In this work, a stochastic search of the structures of small Aun gold clusters (n = 2 – 8) was carried out, with the aim of identifying and characterizing the basic structural units that are suitable for describing the formation of gold nanoparticles. The selected clusters represent the basic building blocks on which more complex structures are based. The used "Kick" procedure proved to be a very effective and reliable tool, especially in terms of speed and precision in the search of the surface potential energy of tetramers, hexamers and octamers of gold. In addition, the applied theoretical level of DFT plays an important role in quantum chemical calculations, on which the results of the nature of the structures (minima or stationary points) depend. As the number of gold atoms in the oligomers increased, an increase in the number of possible configurational and conformational isomers was recorded, which significantly increases the complexity of the system. 3 stable isomers were located for Au4 particles, 9 structures were located for Au6, and 19 structures were located for Au8, which were true minima. At the same time, with the increase in the number of gold atoms in the clusters, an increase in the range of relative energy differences between different clusters was recorded (for Au4 the range is about 42 kJ/mol, for Au6 170 kJ/mol and for Au8 about 140 kJ/mol), which further complicates identification of the most stable structures. The presented stochastic search method, in combination with DFT calculations, proved to be extremely useful not only for understanding the structural diversity of small gold clusters, but also for wider application in the study of larger molecular systems. This methodology can also be effectively used to study interactions between localized isomers and biologically important compounds, opening possibilities for further research at the border of nanotechnology and biochemistry.