***,Valence multireference CI for X and A states of H2O gthresh,energy=1.d-8 r=0.957,angstrom,theta=104.6,degree; geometry={O; !z-matrix geometry input H1,O,r; H2,O,r,H1,theta} {hf;wf,10,1;} !TOTAL SCF ENERGY -76.02680642 {multi;occ,4,1,2;closed,2;frozen,1;wf,9,2,1;wf,9,1,1;tran,ly} !MCSCF ENERGY -75.66755631 !MCSCF ENERGY -75.56605896 {ci;occ,4,1,2;closed,2;core,1;wf,9,2,1;save,7300.1} !TOTAL MRCI ENERGY -75.79831209 {ci;occ,4,1,2;closed,2;core,1;wf,9,1,1;save,7100.1} !TOTAL MRCI ENERGY -75.71309879 {ci;trans,7300.1,7100.1,ly} !Transition moment <1.3|X|1.1> = -0.14659810 a.u. !Transition moment <1.3|LY|1.1> = 0.96200488i a.u.