Saykally and co-workers carried out many spectral studies to investigate the structure and dynamics of various water (H 2 O) n (n=2-6) clusters. These studies revealed that cyclic trimer, tetramer and pentamer clusters of water have minimum energies structures. Water hexamer having cage-like structure with eight HB is the most stable one. Kulcke et al. studied the absorption behaviour of small water clusters (H 2 O) n , (n = 2-5). The stretching frequency of O-H group involved in the HB for n = 2 to 5 were seen to be red shifted from 3601 cm in the dimer to 3360 cm -1 in the pentamer. Apart from these experimental methods a number of theoretical studies which focus on the structure, stability, enthalpy and binding energies (BE) in the water clusters. For instance, Suresh and Naik, reported the enthalpy of a breaking away of a single water from the liquid bulk water to be 5.6 kcal mol -1 . Silverstein et al. gave HB enthalpy values in water to be 1.9 kcal mol -1 . These values were reported to be 1.5 kcal mol -1 by Smith and co-workers. Iwata reported the average HB energy (total binding energy divided by the number of HBs) in W 20 and W 25 to be 6.0 and 6.1 kcal mol -1 respectively. Based on the quantum theory of atoms in molecules (QTAIM) and interacting quantum atoms (IQA), Guevara-Vela et al. reported the strength of HBs and cooperativity effects in pairs of dimers in water hexamers. A large number of studies have been carried out on the structural properties of water clusters; we skipped the discussion here for brevity. Hydrogen sulphide is the one of the interest of HB study because sulphur-centered hydrogen bonding (SCHBs) have drawn more attention due to their prevalence and importance in both materials science and biological systems. Many different properties (i.e., dipole moment, polarities, dispersion energy contribution etc.) of H 2 S clusters were observed from the typical hydrogen-bonded clusters. H 2 S dimer has been the subject of a number of theoretical and experimental studies reported in the literature. For instance, using IR-predissociation spectroscopy, Wategaonkar et al. detected the red-shift in proton-donating S-H bond by 31 cm -1 in H 2 S dimer.