&GLOBAL
  PROJECT H2O-fixed
  RUN_TYPE GEO_OPT
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &CONSTRAINT
    &FIXED_ATOMS
      LIST 1
    &END FIXED_ATOMS
  &END CONSTRAINT
  &GEO_OPT
    OPTIMIZER BFGS
    MAX_ITER 3
    MAX_DR 0.001
    RMS_DR 0.0005
    MAX_FORCE 0.00015
    RMS_FORCE 0.0001
  &END GEO_OPT
  &PRINT
    &STRUCTURE_DATA
      POSITION 1
      POSITION 2
      POSITION 3
      DISTANCE 1 2
      DISTANCE 1 3
      ANGLE 2 1 3
    &END STRUCTURE_DATA
  &END PRINT
&END MOTION
&FORCE_EVAL
  METHOD QS
  &DFT
    BASIS_SET_FILE_NAME BASIS_SET
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 200
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
      EXTRAPOLATION use_prev_p
    &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 5.0 5.0 5.0
    &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 DZV-GTH-PADE
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-PADE
      POTENTIAL GTH-PADE-q6
    &END KIND
    &PRINT
      &STRUCTURE_DATA
        POSITION 1
        POSITION 2
        POSITION 3
        DISTANCE 1 2
        DISTANCE 1 3
        ANGLE 2 1 3
      &END STRUCTURE_DATA
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
