Potential energy surfaces for the ground singlet (S-0), lowest excited singlet (S-1), and lowest triplet (T-0) electronic states of carbon disulfide are explored using ab initio Hartree-Fock (HF), generalized valence bond (GVB) and multiconfiguration self-consistent-held (MCSCF) methods using the 6-31G* basis. The lowest singlet hypersurface, S-0, contains the linear (D-infinity h) equilibrium geometry ground state X (1) Sigma(g)(+) and the previously unreported bent (C-2 upsilon) conformer (1)A(1). The calculated geometry of the linear state [r,(C-S)=1.544 Angstrom] compares favorably with experiment [ro(C-S)=1.556 Angstrom]; there are no experimental values to compare with the calculated geometry of the bent state Cr,(d-s)=1.718 Angstrom,

Keywords:MOLECULAR-ORBITAL METHODS;JET-COOLED CS2;2ND-ROW ELEMENTS;GROUND-STATE;BASIS-SETS;SPECTRA;DISTRIBUTIONS;FLUORESCENCE;ABSORPTION;TRANSITION