&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME EMSL_BASIS_SETS
    POTENTIAL_FILE_NAME POTENTIAL
    &MGRID
      CUTOFF 100
      REL_CUTOFF 30
    &END MGRID
    &QS
      METHOD GAPW
      EPS_PGF_ORB 1.0E-15
    &END QS
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS ATOMIC
      MAX_SCF 1
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        &SCREENING
          EPS_SCHWARZ 1.0E-15
        &END
        &MEMORY
          MAX_MEMORY  0
        &END
      &END
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 12 12 12
      PERIODIC NONE
    &END CELL
    &COORD
       H01 6.0 6.0 5.2
       H02 6.0 6.0 6.0
       H03 4.5 6.0 5.2
       H04 4.5 6.0 6.0
       H05 7.5 6.0 5.2
       H06 7.5 6.0 6.0
       H01 6.0 7.5 5.2
       H02 6.0 7.5 6.0
       H03 4.5 7.5 5.2
       H04 4.5 7.5 6.0
       H05 7.5 7.5 5.2
       H06 7.5 7.5 6.0
    &END COORD
    &KIND H01 ! nsgf 1
      ELEMENT H
      &BASIS
       1
       1 0 0 3 1
       1.0 1.0
       0.4 1.0
       0.1 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H02 ! nsgf 2
      ELEMENT H
      &BASIS
       1
       1 0 0 3 2
       1.0 1.0 1.0
       0.4 1.0 0.0
       0.1 1.0 0.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H03 ! nsgf 3
      ELEMENT H
      &BASIS
       1
       1 0 0 3 3
       1.0 1.0 1.0 0.0
       0.4 1.0 0.0 1.0
       0.1 1.0 0.0 0.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H04 ! nsgf 4
      ELEMENT H
      &BASIS
       1
       1 0 1 3 1 1
       1.0 1.0 1.0
       0.4 1.0 1.0
       0.1 1.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H05 !nsgf 5
      ELEMENT H
      &BASIS
       1
       1 0 1 3 2 1
       1.0 1.0 1.0 1.0
       0.4 1.0 0.0 1.0
       0.1 1.0 0.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H06 ! nsgf 6
      ELEMENT H
      &BASIS
       1
       1 0 1 3 3 1
       1.0 1.0 1.0 0.0 1.0
       0.4 1.0 0.0 1.0 1.0
       0.1 1.0 0.0 0.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H07 ! nsgf 7
      ELEMENT H
      &BASIS
       1
       1 0 1 3 1 2
       1.0 1.0 1.0 1.0
       0.4 1.0 0.0 1.0
       0.1 1.0 0.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H08 ! nsgf 9
      ELEMENT H
      &BASIS
       1
       1 0 2 3 1 1 1
       1.0 1.0 1.0 1.0
       0.4 1.0 1.0 1.0
       0.1 1.0 1.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H09 ! nsgf 10
      ELEMENT H
      &BASIS
       1
       1 0 2 3 2 1 1
       1.0 1.0 1.0 1.0 1.0
       0.4 1.0 0.0 1.0 1.0
       0.1 1.0 0.0 1.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H10 ! nsgf 11
      ELEMENT H
      &BASIS
       1
       1 0 2 3 3 1 1
       1.0 1.0 1.0 0.0 1.0 1.0
       0.4 1.0 0.0 1.0 1.0 1.0
       0.1 1.0 0.0 0.0 1.0 1.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H11 ! nsgf 15
      ELEMENT H
      &BASIS
       1
       1 0 2 3 2 1 2
       1.0 1.0 1.0 1.0 1.0 1.0
       0.4 1.0 0.0 1.0 1.0 0.0
       0.1 1.0 0.0 1.0 1.0 0.0
      &END
      POTENTIAL ALL
    &END KIND
    &KIND H12
      ELEMENT H
      &BASIS
       1
       1 0 0 3 1
       1.0 1.0
       0.4 1.0
       0.1 1.0
      &END
      POTENTIAL ALL
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-hfx-1
  PRINT_LEVEL MEDIUM
  RUN_TYPE ENERGY
&END GLOBAL
