&GLOBAL
  PROJECT  O2_dyn
  PRINT_LEVEL LOW
  &TIMINGS
     THRESHOLD 0.01
  &END
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS  1
  &END
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    BASIS_SET_FILE_NAME  HFX_BASIS
    POTENTIAL_FILE_NAME  POTENTIAL
    &MGRID
      CUTOFF  100
      REL_CUTOFF  20
    &END MGRID
    &QS
      METHOD GPW
      EPS_DEFAULT 1.0E-10
      EPS_PGF_ORB 1.0E-20
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-5
      MAX_SCF 100
    &END SCF
    &XC
      &XC_FUNCTIONAL NONE
      &END XC_FUNCTIONAL
      &HF
        FRACTION 1.0000000
        &SCREENING
          EPS_SCHWARZ 1.0E-6
          SCREEN_ON_INITIAL_P FALSE
        &END SCREENING
        &INTERACTION_POTENTIAL
          POTENTIAL_TYPE TRUNCATED
          CUTOFF_RADIUS 1.5
          T_C_G_DATA t_c_g.dat
        &END
      &END HF
      &WF_CORRELATION
        &RI_MP2
          BLOCK_SIZE  1
        &END
        &CANONICAL_GRADIENTS
          EPS_CANONICAL 0.0001
          FREE_HFX_BUFFER .TRUE.
        &END
        &INTEGRALS
        &WFC_GPW
          CUTOFF  50
          REL_CUTOFF 25
          EPS_FILTER 1.0E-5
          EPS_GRID 1.0E-4
        &END WFC_GPW
        &END INTEGRALS
        MEMORY  500.0
        NUMBER_PROC  1
      &END
    &END XC
    UKS
    MULTIPLICITY  3
  &END DFT
  &SUBSYS
    &VELOCITY
           0.0                       0.0                       0.0
           0.0                       0.0                       0.0
    &END VELOCITY
    &CELL
      ABC [angstrom]  6.000   6.000   6.000
      !PERIODIC NONE
    &END CELL
    &KIND O
      BASIS_SET         DZVP-GTH
      BASIS_SET RI_AUX  RI_DZVP-GTH
      POTENTIAL         GTH-HF-q6
    &END KIND
    &COORD
  O         4.0000000084        4.0000000084        4.6623718822
  O         3.9999999905        3.9999999905        3.3376281178
    &END
    &TOPOLOGY
      &CENTER_COORDINATES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
