We sampled potential energy surfaces of neutral and anionic B3Hy clusters using the Gradient Embedded Genetic Algorithm (GEGA) program at the B3LYP/3-21G level of theory. The lowest energy isomers were recalculated at the B3LYP/6-311 + +G**, MP2/6-311 ++G**, and CCSD(T)/6-311++G**levels of theory. We found a diverse set of global minimum structures and low-lying isomers for the studied clusters. The Adaptive Natural Density Partitioning (AdNDP) method was then used for chemical bonding analysis for all global minimum structures and low-lying isomers. The chemical bonding patterns revealed by the AdNDP analysis can easily explain the geometric structure of even very exotic isomers and global minima.