“…Geometry Optimization: Sulfur geometry varies in the literature (see, e.g., [13]) in analog compounds: For instance, the C-S-C valence abgle extends from about 80 to 100; and S-C bond length, from about 1.75-1.95 A. Therefore, we have done a complete study of the HD geometry (correlated study of S-C, all H-C, and C-Cl bond lengths; H-C-C, H-C-C1, C-S-C and S-C-C valence angles; and H-C-C-S, and all H, C, C1, C dihedral angles).…”