The presence and nature of these chalcogen bonding interactions in syn,syn-ZZ-1S were further characterized using NCI and NBO analyses. The NBO analysis revealed two distinct types of donor-acceptor interactions between adjacent sulfur atoms, involving LP(S)→σ*(S-C) orbital interactions with stabilization energies of 1.69 and 1.36 kcal/mol. Notably, syn,syn-ZZ-1S exhibited a unique dual-chalcogen bonding interaction mode, in which the central sulfur atom simultaneously participated in the interactions on both sides.