&GLOBAL
  PRINT_LEVEL LOW
  PROJECT NO2-ROKS
  RUN_TYPE GEO_OPT
&END GLOBAL

&MOTION
  &GEO_OPT
    MAX_DR 0.001
    MAX_FORCE 0.00015
    MAX_ITER 20
    OPTIMIZER BFGS
    RMS_DR 0.0005
    RMS_FORCE 0.0001
  &END GEO_OPT
  &PRINT
    &STRUCTURE_DATA
      ANGLE 2 1 3
      DISTANCE 1 2
      DISTANCE 1 3
    &END STRUCTURE_DATA
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    MULTIP 2
    ROKS
    &QS
      EXTRAPOLATION use_prev_p
      METHOD PM3
      &SE
        ANALYTICAL_GRADIENTS F
      &END SE
    &END QS
    &SCF
      EPS_SCF 1.0E-5
      SCF_GUESS atomic
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
      PERIODIC NONE
    &END CELL
    &COORD
      N     0.000000     0.000000     0.000000
      O     0.000000     0.000000     1.194550
      O     0.861442     0.000000    -0.827567
    &END COORD
    &PRINT
      &KINDS
        BASIS_SET
        POTENTIAL
      &END KINDS
      &STRUCTURE_DATA
        ANGLE 2 1 3
        DISTANCE 1 2
        DISTANCE 1 3
      &END STRUCTURE_DATA
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL
