&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
        &EXCHANGE
          CUTOFF   [angstrom] 4.9325
          RC_TAPER [angstrom] 12.0
          RC_RANGE [bohr]      1.0
        &END
      &END
      EXTRAPOLATION PS
      EXTRAPOLATION_ORDER 4
    &END QS
    &SCF
      MAX_SCF 40
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      &PRINT
         &RESTART OFF
         &END
      &END
      &OT 
        PRECONDITIONER FULL_SINGLE_INVERSE
        MINIMIZER DIIS
        N_DIIS 9
      &END
      &OUTER_SCF
        MAX_SCF 5
        EPS_SCF 1.0E-6
      &END
    &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
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT wfn_ex2
  RUN_TYPE MD
  PRINT_LEVEL MEDIUM
&END GLOBAL
&MOTION
 &MD
    TIMESTEP 0.5
    STEPS 5
 &END
&END
