&GLOBAL
  PROJECT c_5_O2
  RUN_TYPE ENERGY
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM6
      &SE
      &END SE
    &END QS
    &SCF
      MAX_SCF 0
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      #alpha O_2 & C2/m-C_{2h}^3 #12 & mC4 & Meier and Helmholdt, PRB 29, 1387 (1984)
      A 2.69450000 -1.71650000 0.00000000
      B 2.69450000 1.71650000 0.00000000
      C -3.41088214 0.00000000 3.75245573
    &END CELL
    &COORD
      SCALED
      O   0.10500000  0.10500000  0.17100000    -0.01741585  0.00000000  0.64166993
      O  -0.10500000 -0.10500000 -0.17100000     0.01741585  0.00000000 -0.64166993
    &END COORD
    &PRINT
      &SYMMETRY
        CHECK_SYMMETRY 2/m
      &END SYMMETRY
    &END PRINT
  &END SUBSYS
&END FORCE_EVAL