gprint,orbitals symmetry,y,planexz geometry={O;H1,O,r;h2,O,r,h1,alpha} r=1.8 alpha=104 int; {hf;wf,10,1;orbital,2100.2} {multi;wf,10,1;orbital,2140.2} {matrop load,dscf,density,2100.2 !load scf density load,dmcscf,density,2140.2 !load mcscf density add,ddiff,dmcscf,-1,dscf !compute dmcscf-dscf natorb,neworb1,dscf natorb,neworb2,dmcscf natorb,neworbs,ddiff save,neworbs,2110.2 save,ddiff,2110.2} put,molden,h2o_ddens.molden;orb,2110.2