&GLOBAL
  PRINT_LEVEL LOW
  PROJECT CH3F-PBEh-admm-pseudo
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  &DFT
    AUTO_BASIS RI_XAS MEDIUM
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    BASIS_SET_FILE_NAME BASIS_MOLOPT
    BASIS_SET_FILE_NAME BASIS_ADMM
    POTENTIAL_FILE_NAME POTENTIAL
    &AUXILIARY_DENSITY_MATRIX_METHOD
      ADMM_PURIFICATION_METHOD MO_DIAG
    &END AUXILIARY_DENSITY_MATRIX_METHOD
    &MGRID
      CUTOFF 100
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      METHOD GAPW
    &END QS
    &SCF
      EPS_SCF 1.0E-4
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XAS_TDP
      DIPOLE_FORM LENGTH
      GRID F 100 250
      &DONOR_STATES
        DEFINE_EXCITED BY_KIND
        KIND_LIST F
        LOCALIZE
        N_SEARCH 1
        STATE_TYPES 1s
      &END DONOR_STATES
      &GW2X
        BATCH_SIZE 1
      &END GW2X
      &KERNEL
        &EXACT_EXCHANGE
          FRACTION 0.45
        &END EXACT_EXCHANGE
        &XC_FUNCTIONAL
          &PBE
            SCALE_X 0.55
          &END PBE
        &END XC_FUNCTIONAL
      &END KERNEL
    &END XAS_TDP
    &XC
      &HF
        FRACTION 0.45
      &END HF
      &XC_FUNCTIONAL
        &PBE
          SCALE_X 0.55
        &END PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 5.0 5.0 5.0
      PERIODIC NONE
    &END CELL
    &COORD
      H   0.00260325  -0.00450550   1.10443341
      H   1.04213378  -0.00450788  -0.36568798
      H  -0.51716250  -0.90476795  -0.36569384
      F  -0.64981636   1.12551553  -0.45949111
    &END COORD
    &KIND H
      BASIS_SET DZVP-MOLOPT-SR-GTH
      BASIS_SET AUX_FIT FIT3
      POTENTIAL GTH-PBE
    &END KIND
    &KIND F
      BASIS_SET 6-31G*
      BASIS_SET AUX_FIT 3-21G*
      POTENTIAL ALL
    &END KIND
    &TOPOLOGY
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
