&GLOBAL
  PRINT_LEVEL LOW
  PROJECT water1
  RUN_TYPE ENERGY
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &PROPERTIES
    &TDDFPT
       KERNEL sTDA
       NSTATES      5
       MAX_ITER    50
       CONVERGENCE [eV] 1.0e-6
       RKS_TRIPLETS F
    &END TDDFPT
  &END PROPERTIES
  &DFT
    &QS
      METHOD xTB
    &END QS
    &SCF
      SCF_GUESS ATOMIC 
      &OT
         PRECONDITIONER FULL_SINGLE_INVERSE
         MINIMIZER DIIS
      &END
      &OUTER_SCF
         MAX_SCF  20
         EPS_SCF 1.0E-4
      &END
      MAX_SCF  50
      EPS_SCF 1.0E-4
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 5.0 5.0 5.0
      PERIODIC NONE
    &END
    &COORD
    O   0.000000    0.000000    0.000000
    H   0.000000   -0.757136    0.580545
    H   0.000000    0.757136    0.580545
    &END COORD
    &TOPOLOGY
     &CENTER_COORDINATES
     &END
    &END
  &END SUBSYS
&END FORCE_EVAL
