TITLE CO2 PWFTOL 0.00000000001 NOSYM ANGSTROM ATOMS C 6 0.0 0.0 0.0 LIBRARY CSADLEJ END S 16 0.0 0.0 -1.5526 LIBRARY SSADLEJ END S 16 0.0 0.0 1.5526 LIBRARY SSADLEJ END END MULTIPLICITY 1 ORIGIN COM DFT KOHNSHAM EM LEGENDRE VFOCK OFF MOBASIS OFF functional QUAD 5 END START PROPERTY START FINISH