program debug double precision :: ao_overlap print *, ao_overlap(1,1) integer :: i do i=1,ao_prim_num(1) print *, ao_expo(i,1), ao_coef(i,1) enddo print *, '' print *, ao_overlap(1,5) print *, ao_power(5,1:3) do i=1,ao_prim_num(5) print *, ao_expo(i,5), ao_coef(i,5) enddo print *, '' print *, ao_overlap(5,5) end