&GLOBAL
  PRINT_LEVEL low
  PROJECT ch2o
  RUN_TYPE geo_opt
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_ITER 1
  &END GEO_OPT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    BASIS_SET_FILE_NAME BASIS_ADMM
    MULTIPLICITY 3
    POTENTIAL_FILE_NAME POTENTIAL
    ROKS
    &LOW_SPIN_ROKS
      ENERGY_SCALING -2.0 2.0
      SPIN_CONFIGURATION 1 1
      SPIN_CONFIGURATION 1 2
    &END LOW_SPIN_ROKS
    &MGRID
      CUTOFF 200
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
    &END POISSON
    &QS
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 5.0E-6
      MAX_SCF 20
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_SINGLE_INVERSE
        ROTATION
        STEPSIZE 0.1
      &END OT
      &OUTER_SCF
        EPS_SCF 5.0E-6
        MAX_SCF 5
      &END OUTER_SCF
    &END SCF
    &XC
      &HF
        &SCREENING
          EPS_SCHWARZ 1.E-10
          EPS_SCHWARZ_FORCES 1.E-6
        &END SCREENING
      &END HF
      #     &XC_FUNCTIONAL PBE0
      #     &END XC_FUNCTIONAL
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 4.0 4.0 4.0
      PERIODIC NONE
    &END CELL
    &COORD
      O         0.9588431900        1.1234806613        1.8643358699
      C         1.0045827842        1.0372747429        0.6713062328
      H         1.0304990091        1.9328340670        0.0202209074
      H         1.0234151411        0.0574091066        0.1554705073
    &END COORD
    &KIND O
      BASIS_SET cFIT3
      POTENTIAL GTH-PBE-q6
    &END KIND
    &KIND C
      BASIS_SET cFIT3
      POTENTIAL GTH-PBE-q4
    &END KIND
    &KIND H
      BASIS_SET cFIT3
      POTENTIAL GTH-PBE-q1
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
