&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
    &QS
      EPS_DEFAULT 1.E-12
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS ATOMIC
    &END
    &XC
       &XC_FUNCTIONAL PADE
       &END
    &END XC
    &PRINT
       &IAO_ANALYSIS
           EPS_SVD 0.0
           EPS_OCC 0.0
           ATOMIC_CHARGES
            &IAO_MOLDEN
            &END IAO_MOLDEN
            &IAO_CUBES 
               ATOM_LIST 1 2 3 4
            &END IAO_CUBES 
            &ONE_CENTER_EXPANSION
               LMAX 5
            &END ONE_CENTER_EXPANSION
            &BOND_ORBITALS
               &CHARGE_CENTER
                  POSITION_OPERATOR_BERRY  F
               &END CHARGE_CENTER
               &IBO_MOLDEN
               &END IBO_MOLDEN
               &IBO_CUBES
                   STRIDE 3 3 3
                   STATE_LIST 1
               &END IBO_CUBES
            &END BOND_ORBITALS
       &END
    &END
  &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
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
    &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
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT IAO
  RUN_TYPE ENERGY
  PRINT_LEVEL LOW
&END GLOBAL
