Data Accessibility: The QM-sym database is readily accessible through platforms like GitHub and Figshare using the links and , respectively. It provides QM_sym.xyz files containing atomic coordinates and a plethora of predicted properties, encompassing point group information, enthalpies, atomization energies, zero-point energies, and energy and symmetry labels spanning from HOMO-5 to LUMO+5. Each structure is uniquely indexed by QM_sym_i.xyz, with 'i' denoting the structure's database order.