TITLE CCO_m, MP2/6-31G* geometry CHARGE -1 PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 0.100368 0.000000 0.000000 LIBRARY CscG2ae END C 6 1.410763 0.000000 0.000000 LIBRARY CscG2ae END O 8 -1.133348 0.000000 0.000000 LIBRARY OscG2ae END END MULTIPLICITY 2 UHF NOOCCAV GUESS EXTGUESS DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH