***,h2o gthresh,energy=1.d-9 basis=avtz r = 0.9572 ang, theta = 104.52 geometry={!nosym O; H1,O,r; H2,O,r,H1,theta} hf {ccsd(t)} text,compute energies, extrapolate reference energy using EX1 and correlation energy using L3 extrapolate,basis=avtz:avqz:av5z,method_c=l3,method_r=ex1,npc=2 ehf=energr(1:3) etot=energy(1:3) text,extrapolate total energy using EX2 extrapolate,basis=avtz:avqz:av5z,etot=etot,method=ex2 text,extrapolate reference energy by EX1 and correlation energy by EX2 extrapolate,basis=avtz:avqz:av5z,etot=etot,method_c=ex2,eref=ehf,method_r=ex1 text,extrapolate reference energy by EX1 and correlation energy by LH3 extrapolate,basis=avtz:avqz:av5z,etot=etot,method_c=LH3,eref=ehf,method_r=ex1,npc=2 text,extrapolate reference energy by EX1 and correlation energy by LX extrapolate,basis=avtz:avqz:av5z,etot=etot,method_c=LX,eref=ehf,method_r=ex1,xc=[3,4],pc=0.5