gthresh,energy=1.d-8 basis=vdz geometry={ O1 ,, -0.702196054 , -0.056060256 , 0.009942262 H1 ,, -1.022193224 , 0.846775782 , -0.011488714 H1 ,, 0.257521062 , 0.042121496 , 0.005218999 O2 ,, 2.220871067 , 0.026716792 , 0.000620476 H2 ,, 2.597492682 , -0.411663274 , 0.766744858 H2 ,, 2.593135384 , -0.449496183 , -0.744782026 } itreat=[1,2,3,4,5] do i=1,5 df-hf {df-lccsd, local,keepcls=1,how_treatclswk=itreat(i)} enddo