***, MP2 optimization of core-valence cc-pCVDZ functions geometry={Ne} sexp=20. pexp=30. {minimize,ecv,sexp,pexp method,bfgs,varscale=1,thresh=1e-5,proc=myopt} proc myopt basis={ spd,Ne,vdz;c; s,Ne,sexp p,Ne,pexp } hf {mp2;core,1} eval=energy {mp2;core,0} eall=energy ecv=eall-eval endproc