print,orbitals,civector geometry={Cu} basis={ default,vtz set,avas default,vtz sp,cu,vtz;c d,cu,vtz c,1.8, 0.002646 0.020501 0.082753 0.209939 0.327763 0.345424 0.271188 0.145080 !3d c,1.8, -0.003764 -0.029110 -0.121384 -0.314695 -0.384907 0.076640 0.525780 0.337258 !4d } {avas,minao_basis=avas center,1,4s,3d,4d} !generate AVAS starting orbitals for the subsequent CASSCF {df-casscf}