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