&GLOBAL
  PROJECT O2-ROKS
  RUN_TYPE GEO_OPT
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
 &GEO_OPT
  OPTIMIZER BFGS
  MAX_ITER  30
  MAX_DR    0.001
  RMS_DR    0.0005
  MAX_FORCE 0.00015
  RMS_FORCE 0.0001
 &END GEO_OPT
 &PRINT
   &STRUCTURE_DATA
     DISTANCE 1 2
   &END STRUCTURE_DATA
 &END
&END MOTION
&FORCE_EVAL
  METHOD Quickstep
  &DFT
    ROKS
    MULTIP 3
    &QS
      METHOD MNDO
      &SE
       
      &END
    &END QS
    &SCF
      EPS_SCF 1.0E-6
      SCF_GUESS atomic
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      O     0.000000     0.000000    -0.600000
      O     0.000000     0.000000     0.600000
    &END COORD
    &PRINT
      &STRUCTURE_DATA
        DISTANCE 1 2
      &END STRUCTURE_DATA
      &KINDS
        BASIS_SET
        POTENTIAL
      &END KINDS
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
