**DIRAC .TITLE generic input .WAVE FUNCTION #.ANALYZE **GENERAL .PCMOUT **INTEGRALS *READIN .UNCONTRACTED **HAMILTONIAN .X2C #.DFT #BP86 *AMFI .AMFICH +4 **WAVE FUNCTION .SCF *SCF .EVCCNV 1.0D-7 5.0D-5 .MAXITR 45 # omit term in Fock mtx, ensure the convergence ! .OPENFAC 0.0 **ANALYZE .MULPOP *MULPOP .VECPOP all all *END OF