geometry={c;n,c,r} r=1.1 angstrom dfunc,b-lyp rhf;method(1)=program dft;edf(1)=dftfun uhf;method(2)=program dft;edf(2)=dftfun uks;method(3)=program,edf(3)=dftfun dft;method(4)=program,edf(4)=dftfun table,dftname,dftfuns table,method,edf