TITLE SO2 -> data for net BASIS SADLEJ ANGSTROM ATOMS S 16 0.0 0.0 0.0 O 8 0.0 1.234 0.72255 O 8 0.0 -1.234 0.72255 END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END POLARISABILITY START FINISH