&GLOBAL
  PROJECT h2o-no2-selected-states-1
  PRINT_LEVEL LOW
  RUN_TYPE LINEAR_RESPONSE
&END GLOBAL
&FORCE_EVAL
  &DFT
    UKS T
    MULTIPLICITY 2
    BASIS_SET_FILE_NAME ../../../data/EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME ../../../data/POTENTIAL
    &MGRID
      CUTOFF 80
    &END MGRID
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_DIIS 0.6
      MAX_SCF 4
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &PROPERTIES
    &LINRES
       &LOCALIZE
         MAX_ITER 5
       &END
       MAX_ITER 10
       PRECONDITIONER FULL_SINGLE_INVERSE
       EPS 1E-4
       &CURRENT
          SELECTED_STATES_ON_ATOM_LIST 4 5 6
          SELECTED_STATES_ATOM_RADIUS 1.0
          GAUGE ATOM
          ORBITAL_CENTER ATOM
       &END CURRENT
       &NMR
       &END
    &END
  &END
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
    &END CELL
    &COORD
 O     0.000000     0.000000     0.000000
 H     0.000000     0.000000     0.947000
 H     0.895670     0.000000    -0.316663
 N    -1.131365     0.000000    -1.400005
 O    -2.316811     0.000000    -1.157482
 O    -0.645245     0.000000    -2.508060
    &END COORD
    &KIND H
      BASIS_SET 3-21G*
      POTENTIAL ALL
    &END KIND
    &KIND O
      BASIS_SET 3-21G*
      POTENTIAL ALL
    &END KIND
    &KIND N
      BASIS_SET 3-21G*
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
