&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT RI_MP2_CH3
  RUN_TYPE ENERGY
  &TIMINGS
    THRESHOLD 0.01
  &END TIMINGS
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME HFX_BASIS
    MULTIPLICITY 2
    POTENTIAL_FILE_NAME POTENTIAL
    UKS
    &MGRID
      CUTOFF 100
      REL_CUTOFF 20
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER WAVELET
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-15
      EPS_PGF_ORB 1.0E-30
      METHOD GPW
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      MAX_SCF 100
      SCF_GUESS ATOMIC
    &END SCF
    &XC
      &HF
        FRACTION 1.0000000
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END SCREENING
      &END HF
      &WF_CORRELATION
        MEMORY 500.0
        NUMBER_PROC 1
        &INTEGRALS
          &WFC_GPW
            CUTOFF 50
            EPS_FILTER 1.0E-6
            EPS_GRID 1.0E-6
            REL_CUTOFF 20
          &END WFC_GPW
        &END INTEGRALS
        &RI_MP2
        &END RI_MP2
      &END WF_CORRELATION
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &SUBSYS
    &CELL
      ABC [angstrom] 6.000 6.000 6.000
      PERIODIC NONE
    &END CELL
    &KIND H
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q1
    &END KIND
    &KIND C
      BASIS_SET DZVP-GTH
      BASIS_SET RI_AUX RI_DZVP-GTH
      POTENTIAL GTH-HF-q4
    &END KIND
    &TOPOLOGY
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME CH3.xyz
      &CENTER_COORDINATES
      &END CENTER_COORDINATES
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
