gdirect ! integral-direct mode basis={ default,aug-cc-pwCVQZ ! orbital basis set,oep;default,aug-cc-pVDZ/mp2fit ! OEP basis set,dfit;default,aug-cc-pwCV5Z/mp2fit ! density fitting basis } symmetry,nosym ! SCEXX does not use symmetry angstrom geometry={ 2 C 0.000000 0.000000 -0.646514 O 0.000000 0.000000 0.484886 } df-hf,maxit=0,df_basis=dfit ! HF calculation with 0 iteration {cfit,basis_coul=dfit,basis_exch=dfit} acfd;scexx,thr_fai_oep=1.7d-2 ! SCEXX calculation