TITLE CS2_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS S 16 0.000000 0.000000 1.545008 LIBRARY SscG2ae END C 6 0.000000 0.000000 0.000000 LIBRARY CscG2ae END S 16 0.000000 0.000000 -1.545008 LIBRARY SscG2ae END END MULTIPLICITY 2 UHF NOOCCAV GUESS EXTGUESS DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH