title "Basis set projection from cc-pvdz to aug-cc-pvdz" start proj geometry autosym O 0.0 0.0 -0.02 H -0.74 0.0 -0.76 H 0.74 0.0 -0.76 end basis "small basis" H library cc-pvdz O library cc-pvdz end basis "large basis" H library aug-cc-pvdz O library aug-cc-pvdz end set "ao basis" "small basis" scf vectors input atomic output small.movecs end task scf set "ao basis" "large basis" scf vectors input project "small basis" small.movecs output large.movecs end task scf