 **********************************************************************

             Second-order Perturbative Anharmonic Analysis

 **********************************************************************

     ==================================================
                      Reference System
     ==================================================

 NOTE: The system is set in Eckart orientation for the anharmonic
       treatment.
 
 Atom           X                  Y                  Z
 ----------------------------------------------------------------
  C      -0.0000000000000   -0.0000000000000    0.0000000000000
  O       0.0000000000000    0.0000000000000    1.1603755640784
  O      -0.0000000000000    0.0000000000000   -1.1603755640784
 ----------------------------------------------------------------

     ==================================================
               Analysis of the Rotor Symmetry
     ==================================================

 Framework Group : D*H 
 Rotor Type      : Linear Molecule
 Inertia moments : X=   153.81787 , Y=   153.81787 , Z=     0.00000
 Representation  : Ir Representation, Iz < Ix < Iy

 Axes Definition for the Symmetric-Top Representation
 ----------------------------------------------------
 Axis Z automatically chosen to be collinear with Z from Eckart orient.
 NOTE: In Vibro-rotational analysis, this will be referred to as the
       spectroscopic orientation.

     ==================================================
                   Data Source Definition
     ==================================================

 Main data sources
 -----------------
 Harmonic data taken from: current calculation
 Anharmonic data taken from: current calculation

     ==================================================
           Input Data Extraction and Preparation
     ==================================================

 Data for Harmonic Potential Energy Surface
 ------------------------------------------

 Definition of the model system: Active modes
 --------------------------------------------
 The 4 Active Modes are:
     1     2     3     4

 Data for Anharmonic Potential Energy Surface
 --------------------------------------------
 WARNING: Unreliable CUBIC force constant i=     1,j=     4,k=     4
 - Fjik and Fijk differ by   10.2%
 WARNING: Unreliable CUBIC force constant i=     1,j=     3,k=     4
 - Fjik is NULL while MEAN(Fijk,Fjik) =    111.37642352
 WARNING: Unreliable CUBIC force constant i=     1,j=     3,k=     3
 - Fjik and Fijk differ by  189.8%

 Data for Electric Dipole
 ------------------------
 Property available.
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     4
 - Pji(X) =     -0.00448759 while Pij(X) is NULL
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     4
 - Pji(Y) and Pij(Y) differ by   59.9%
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     4
 - Pji(Z) and Pij(Z) differ by   14.6%
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     3
 - Pji(X) and Pij(X) differ by  195.8%
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     3
 - Pji(Y) and Pij(Y) differ by  177.6%
 WARNING: Unreliable ELECTRIC DIPOLE derivatives i=     1,j=     3
 - Pji(Z) is NULL while Pij(Z) =     -0.01254252

     ==================================================
        Vibro-Rotational Analysis Based on Symmetry
     ==================================================

 Representation SGG 
 -------------------
    1 Vibrations with frequencies:
   1409.20

 Representation SGU 
 -------------------
    Z Translation
    1 Vibrations with frequencies:
   2526.46

 Representation PIG  (doubly degenerate)
 ---------------------------------------
    X Rotation
    Y Rotation
 No Vibration

 Representation PIU  (doubly degenerate)
 ---------------------------------------
    X Translation
    Y Translation
    1 Vibrations with frequencies:
    462.62

 Input/Output information
 ------------------------
 Normal modes will be PRINTED in DESCENDING order (imag. freq. first)
   and sorted by irreducible representation
 The connection between this new numbering (A) and the one used before
   (H) is reported in the present equivalency table:
 ----+------+------+------+------+
 (H) |     1|     2|     3|     4|
 (A) |    3a|    3b|     1|     2|
 ----+------+------+------+------+
 NOTE: Degenerate modes are referenced by the same number in the following

 Normal modes will be READ in ASCENDING order (imag. freq. first)

 TIP: To use the same numbering as in the whole output, use the option
      "Print=NMOrder=AscNoIrrep" in the "ReadAnharm section"

 TIP: To use the same numbering for reading and printing, use the option
      "DataSrc=NMOrder=Print" in the "ReadAnharm section"
 WARNING: Symmetry operations not available for non-Abelian groups.

     ==================================================
     Symm. Relations between Property/Energy derivativ.
     ==================================================

 Cut-offs for symmetry
 ---------------------
 - zero on 3rd derivs.:  .50000D-03 attoJoule
 - zero on 4th derivs.:  .50000D-03
 - diff on 3rd derivs.:    2.0 %
 - diff on 4th derivs.:    2.0

 Legend:
 -------
 i       : non-degenerate mode
 s,t,u   : degenerate modes.
           1,2 are appended to individuate modes with same degen. freq.
           NOTE: 1,2 are replace by letters a,b in the actual test
 F3      : cubic force constants
 F4      : quartic force constants
 D1+     : first electric dipole derivatives
 D2+     : second electric dipole derivatives
 D3+     : third electric dipole derivatives
           + = x, y or z

 Nonvanishing terms and symmetry relations
 -----------------------------------------
 All terms non present in the table and function of at least 1
   degenerate mode are null.
 The first 3 columns specify the irreducible representation for which
   the rule(s) in 5th column are applicable. "*" specifies any
   representation.
 The 4th column specifies the roman numerals attribuited to each
   different force.
 Values are non-null only if derivatives are wrt an even num. of
   normal modes with U symmetry. G/U subscripts will be dropped here.

  s |    |    |       | RULE
  * |    |    | I     | F4(s1,s1,s1,s1)=F4(s2,s2,s2,s2)=3F4(s1,s1,s2,s2)
 ---+----+----+------+--------------------------------------------------
  i |  s |    |       | RULE
  * |  * |    | I     | F3(i,s1,s1)=F3(i,s2,s2)
  * |  * |    |       | F4(i,i,s1,s1)=F4(i,i,s2,s2)
 ---+----+----+------+--------------------------------------------------
  s |  t |    |       | RULE
  * |  * |    | II    | F4(s1,s1,t1,t1)=F4(s2,s2,t2,t2)
  * |  * |    | III   | F4(s1,s1,t2,t2)=F4(s2,s2,t1,t1)
 ---+----+----+------+--------------------------------------------------
  i |  s |  t |       | RULE
  * |  * |  * | I     | F3(i,s1,t1)=F3(i,s2,t2)
 ---+----+----+------+--------------------------------------------------
  s |  t |  u |       | RULE

 Analysis of symmetry relations in cubic force constants
 -------------------------------------------------------
  F(    3a,    3a,    1 ) & F(    3b,    3b,    1 ): Diff.:  94.6%
  F(    3a,    3b,    1 ) not NULL

 Total of errors found:   2

 Analysis of symmetry relations in quartic force constants
 ---------------------------------------------------------
  F(    3a,    3a,    3a,    3a) & F(    3a,    3a,    3b,    3b): Diff.:  37.3%
  F(    3a,    3a,    3b,    3b) & F(    3b,    3b,    3b,    3b): Diff.:  37.3%
  F(    3a,    3a,    3a,    3b) not NULL
  F(    3a,    3b,    3b,    3b) not NULL

 Total of errors found:   4

 WARNING: Anharmonic treatment of linear tops is experimental.
          Moreover, an hybrid treatment is used to simulate spectra:
          - Energy: equations including degenerate modes are used.
          - Intensity: summation done on N' modes, considering only one mode
            per couple of degenerate modes. No variational correction done.

     ==================================================
                   Coriolis Couplings
     ==================================================

 Coriolis Couplings along the X axis
 -----------------------------------
                1             2             3a            3b
      1   0.000000D+00
      2   0.000000D+00  0.000000D+00
      3a  0.000000D+00  0.735077D+00  0.000000D+00
      3b  0.000000D+00 -0.677983D+00  0.000000D+00  0.000000D+00

 Coriolis Couplings along the Y axis
 -----------------------------------
                1             2             3a            3b
      1   0.000000D+00
      2   0.000000D+00  0.000000D+00
      3a  0.000000D+00 -0.677983D+00  0.000000D+00
      3b  0.000000D+00 -0.735077D+00  0.000000D+00  0.000000D+00

 Coriolis Couplings along the Z axis
 -----------------------------------
                1             2             3a            3b
      1   0.000000D+00
      2   0.000000D+00  0.000000D+00
      3a  0.000000D+00  0.000000D+00  0.000000D+00
      3b  0.000000D+00  0.000000D+00  0.100000D+01  0.000000D+00

    2 Coriolis couplings larger than .100D-02 along the X axis
    2 Coriolis couplings larger than .100D-02 along the Y axis
    1 Coriolis couplings larger than .100D-02 along the Z axis

     ==================================================
     Printing Energy derivatives and Coriolis Couplings
     ==================================================

 ........................................................
 :   Reference Energy (a.u.):       -0.188497D+03       :
 :                    (cm-1):       -0.858857D-03       :
 :......................................................:

 ........................................................
 :             GRADIENT IN NORMAL MODES                 :
 :                                                      :
 : FI =  Reduced values [cm-1]  (default input)         :
 : k  =  Gradient [AttoJ*amu(-1/2)*Ang(-1)]             :
 : K  =  Gradient [Hartree*amu(-1/2)*Bohr(-1)]          :
 :......................................................:

      I                          FI(I)         k(I)         K(I)

     1                         1293.36602      0.16610      0.02016

 Num. of 1st derivatives larger than  0.371D-02: 1 over 4

 ........................................................
 :                   CORIOLIS COUPLINGS                 :
 :......................................................:

    Ax       I      J          Zeta(I,J)

     x      3a     2              0.73508
     x      3b     2             -0.67798
     y      3a     2             -0.67798
     y      3b     2             -0.73508
     z      3a     3b             1.00000

 Num. of Coriolis couplings larger than  0.100D-02: 5 over 30

 ........................................................
 :      QUADRATIC FORCE CONSTANTS IN NORMAL MODES       :
 :                                                      :
 : FI =  Frequency [cm-1]                               :
 : k  =  Force Const.[ attoJ * amu(-1) * ang(-2) ]      :
 : K  =  Force Const.[ Hartrees * amu(-1) * bohr(-2) ]  :
 :......................................................:

      I      J                  FI(I,J)       k(I,J)       K(I,J)

     1      1                  1409.20235      1.17003      0.07515
     2      2                  2526.46159      3.76076      0.24156
     3a     3a                  462.61566      0.12609      0.00810
     3b     3b                  462.61566      0.12609      0.00810

 Num. of 2nd derivatives larger than  0.371D-04: 4 over 10

 ........................................................
 :        CUBIC FORCE CONSTANTS IN NORMAL MODES         :
 :                                                      :
 : FI =  Reduced values [cm-1]  (default input)         :
 : k  =  Cubic Force Const.[AttoJ*amu(-3/2)*Ang(-3)]    :
 : K  =  Cubic Force Const.[Hartree*amu(-3/2)*Bohr(-3)] :
 :......................................................:

      I      J      K          FI(I,J,K)     k(I,J,K)     K(I,J,K)

     1      1      1           -260.36071     -1.39757     -0.04750
     2      2      1           -498.94440     -4.80163     -0.16320
     3a     3a     1            239.87769      0.42270      0.01437
     3a     3b     1             74.25095      0.13084      0.00445
     3b     3b     1             12.93985      0.02280      0.00078

 Num. of 3rd derivatives larger than  0.371D-04: 5 over 20

 ........................................................
 :                                                      :
 :       QUARTIC FORCE CONSTANTS IN NORMAL MODES        :
 :                                                      :
 : FI =  Reduced values [cm-1]  (default input)         :
 : k  =  Quartic Force Const.[AttoJ*amu(-2)*Ang(-4)]    :
 : K  =  Quartic Force Const.[Hartree*amu(-2)*Bohr(-4)] :
 :......................................................:

      I      J      K      L  FI(I,J,K,L)   k(I,J,K,L)   K(I,J,K,L)

     1      1      1      1      40.39063      1.40169      0.02521
     2      2      1      1      79.08068      4.92017      0.08850
     2      2      2      2     154.78015     17.26491      0.31053
     3a     3a     1      1     -67.10879     -0.76453     -0.01375
     3b     3b     1      1     -67.10879     -0.76453     -0.01375
     3a     3a     2      2    -163.29426     -3.33524     -0.05999
     3b     3b     2      2    -163.29426     -3.33524     -0.05999
     3a     3a     3a     3a    220.54851      0.82484      0.01484
     3a     3a     3a     3b     66.77089      0.24972      0.00449
     3a     3a     3b     3b    117.26759      0.43857      0.00789
     3a     3b     3b     3b    -66.77088     -0.24972     -0.00449
     3b     3b     3b     3b    220.54851      0.82484      0.01484

 Num. of 4th derivatives larger than  0.371D-04: 12 over 35

     ==================================================
                     Input for POLYMODE
     ==================================================

 ***************** cut here for POLYMODE input *****************
  4,  1,  4,  5, 12,  0,  5,  5,  0
SCF-CI
          Input generated by DiNa
  1, 1,  0.222148D-05 /
  2, 2,  0.222148D-05 /
  3, 3,  0.206133D-04 /
  4, 4,  0.662562D-04 /
  1, 1, 3, 0.923009D-07 /
  1, 2, 3, 0.571410D-07 /
  2, 2, 3, 0.497904D-08 /
  3, 3, 3, -.101724D-06 /
  3, 4, 4, -.104848D-05 /
  1, 1, 1, 1, 0.186029D-09 /
  1, 1, 2, 2, 0.593479D-09 /
  1, 2, 2, 2, -.225280D-09 /
  2, 2, 2, 2, 0.186029D-09 /
  1, 1, 3, 3, -.103457D-08 /
  2, 2, 3, 3, -.103457D-08 /
  3, 3, 3, 3, 0.316128D-09 /
  1, 1, 4, 4, -.451327D-08 /
  2, 2, 4, 4, -.451327D-08 /
  3, 3, 4, 4, 0.665799D-08 /
  4, 4, 4, 4, 0.389383D-08 /
 0.280393D+06,0.280393D+06,0.764714D-27 /
  4, 5, 1, -.735077D+00 /
  4, 5, 2, 0.677983D+00 /
  4, 5, 1, 0.677983D+00 /
  4, 5, 2, 0.735077D+00 /
  2, 5, 1, -.100000D+01 /
 ***************** cut here for POLYMODE input *****************

     ==================================================
      Inertia Moments Derivatives w.r.t. Normal Modes
     ==================================================

 Units: amu^1/2.Ang

                 Ixx        Ixy        Iyy        Ixz        Iyz        Izz
 Q(     1)    13.12606   -0.00000   13.12606    0.00000    0.00000    0.00000
 Q(     2)    -0.00000   -0.00000   -0.00000    0.00000    0.00000    0.00000
 Q(    3a)     0.00000   -0.00000    0.00000   -0.00000    0.00000    0.00000
 Q(    3b)    -0.00000   -0.00000   -0.00000    0.00000   -0.00000   -0.00000

     ==================================================
               Vibro-rotational Alpha Matrix
     ==================================================

 Vibro-Rot alpha Matrix (in cm^-1)
 ---------------------------------
                 A(z)           B(x)           C(y)
 Q(     1)       -0.00000       -0.00042       -0.00042
 Q(     2)       -0.00000        0.00283        0.00283
 Q(     3)       -0.00000       -0.00119       -0.00119

 Vibro-Rot alpha Matrix (in MHz)
 -------------------------------
                 A(z)           B(x)           C(y)
 Q(     1)       -0.00000      -12.62820      -12.62820
 Q(     2)       -0.00000       84.95659       84.95659
 Q(     3)       -0.00000      -35.76684      -35.76684

     ==================================================
          Quartic Centrifugal Distortion Constants
     ==================================================

 NOTE: Values in Cartesian coords. refer to the structure in Eckart orientation.

 Quartic Centrifugal Distortion Constants Tau Prime
 --------------------------------------------------
                      cm^-1                    MHz
 TauP aaaa      0.0000000000D+00         0.0000000000D+00
 TauP bbaa      0.0000000000D+00         0.0000000000D+00
 TauP bbbb     -0.4829871082D-06        -0.1447958924D-01
 cm-1                       MHz
 De    0.1207467771D-06         0.3619897309D-02

     ==================================================
           Sextic Centrifugal Distortion Constants
     ==================================================

 Sextic Distortion Constants
 ---------------------------
                       in cm-1                  in Hz
 Phi aaa         0.6952638225-309         0.0000000000D+00
 Phi aab         0.6912151947-309         0.0000000000D+00
 Phi abb         0.6952638225-309         0.0000000000D+00
 Phi bbb         0.1441264505D-13         0.4320802284D-03

 Linear molecule
 ---------------
                       cm^-1                    Hz
 He               0.1441264505D-13         0.4320802284D-03

     ==================================================
            Rotational l-type doubling constants
     ==================================================
 Ref.: J.K.G. Watson, J. Mol. Spectry. 101, 83 (1983)
       q_i = q_i^e + (q_i^J)*J(J+1) + (q_i^K)*K(K+-1)^2

 q^e constants (in cm^-1)
 ------------------------

 Q(     3)    0.7540834247D-03

 q^J constants (in cm^-1)
 ------------------------

 Q(     3)   -0.2146424661D-08

 q^K constants (in cm^-1)
 ------------------------

 Q(     3)    0.2052013033D-08

     ==================================================
                     Resonance Analysis
     ==================================================

 Thresholds
 ----------
 1-2 Fermi resonances:
     - Maximum Frequency difference (cm^-1)          :    200.000
     - Minimum Difference PT2 vs Variational (cm^-1) :      1.000
 2-2 Darling-Dennison resonances:
     - Maximum Frequency difference (cm^-1)          :    100.000
     - Minimum value of off-diagonal term (cm^-1)    :     10.000
 1-1 Darling-Dennison resonances:
     - Maximum Frequency difference (cm^-1)          :    100.000
     - Minimum value of off-diagonal term (cm^-1)    :     10.000

 Fermi resonances
 ----------------
  No Fermi resonance found

 Darling-Dennison resonances
 ---------------------------
  No 2-2 Darling-Dennison resonance found
  No 1-1 Darling-Dennison resonance found

     ==================================================
                     Anharmonic X Matrix
     ==================================================

 PT2 model: Deperturbed VPT2 (DVPT2)
 Ref.: V. Barone, J. Chem. Phys. 122, 1, 014108 (2005)

 Coriolis contributions to X Matrix (in cm^-1)
 ---------------------------------------------
                1             2             3
      1  0.000000D+00
      2  0.000000D+00  0.000000D+00
      3  0.000000D+00  0.220903D+01  0.000000D+00

 3rd Deriv. contributions to X Matrix (in cm^-1)
 -----------------------------------------------
                1             2             3
      1 -0.501079D+01
      2 -0.364016D+02 -0.211509D+02
      3  0.239892D+02  0.212329D+02 -0.100492D+02

 4th Deriv. contributions to X Matrix (in cm^-1)
 -----------------------------------------------
                1             2             3
      1  0.252441D+01
      2  0.197702D+02  0.967376D+01
      3 -0.167772D+02 -0.408236D+02  0.158351D+02

 Total Anharmonic X Matrix (in cm^-1)
 ------------------------------------
                1             2             3
      1 -0.248638D+01
      2 -0.166315D+02 -0.114772D+02
      3  0.721199D+01 -0.173817D+02  0.578593D+01

     ==================================================
                    Anharmonic Xl Matrix
     ==================================================

 Scheme used to remove resonant terms is the same as for the X matrix.

 Total Anharmonic Xl Matrix (in cm^-1)
 ------------------------------------
                3
      3 -0.371664D+00

     ==================================================
          Vibrational U- l-type doubling constants
     ==================================================

 Scheme used to remove resonant terms is the same as for the X matrix.

 Total matrix of U- l-type doubling constants (in cm^-1)
 --------------------------------------------------------
   Mode       Real part       Imag. part
     3    -0.795717D+00    -0.208659D+01

     ==================================================
                Anharmonic Zero Point Energy
     ==================================================

 Anharmonic X0 Term
 ------------------
 U term         : cm-1 =     0.00000 ; Kcal/mol =   0.000 ; KJ/mol =   0.000
 Coriolis       : cm-1 =    -0.39137 ; Kcal/mol =  -0.001 ; KJ/mol =  -0.005
 Anharmonic     : cm-1 =     3.55583 ; Kcal/mol =   0.010 ; KJ/mol =   0.043
 Total X0       : cm-1 =     3.16446 ; Kcal/mol =   0.009 ; KJ/mol =   0.038

 Anharmonic Zero Point Energy
 ----------------------------
 Harmonic       : cm-1 =  2430.44763 ; Kcal/mol =   6.949 ; KJ/mol =  29.075
 Anharmonic Pot.: cm-1 =    -4.49635 ; Kcal/mol =  -0.013 ; KJ/mol =  -0.054
 Watson+Coriolis: cm-1 =     0.71315 ; Kcal/mol =   0.002 ; KJ/mol =   0.009
 Total Anharm   : cm-1 =  2426.66443 ; Kcal/mol =   6.938 ; KJ/mol =  29.029

     ==================================================
          Vibrational Energies at Anharmonic Level
     ==================================================

 Units: Vibrational energies and rotational constants in cm^-1.
 NOTE: Transition energies are given with respect to the ground state.

 Reference Data
 --------------
                              E(harm)  E(anharm)     Ba(x)      Ca(y)
 Equilibrium Geometry                              0.391370   0.391370
 Ground State                 2430.448  2426.664   0.391357   0.391357

 Fundamental Bands
 -----------------
    Mode(n,l)    Status       E(harm)  E(anharm)     Ba(x)      Ca(y)
       1(1,+0)   active      1409.202  1403.126   0.391778   0.391778
       2(1,+0)   active      2526.462  2477.810   0.388523   0.388523
       3(1,-1)   active       462.616   474.517   0.392550   0.392550
       3(1,+1)   active       462.616   474.517   0.392550   0.392550

 Overtones
 ---------
    Mode(n,l)                 E(harm)  E(anharm)     Ba(x)      Ca(y)
       1(2,+0)               2818.405  2801.279   0.392199   0.392199
       2(2,+0)               5052.923  4932.665   0.385689   0.385689
       3(2,-2)                925.231   959.862   0.393743   0.393743
       3(2,+0)                925.231   961.349   0.393743   0.393743
       3(2,+2)                925.231   959.862   0.393743   0.393743

 Combination Bands
 -----------------
    Mode(n,l)   Mode(n,l)    E(harm)  E(anharm)     Ba(x)      Ca(y)
       2(1,+0)     1(1,+0)   3935.664  3864.304   0.388944   0.388944
       3(1,-1)     1(1,+0)   1871.818  1884.855   0.392971   0.392971
       3(1,+1)     1(1,+0)   1871.818  1884.855   0.392971   0.392971
       3(1,-1)     2(1,+0)   2989.077  2934.945   0.389716   0.389716
       3(1,+1)     2(1,+0)   2989.077  2934.945   0.389716   0.389716

 WARNING: Anharmonic transition moments for symmetric and linear tops
          are not yet fully implemented.

     ==================================================
               Anharmonic Transition Moments
     ==================================================

 Electric dipole : Fundamental Bands
 ------------------------------------------------------------------------
   Mode(n,l)                          X               Y               Z
      1(1)                       0.866468D-15    0.260683D-14   -0.266312D-13
      2(1)                      -0.481028D-05   -0.638463D-05    0.110028D+00
      3(1)                      -0.401185D-01   -0.436800D-01    0.641128D-05

 Electric dipole : Overtones
 ------------------------------------------------------------------------
   Mode(n,l)                          X               Y               Z
      1(2)                      -0.702008D-16    0.937072D-16   -0.335019D-12
      2(2)                      -0.919061D-16   -0.412226D-16    0.200899D-13
      3(2)                       0.928106D-14    0.246748D-13   -0.290219D-13

 Electric dipole : Combination Bands
 ------------------------------------------------------------------------
   Mode(n,l)   Mode(n,l)              X               Y               Z
      2(1)        1(1)          -0.438349D-15    0.177350D-15   -0.148996D-01
      3(1)        1(1)           0.515704D-03   -0.403108D-04    0.584594D-13
      3(1)        2(1)          -0.111288D-12   -0.123347D-12   -0.120623D-13

     ==================================================
              Anharmonic Infrared Spectroscopy
     ==================================================

 Units: Transition energies (E) in cm^-1
        Integrated intensity (I) in km.mol^-1

 Fundamental Bands
 -----------------
   Mode(n,l)                E(harm)   E(anharm)        I(harm)       I(anharm)
      1(1,+0)               1409.202   1403.126      0.00000000      0.00000000
      2(1,+0)               2526.462   2477.810    510.04230420    485.77031571
      3(1,-1)                462.616    474.517     26.94443649     27.02931874
      3(1,+1)                462.616    474.517     26.94443649     27.02931874

 Overtones
 ---------
   Mode(n,l)                E(harm)   E(anharm)                      I(anharm)
      1(2,+0)               2818.405   2801.279                      0.00000000
      2(2,+0)               5052.923   4932.665                      0.00000000
      3(2,-2)                925.231    959.862                      0.00000000
      3(2,+0)                925.231    961.349                      0.00000000
      3(2,+2)                925.231    959.862                      0.00000000

 Combination Bands
 -----------------
   Mode(n,l)   Mode(n,l)    E(harm)   E(anharm)                      I(anharm)
      2(1,+0)     1(1,+0)   3935.664   3864.304                     13.89249309
      3(1,-1)     1(1,+0)   1871.818   1884.855                      0.00816734
      3(1,+1)     1(1,+0)   1871.818   1884.855                      0.00816734
      3(1,-1)     2(1,+0)   2989.077   2934.945                      0.00000000
      3(1,+1)     2(1,+0)   2989.077   2934.945                      0.00000000

 Units: Transition energies (E) in cm^-1
        Dipole strengths (DS) in 10^-40 esu^2.cm^2

 Fundamental Bands
 -----------------
   Mode(n,l)                E(harm)   E(anharm)       DS(harm)      DS(anharm)
      1(1,+0)               1409.202   1403.126      0.00000000      0.00000000
      2(1,+0)               2526.462   2477.810    805.38011523    782.11462031
      3(1,-1)                462.616    474.517    232.35722407    227.24313678
      3(1,+1)                462.616    474.517    232.35722407    227.24313678

 Overtones
 ---------
   Mode(n,l)                E(harm)   E(anharm)                     DS(anharm)
      1(2,+0)               2818.405   2801.279                      0.00000000
      2(2,+0)               5052.923   4932.665                      0.00000000
      3(2,-2)                925.231    959.862                      0.00000000
      3(2,+0)                925.231    961.349                      0.00000000
      3(2,+2)                925.231    959.862                      0.00000000

 Combination Bands
 -----------------
   Mode(n,l)   Mode(n,l)    E(harm)   E(anharm)                     DS(anharm)
      2(1,+0)     1(1,+0)   3935.664   3864.304                     14.34221677
      3(1,-1)     1(1,+0)   1871.818   1884.855                      0.01728663
      3(1,+1)     1(1,+0)   1871.818   1884.855                      0.01728663
      3(1,-1)     2(1,+0)   2989.077   2934.945                      0.00000000
      3(1,+1)     2(1,+0)   2989.077   2934.945                      0.00000000

