&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O_gfn1_mol_debug
  RUN_TYPE DEBUG
&END GLOBAL

&DEBUG
  DEBUG_FORCES T
  DEBUG_STRESS_TENSOR T
  DX 0.0001
  MAX_RELATIVE_ERROR 0.5
  STOP_ON_MISMATCH F
&END DEBUG

&FORCE_EVAL
  STRESS_TENSOR ANALYTICAL
  &DFT
    &QS
      EPS_DEFAULT 1.00E-10
      METHOD xTB
      &XTB
        GFN_TYPE 1
      &END XTB
    &END QS
    &SCF
      EPS_SCF 1.e-10
      MAX_SCF 300
      SCF_GUESS MOPAC
      &MIXING
        ALPHA 0.2
        METHOD DIRECT_P_MIXING
      &END MIXING
      &PRINT
        &RESTART OFF
        &END RESTART
      &END PRINT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 20.0000000000 20.0000000000 20.0000000000
      PERIODIC NONE
    &END CELL
    &COORD
      O     0.421000    0.377000    0.289000
      H     1.179602    0.391000    0.793284
      H    -0.337602    0.364000    0.793284
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
