***, Properties and transition moments for several lowest states of hydrogen fluoride basis=avdz ! define basis set geometry={h;f,h,r} ! z-matrix r=0.92 Ang ! define distance hf ! do SCF calculation {ccsd ! do CCSD calculation dm,5600.2 ! density matrices will be stored here expec,response,qm ! require quadrupole moments eom,-3.1,-2.2,-2.3,-2.4,trans=1} ! do EOM-CCSD calculation + properties pop;density,5600.2,state=2.4 ! make population analysis for state 2.4