TITLE hello ANGSTROM ATOMS C 6 0.0 0.0 0.0 LIBRARY CSADLEJ END O 8 0.0 0.0 1.203 LIBRARY OSADLEJ END H 1 POL 1.099 121.75 0.0 LIBRARY HSADLEJ 1 D 1 1 0.1 1.00 END H 1 POL 1.099 121.75 180.0 LIBRARY HSADLEJ 1 D 1 1 0.1 1.00 END X 0 0.0 -1.022973727 1.83603535 1 S 1 1 0.1 1.00 1 P 1 1 0.1 1.00 END X 0 0.0 1.022973727 1.83603535 1 S 1 1 0.1 1.00 1 P 1 1 0.1 1.00 END END FIELD 0.0 0.0 0.001 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END POLARISABILITY START FINISH