&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD xTB
      EPS_DEFAULT 1.0E-10
      EPS_PGF_ORB 1.0E-20
    &xTB
     DO_EWALD F
     CHECK_ATOMIC_CHARGES OFF
      DO_NONBONDED T
        &NONBONDED
         &GENPOT
          ATOMS Br Xe
          FUNCTION Aparam*exp(-Bparam*r)-Cparam/r**8
          PARAMETERS Aparam Bparam Cparam
          VALUES 49.507 1.441 6703.192
          VARIABLES r
         &END GENPOT
        &END NONBONDED
    &END XTB
    &END QS
    &SCF
      SCF_GUESS RESTART
      EPS_SCF 1.0E-5
      MAX_SCF 100
      &OT
        MINIMIZER DIIS
        PRECONDITIONER FULL_S_INVERSE
      &END
      &OUTER_SCF
         EPS_SCF 1.0E-5
         MAX_SCF 900
      &END
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 10 10 10
      PERIODIC NONE
    &END CELL
    &COORD
      C -0.000001   -1.540826   -0.000000
      H  1.041396   -1.871752   -0.000000
      H -0.520681   -1.871772    0.901873
      H -0.520681   -1.871772   -0.901873
      Br -0.000001    0.424579    0.000000
      Xe -0.000000   3.0   -0.000000
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT  CH3Br-Xe
  PRINT_LEVEL LOW
  RUN_TYPE ENERGY
&END GLOBAL
