&GLOBAL
  PROJECT Mo
  PROGRAM_NAME ATOM
&END GLOBAL
&ATOM
  ELEMENT Mo
  ELECTRON_CONFIGURATION CORE 4d5 5s1
  CORE  [Kr]
  MAX_ANGULAR_MOMENTUM 2
  &METHOD
     METHOD_TYPE  KOHN-SHAM
     &XC
       &XC_FUNCTIONAL B3LYP
       &END XC_FUNCTIONAL
     &END XC
  &END METHOD
  &POTENTIAL
    PSEUDO_TYPE GTH
    POTENTIAL_NAME GTH-PADE-q6
  &END POTENTIAL
  &PP_BASIS
     BASIS_TYPE GEOMETRICAL_GTO
     NUM_GTO  10 10 10
     GEOMETRICAL_FACTOR  2.60
     GEO_START_VALUE     0.2
  &END PP_BASIS
&END ATOM
