This work deals with the molecular dynamics study of the influence of clustering of H2O vapor and atmospheric gases CO2, N2O, CH4, C2H2, and C2H6 on the greenhouse effect. The IR absorption spectra were calculated for systems formed by water clusters and molecules of the above greenhouse gases at 233 K. Due to clustering, a homogeneous single-phase system represented by a mixture of gases transforms into a “twophase” or even “three-phase” state since, depending on the ambient conditions, clusters constituting a fine “phase” can be in both the liquid and solid states.