&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O-hfx-1
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      IGNORE_CONVERGENCE_FAILURE
      MAX_SCF 3
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        &MEMORY
          MAX_MEMORY 10
        &END MEMORY
        &SCREENING
          EPS_SCHWARZ 1.0E-10
        &END SCREENING
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      O   0.000000    0.000000   -0.065587
      H   0.000000   -0.757136    0.520545
      H   0.000000    0.757136    0.520545
    &END COORD
    &KIND H
      BASIS_SET 6-31Gxx
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET 6-31Gxx
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
