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Ab initio calculations at the G3X(MP2) level have been employed to examine the structures and energies of S 8 and H 2 S 6 isomers. A cluster structure with a spiraling chain of 8 atoms (C 2 symmetry) lies close in energy (33kJmol -1 ) to the eight-membered crown-S 8 global energy minimum. This cluster species is characterized by two three-coordinate atoms and a rectangular arrangement of four sulfur atoms at the formal chain-ends. This unusual cluster geometry can be rationalized in terms of a weak π * -π * bond between the two π * orbitals of the chain-end groups. A low-energy cluster-type structure is also predicted for hexasulfane.