&GLOBAL
  PRINT_LEVEL LOW
  PROJECT IAO
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_MINBAS
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 200
    &END MGRID
    &PRINT
      &IAO_ANALYSIS
        ATOMIC_CHARGES
        EPS_OCC 0.0
        EPS_SVD 0.0
        &BOND_ORBITALS
          &CHARGE_CENTER
            POSITION_OPERATOR_BERRY F
          &END CHARGE_CENTER
          &IBO_CUBES
            STATE_LIST 1
            STRIDE 3 3 3
          &END IBO_CUBES
          &IBO_MOLDEN
          &END IBO_MOLDEN
        &END BOND_ORBITALS
        &IAO_CUBES ON
          ATOM_LIST 2 3
          STRIDE 3 3 3
        &END IAO_CUBES
        &IAO_MOLDEN ON
        &END IAO_MOLDEN
        &ONE_CENTER_EXPANSION
          LMAX 5
        &END ONE_CENTER_EXPANSION
      &END IAO_ANALYSIS
    &END PRINT
    &QS
      EPS_DEFAULT 1.E-12
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    &COORD
      O         0.094933   -0.000368    0.895642
      C        -0.031077   -0.000121   -0.307326
      H        -0.090437    0.947608   -0.895642
      H        -0.094933   -0.947608   -0.895562
    &END COORD
    &KIND H
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET MIN min-pbe
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND C
      BASIS_SET DZVP-GTH-PADE
      BASIS_SET MIN min-pbe
      POTENTIAL GTH-PADE-q4
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
