&GLOBAL
  PROJECT ethane_TS_va
  RUN_TYPE NORMAL_MODES
  PRINT_LEVEL MEDIUM
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep              ! Electronic structure method (DFT,...)
  &DFT
    BASIS_SET_FILE_NAME  BASIS_MOLOPT
    POTENTIAL_FILE_NAME  POTENTIAL

    &POISSON                    ! Solver requested for non periodic calculations
      PERIODIC XYZ
    &END POISSON
    &SCF                        ! Parameters controlling the convergence of the scf. This section should not be changed. 
      SCF_GUESS ATOMIC
      EPS_SCF 1.0E-7
      MAX_SCF 300
    &END SCF
    &XC                        ! Parametes needed to compute the electronic exchange potential 
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
    &END XC
  &END DFT

  &SUBSYS
    &CELL
      ABC 12. 12. 12.
      PERIODIC XYZ
    &END CELL
    &TOPOLOGY                    ! Section used to center the atomic coordinates in the given box. Useful for big molecules
      &CENTER_COORDINATES
      &END
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME  ./ethane_neb_aba_TS.xyz
    &END
    &KIND H
      ELEMENT H
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q1
    &END KIND
    &KIND C
      ELEMENT C
      BASIS_SET DZVP-MOLOPT-GTH
      POTENTIAL GTH-PBE-q4
    &END KIND
  &END SUBSYS
&END FORCE_EVAL

&VIBRATIONAL_ANALYSIS
  NPROC_REP 1
  DX 0.01
  FULLY_PERIODIC
  &PRINT
    &MOLDEN_VIB
    &END
    &CARTESIAN_EIGS
    &END
    &PROGRAM_RUN_INFO
      &EACH
        REPLICA_EVAL 1
      &END
    &END
  &END
&END