The present research is designed to purify the atmosphere from gas admixtures of natural and anthropogenic origin. The dielectric properties of water clusters that absorbed CO2 and CH4 molecules have been investigated by a molecular dynamics method. The excessive free clusters’ energy was calculated and their thermal, mechanical and dielectric stability was determined. It was shown that water clusters containing up to twenty molecules remained thermodynamically stable after adjustment of up to two CO2 molecules and up to six CH4 molecules. The frequency dependence of complex dielectric permeability of clusters was calculated. Both (real) and (imaginary) parts of water clusters’ dielectric permeability strongly depend on what molecules (CO2 or CH4) were absorbed by the aggregate. The CH4 molecule absorption may lead to a significant increase of value at a certain frequency level, while the absorption of a CO2 molecule shifts the oscillations of the value towards higher frequencies without a significant increase in their amplitude. After a CO 2 molecule’s absorption by water clusters, the oscillations of value at 100 cm decrease on amplitude. Thus, the spots of functions maximum practically do not vary. In the case of a CH4 molecule’s absorption, the type of function changes significantly: from oscillatory to unimodal with the maximum at = 275 cm frequency. In the process of CO2 molecules’ addition there is a substantial increase of dielectric permeability and intensity of infrared spectra of (CO2) i (H2O) 10 clusters in a frequency range of Earth radiation. After absorption of even one methane molecule by water clusters the frequency dependence of absorption coefficient changes significantly. The number of maximums for dependence reduces from two to one, thus the most active frequency for infrared radiation absorption decreases. Hence, the dielectric properties and water clusters’ stability are defined not only by polarity of absorbed molecules, but also by the form and distribution of electric charges in an admixture’s molecules. The increase of charges’ distribution symmetry, and the shapes of the admixture molecule, promotes time increase for molecules reorientation in clusters.