Spectra in Gaseous Phase and Inert Gas Matrices

TABLE 1.16. Comparison of Observed and Calculated Frequencies (cm ) and Normal Modes of H2O 

Assignment HOH bending Symmetric OH stretch Antisymmetric OH stretch  

Fxm can be coverted to using Eqs. 1.230 and 1.232. Several computer programs are available for this conversion [118]. 

Computer programs such as Gaussian 03 can simultaneously calculate several other parameters including normal modes (shown in Table 1.15), IR intensities, Raman scattering intensities, and depolarization ratios. 

VIBRATIONAL SPECTRA IN GASEOUS PHASE [122] AND INERT GAS MATRICES [29,30] 

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