&GLOBAL
  PROGRAM_NAME ATOM
  PROJECT Mo
&END GLOBAL

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