&GLOBAL
  PROJECT O2_opt_lribas_contract
  RUN_TYPE ENERGY
  PRINT_LEVEL low
&END GLOBAL
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    CHARGE 0
    MULTIPLICITY 3
    UNRESTRICTED_KOHN_SHAM T
    BASIS_SET_FILE_NAME BASIS_LRI
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      NGRIDS 1
      CUTOFF 150
    &END MGRID
    &POISSON
       PERIODIC NONE
       POISSON_SOLVER MT
    &END
    &QS
      METHOD GPW
      &OPTIMIZE_LRI_BASIS
        ACCURACY 1.0E-10
        STEP_SIZE 0.005
        MAX_FUN 4
        DEGREES_OF_FREEDOM ALL
        GEOMETRIC_SEQUENCE
        USE_CONDITION_NUMBER
        CONDITION_WEIGHT 1.0E-4
        &CONSTRAIN_EXPONENTS
          SCALE 0.3
        &END
      &END
    &END QS
    &SCF
      SCF_GUESS atomic
      MAX_SCF 2
      &DIAGONALIZATION
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PADE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 12.0 12.0 12.0
      PERIODIC NONE
    &END CELL
    &COORD
 O     0.000000     0.000000     0.000000
 O     0.000000     0.000000     1.210000
   &END COORD
   &TOPOLOGY
    &CENTER_COORDINATES
    &END
   &END
    &KIND O
      BASIS_SET SZV-MOLOPT-GTH
      POTENTIAL GTH-PADE-q6
      LRI_BASIS_SET LRI_SZV-GTH_contract
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
