&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O-3
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DX 0.001
&END DEBUG

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    CHARGE 0
    &QS
      METHOD PM6
      &SE
        ANALYTICAL_GRADIENTS T
        &COULOMB
          CUTOFF [angstrom] 12.0
          RC_RANGE [bohr] 1.0
        &END COULOMB
        &EXCHANGE
          CUTOFF [angstrom] 4.9325
          RC_RANGE [bohr] 1.0
          RC_TAPER [angstrom] 12.0
        &END EXCHANGE
      &END SE
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      MAX_SCF 40
      SCF_GUESS ATOMIC
      &OT
        MINIMIZER DIIS
        N_DIIS 9
        PRECONDITIONER FULL_SINGLE_INVERSE
      &END OT
      &OUTER_SCF
        EPS_SCF 1.0E-6
        MAX_SCF 5
      &END OUTER_SCF
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 9.865 9.865 9.865
    &END CELL
    &COORD
      O                  -0.083   4.218   0.070   H2O
      H                  -0.431   3.397   0.609   H2O
      H                   0.377   3.756  -0.688   H2O
      O                  -0.740  -1.262  -0.029   H2O
      H                  -1.272  -0.422  -0.099   H2O
      H                  -0.403  -1.349   0.873   H2O
    &END COORD
    &KIND H
    &END KIND
    &KIND O
    &END KIND
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
