gthresh,twoint=1d-20,energy=1d-10,orbital=1d-8 ! tighter thresholds are recommended gdirect ! integral-direct mode basis={ default,aug-cc-pwCVQZ ! orbital basis set,ri; default,aug-cc-pwCVQZ/mp2fit ! RI basis } symmetry,nosym ! URIRPA does not use symmetry angstrom geometry={ 3 N 0.000000 0.000000 0.142235 H 0.000000 0.800646 -0.497821 H 0.000000 -0.800646 -0.497821 } spin=1 df-uks,pbe,df_basis=aug-cc-pwCV5Z/mp2fit,maxit=200 ! DFT calculation {cfit,basis_coul=aug-cc-pwCV5Z/mp2fit,basis_exch=aug-cc-pwCV5Z/mp2fit} acfd;urirpa ! RPA/sigma-functional calculation; one can use alternatively: ksrpa;urirpa