C2H2, H2O, H2CO, and NH3 ...