anchor.diff:  !  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) = 800.0      !First harm osc. frequency: 800 cm^-1
  -  x(2) = 1200.0      ! Second harm osc. frequency: 1200 cm^-1
  +  x(1) = 300.0      !First harm osc. frequency: 800 cm^-1
  +  x(2) = 3000.0      ! Second harm osc. frequency: 1200 cm^-1
     x(3) = floor(REAL(N_rot)/2.)! Hind. rot. degen.:  1/2 the # of hind. rot.
     x(4) = 1000.0      ! First hind. rot. pseudo-barrier: 1000 cm^-1
     x(5) = 100.0     ! First hind. rot.osc. freq: 100 cm^-1
  -  x(6) = 2000.0      ! Second hind. rot. pseudo-barrier: 2000 cm^-1
  +  x(6) = 4000.0      ! Second hind. rot. pseudo-barrier: 2000 cm^-1
   
   !  Tell how much storage we gave the solver.
     iwork(1) = lwork
  
positive.code: !  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) = 500.0      ! First harm. osc. pseudo-frequency: 500 cm^-1
    x(2) = 1000.0      ! Second harm. osc. pseudo-frequency: 500 cm^-1
    x(3) = 1500.0     ! Third harm. osc. pseudo-frequency: 1500 cm^-1
    x(4) = 1000.0     ! First hind. rot. pseudo-barrier: 500 cm^-1
    x(5) = 100.0      ! First hind. rot. osc. freq. : 100 cm^-1
    x(6) = 2000.0     ! Second hind. rot. pseudo-barrier: 1500 cm^-1
  
negative.code: 
  ! x(5) corresponds to the second harmonic oscillator pseudo-frequency
    ind(5) = 3        ! Has both an upper and lower bound
    bl(5)  = 180.     ! Lower bound is 180 cm^-1
    bu(5)  = 4000.    ! Upper bound is 4000 cm^-1
  
  ! x(6) corresponds to the third harmonic oscillator pseudo-frequency
    ind(6) = 3        ! Has both an upper and lower bound
    bl(6)  = 180.     ! Lower bound is 180 cm^-1
    bu(6)  = 4000.    ! Upper bound is 4000 cm^-1
  
  !  Define the initial guess for the solution
    x(1) = 1200.0 !Barrier Height
    x(2) = 150.0 !Hind freq
    x(3) = 300.0 !Harm. Osc. Freq
    x(4) = FLOOR(REAL(N_vib)/2.) !Degeneracy
    x(5) = 1000.0 !Harm. Osc. Freq
    x(6) = 3000.0 !Harm. Osc. Freq
  
  !  Tell how much storage we gave the solver.
    iwork(1) = lwork
  