anchor.diff:  
   ! x(1) corresponds to the first harmonic oscillator pseudo-frequency
     ind(1) = 3        ! Has both an upper and lower bound
  -  bl(1)  = 400.     ! Lower bound is 400 cm^-1
  +  bl(1)  = 180.     ! Lower bound is 180 cm^-1
     bu(1)  = 4000.    ! Upper bound is 4000 cm^-1
   
   ! x(2) corresponds to the second harmonic oscillator pseudo-frequency
     ind(2) = 3        ! Has both an upper and lower bound
  -  bl(2)  = 400.     ! Lower bound is 400 cm^-1
  +  bl(2)  = 180.     ! Lower bound is 180 cm^-1
     bu(2)  = 4000.    ! Upper bound is 4000 cm^-1
   
   ! x(3) corresponds to the third harmonic oscillator pseudo-frequency
     ind(3) = 3        ! Has both an upper and lower bound
  -  bl(3)  = 400.     ! Lower bound is 400 cm^-1
  +  bl(3)  = 180.     ! Lower bound is 180 cm^-1
     bu(3)  = 4000.    ! Upper bound is 4000 cm^-1
   
   ! x(4) corresponds to the first hindered rotor pseudo-barrier
  
positive.code: 
  ! x(6) corresponds to the first harmonic oscillator pseudo-frequency
    ind(6) = 3        ! Has both an upper and lower bound
    bl(6)  = 400.     ! Lower bound is 400 cm^-1
    bu(6)  = 4000.    ! Upper bound is 4000 cm^-1
  
  !  Define the initial guess for the solution
  !  Note that the two pseudo-frequencies should be different so that the
  !  Jacobian of x(1) is not automatically zero
    x(1) = 1000.0      ! First hind. rot. pseudo-barrier: 1000 cm^-1
    x(2) = 150.0      ! First hind. rot osc. frequency: 150 cm^-1
    x(3) = floor(REAL(N_rot)/2.) -1.! Hind. rot. degen.:  1/2 the # of hind. rot.
    x(4) = 500.0      ! second hind. rot. pseudo-barrier: 500 cm^-1
    x(5) = 1500.0     ! third hind. rot. pseudo-barrier: 1500 cm^-1
    x(6) = 1200.0      ! First harm. osc.: 1200 cm^-1
  
  !  Tell how much storage we gave the solver.
    iwork(1) = lwork
  
negative.code: !  Note that the two pseudo-frequencies should be different so that the
  !  Jacobian of x(1) is not automatically zero
    x(1) = floor(REAL(N_vib)/2.) !Harm. osc. degen.:  1/2 the # of unknown osc
    x(2) = 300.0      ! First harm. osc. pseudo-frequency: 500 cm^-1
    x(3) = 3000.0     ! Second harm. osc. pseudo-frequency: 1500 cm^-1
    x(4) = floor(REAL(N_rot)/2.) ! Hind. rot. degen.:  1/2 the # of hind. rot.
    x(5) = 500.0      ! First hind. rot. pseudo-barrier: 500 cm^-1
    x(6) = 4000.0     ! Second hind. rot. pseudo-barrier: 1500 cm^-1
  
  !  Tell how much storage we gave the solver.
    iwork(1) = lwork
  