TITLE H2O -> data for net ANGSTROM ATOMS O 8.0 0.0 0.0 0.0 LIBRARY OSADLEJ END H1 1.0 POL 0.957 52.25 0 LIBRARY HSADLEJ 1 D 1 1 0.1 1.00 END H2 1.0 POL 0.957 52.25 180 LIBRARY HSADLEJ 1 D 1 1 0.1 1.00 END X1 0 0.0 0.8203091 -0.4928914 1 S 1 1 0.1 1.00 2 P 1 1 0.1 1.00 END X2 0 0.0 -0.8203091 -0.4928914 1 S 1 1 0.1 1.00 2 P 1 1 0.1 1.00 END END PWFTOL 0.000001 FIELD 0.0 0.0 0.001 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END POLARISABILITY START FINISH