&FORCE_EVAL
  METHOD Quickstep
  &DFT
    &QS
      METHOD PM3
      &SE
      &END SE
    &END QS
    &SCF
      MAX_SCF 50
      EPS_SCF 1.0E-5
      &OT ON
        MINIMIZER DIIS
        PRECONDITIONER NONE
      &END OT
    &END SCF
  &END DFT
  &SUBSYS
    &CELL
      ABC 15.0 15.0 15.0
      PERIODIC NONE
    &END CELL
    &COORD
C 	0.0000 	-1.4676 0.2307
C 	-1.2710 0.7338 	0.2307
C 	1.2710 	0.7338 	0.2307
C 	0.0000 	1.4676 	-0.2307
C 	-1.2710 -0.7338 -0.2307
C 	1.2710 	-0.7338 -0.2307
H 	0.0000 	-1.5309 1.3377
H 	-1.3258 0.7654 	1.3377
H 	1.3258 	0.7654 	1.3377
H 	0.0000 	1.5309 	-1.3377
H 	-1.3258 -0.7654 -1.3377
H 	1.3258 	-0.7654 -1.3377
H 	0.0000 	-2.5085 -0.1424
H 	-2.1724 1.2543 	-0.1424
H 	2.1724 	1.2543 	-0.1424
H 	0.0000 	2.5085 	0.1424
H 	-2.1724 -1.2543 0.1424
H 	2.1724 	-1.2543 0.1424
    &END COORD
       
# Cramer Pople Theta Parameter
    &COLVAR
      &COMBINE_COLVAR
        &COLVAR
          &RING_PUCKERING
              ATOMS 1 2 3 4 5 6
              COORDINATE      2
          &END RING_PUCKERING
        &END COLVAR
        &COLVAR
          &RING_PUCKERING
              ATOMS 1 2 3 4 5 6
              COORDINATE      3
          &END RING_PUCKERING
        &END COLVAR
        FUNCTION ATAN(CV1/CV2)*P
        PARAMETERS P
        VALUES 1.0
        VARIABLES CV1 CV2
        ERROR_LIMIT 1.0E-9
      &END
    &END

     
  &END SUBSYS
&END FORCE_EVAL
&MOTION
   &MD
      ENSEMBLE NVE
      STEPS 10
      TIMESTEP 0.3
      TEMPERATURE 300
      &PRINT
         &ENERGY
         &END ENERGY
      &END PRINT
   &END MD
  &FREE_ENERGY
    &METADYN
      DO_HILLS T
      NT_HILLS 1
      WW 5.0e-3
      &METAVAR
        SCALE 0.1
        COLVAR  1
      &END METAVAR
      &PRINT
       &COLVAR
        &EACH
          METADYNAMICS 1
        &END
        COMMON_ITERATION_LEVELS 10
       &END COLVAR
       &HILLS
        &EACH
          METADYNAMICS 1
        &END
        COMMON_ITERATION_LEVELS 10
       &END HILLS
      &END
    &END METADYN
  &END FREE_ENERGY
&END MOTION
&GLOBAL
  PROJECT colvar
   PRINT_LEVEL LOW
   PROGRAM CP2K
   RUN_TYPE md
   ECHO_INPUT
&END GLOBAL
