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Abstract
The equilibrium geometry, relative stability and vibrational frequencies of CH 3Cl · HCl were calculated using MP2/6-31+G ∗∗ ab initio calculations. The results are discussed in the light of the infrared spectroscopic study of CD 3Cl/HCl mixtures, dissolved in liquefied noble gases. The influence of the solvents on the properties of the complex was investigated using the reaction field model, at the RHF/6-311+G ∗∗ level.
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