&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT CH3-hfx-converged
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    AUTO_BASIS RI_HFX SMALL
    BASIS_SET_FILE_NAME GTH_BASIS_SETS
    LSD
    POTENTIAL_FILE_NAME GTH_POTENTIALS
    &MGRID
      CUTOFF 300
      REL_CUTOFF 50
    &END MGRID
    &POISSON
      PERIODIC NONE
      PSOLVER MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-12
      EPS_FILTER_MATRIX 0.0e0
      EPS_PGF_ORB 1.0E-16
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-07
      MAX_SCF 50
      SCF_GUESS ATOMIC
      &OT ON
        PRECONDITIONER FULL_ALL
      &END OT
    &END SCF
    &XC
      &HF
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE COULOMB
        &END INTERACTION_POTENTIAL
        &RI
        &END RI
      &END HF
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &END CELL
    &COORD
      C       0.0000   0.0000   0.0000
      H       0.0000   1.0728   0.0000
      H       0.9291   -0.5364 0.0000
      H      -0.9291 -0.5364 0.0000
    &END COORD
    &KIND H
      BASIS_SET ORB TZV2P-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
      BASIS_SET ORB TZV2P-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
