***,h2o gthresh,energy=1.d-9 basis=avtz r = 0.9572 ang, theta = 104.52 geometry={ O; H1,O,r; H2,O,r,H1,theta} hf multi mrci text,Compute energies, extrapolate reference energy using EX1 and correlation energy using L3; text,The Davidson corrected energy is also extraplated extrapolate,basis=avtz:avqz:av5z,method_c=l3,method_r=ex1,npc=2 emc=energr ecorr_mrci=energy-emc ecorr_mrciq=energd-emc text,Extrapolate reference energy by EX1 and correlation energy by LH3 text,The Davidson corrected energy is also extraplated extrapolate,basis=avtz:avqz:av5z,ecorr=ecorr_mrci,ecorrd=ecorr_mrciq,method_c=LH3,eref=emc,method_r=ex1,npc=2