&GLOBAL
  PROGRAM_NAME ATOM
  PROJECT Fe
&END GLOBAL

&ATOM
  COULOMB_INTEGRALS ANALYTIC
  ELECTRON_CONFIGURATION [Ar] 3d6 4s2
  ELEMENT Fe
  MAX_ANGULAR_MOMENTUM 2
  &AE_BASIS
    BASIS_TYPE GAUSSIAN
    D_EXPONENTS 8.317 4.442 1.953 0.775 0.266
    NUM_GTO 12 10 5
    P_EXPONENTS 5000.0 500.00 100.00 24.000 8.317 4.442 1.953 0.775 0.266 0.073
    S_EXPONENTS 100000. 20000. 5000.0 500.00 100.00 24.000 8.317 4.442 1.953 0.775 0.266 0.073
  &END AE_BASIS
  &METHOD
    METHOD_TYPE KOHN-SHAM
    RELATIVISTIC ZORA(MP)
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END METHOD
&END ATOM
