TIGHTCONV 1.0D-6 
SLOPPYCONV 1.0D-5
! We can either use PATHSAMPLE with FREEENERGY and set PLANCK to (h/kT in s) /(unit of time in s) = 1.5997D-13 s
! or omit FREEENERGY, leave PLANCK at default value of 1,
! and set vibrational column to 0 for ts and 2*Log[2*Pi*kToverh*time] = 62.60 for the minima. These formulations must agree.
! In the present example we set kT=1 below, so the free energies are dimensionless and in units of kT.
! So you set TEMPERATURE to 1.0D0 in pathdata.
! For kcal/mol at 300 K you would use kT=0.596 and use this value for TEMPERATURE in pathdata.
! next line specifies
! number of states, kT and h/kT 
RATESTOFREE 79 1.0D0 1.5997D-13
FREEZE 1
! CHECKD 1
SORT   
SAVE 10
EDIFF 0.003
MAXIT 600 500 
STEPS 10 1.0
TEMPERATURE 1.0
STEP 0.425 0.44
FIXSTEP

