anchor.diff:                                                     1190.0, 1240.0,  &
                                                       400.0,  500.0   /)
   
  -  REAL(8), DIMENSION(10)  :: RsCH2r_typ_freq   = (/ 3000.0, 3100.0,  &
  +  REAL(8), DIMENSION(8)  :: RsCH2r_typ_freq   = (/ 3000.0, 3100.0,  &
                                                       415.0,  465.0,  &
                                                       780.0,  850.0,  &
  -                                                   1435.0, 1475.0,  &
  -                                                    800.0, 1000.0   /)
  +                                                   1435.0, 1475.0   /)
   
     REAL(8), DIMENSION(6)  :: RdCHr_typ_freq    = (/ 3115.0, 3125.0,  &
                                                       620.0,  680.0,  &
  
positive.code: !  BEGIN calculating the characteristic frequencies
  !------------------------------------------------------------------------------
  
    CALL  Bond_avg_9x3_2_1(RsCH3,  RsCH3_typ_freq, RsCH3_pred_freq)
    CALL  Bond_avg_5x2_1(RdCH2,  RdCH2_typ_freq, RdCH2_pred_freq)
    CALL  Bond_avg_3x2_1(CtCH,  CtCH_typ_freq, CtCH_pred_freq)
    CALL  Bond_avg_7x2_1(RsCH2sR,  RsCH2sR_typ_freq, RsCH2sR_pred_freq)
  
negative.code:           Number_of_bonds, predicted_frequencies( (6*Number_of_bonds+1):(7*number_of_bonds) ) )
       call linspace(typical_frequencies(9),typical_frequencies(10), &
            Number_of_bonds, predicted_frequencies( (7*Number_of_bonds+1):(8*number_of_bonds) ) )
  
       
    ENDIF
  
  END SUBROUTINE Bond_avg_8x3_2_1
  !-------------------------------------------------------------------------
  !------------------------------------------------------------------------------
  SUBROUTINE Bond_avg_5x2_1 (Number_of_bonds, & 
  