TITLE CO, Truhlar geometry PWFTOL 0.000000000001 ANGSTROM ATOMS O 8 0.000000 0.000000 0.000000 LIBRARY OscG2ae END C 6 0.000000 0.000000 1.129608 LIBRARY CscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH