&GLOBAL
  PRINT_LEVEL low
  PROJECT argon_dimer_molden_read
  RUN_TYPE GEO_OPT
&END GLOBAL

#CPQA DEPENDS argon_vib_molden_write.inp
&MOTION
  &GEO_OPT
    MAX_ITER 6
    OPTIMIZER CG
    TYPE TRANSITION_STATE
    &CG
      &LINE_SEARCH
        TYPE 2PNT
      &END LINE_SEARCH
    &END CG
    &TRANSITION_STATE
      METHOD DIMER
      &DIMER
        ANGLE_TOLERANCE [deg] 2.0
        INITIALIZATION_METHOD MOLDEN
        VIB_INDEX 1
        VIB_MOLDEN_NAME argon_vib_molden_write-VIBRATIONS-1.mol
        VIB_WEIGHT 1.00
        &ROT_OPT
          OPTIMIZER CG
          &CG
            &LINE_SEARCH
              TYPE 2PNT
            &END LINE_SEARCH
          &END CG
        &END ROT_OPT
      &END DIMER
    &END TRANSITION_STATE
  &END GEO_OPT
  &PRINT
    &RESTART OFF
    &END RESTART
    &TRAJECTORY ON
      FORMAT EXTXYZ
    &END TRAJECTORY
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM Ar
        CHARGE 0.0
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS Ar Ar
          EPSILON 119.8
          RCUT 11.66
          SIGMA 3.405
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_ACCURACY 500.0
        EMAX_SPLINE 1000.0
        EPS_SPLINE 1.0E-9
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE none
      &END EWALD
    &END POISSON
    &PRINT
      &FF_INFO
      &END FF_INFO
    &END PRINT
  &END MM
  &SUBSYS
    &CELL
      ABC 13.9057 12.9595 13.9676
    &END CELL
    &COORD
      Ar                 8.75404000    7.58124000    3.09502000
      Ar                 5.47128000    5.68592000    3.09502000
      Ar                 7.65982000    5.68592000    6.19005000
      Ar                 7.65982000    9.47654000    6.19005000
      Ar                 4.37703000    7.58124000    6.19005000
    &END COORD
    &TOPOLOGY
      CONNECTIVITY OFF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
