File: dvb_ir.out

package info (click to toggle)
cclib-data 1.6.2-2
links: PTS, VCS
area: non-free
in suites: bookworm, bullseye, sid
size: 87,912 kB
sloc: python: 16,440; sh: 131; makefile: 79; cpp: 31
file content (2655 lines) | stat: -rw-r--r-- 213,898 bytes
parent folder | download | duplicates (4)

 MPP nodes  nproc
 leo          1
 ga_uses_ma=false, calling ma_init with nominal heap.
 GA-space will be limited to   8.0 MW (determined by -G option)

 Primary working directories:    /scratch/langner
 Secondary working directories:  /scratch/langner
 
 CPU=
 ia64 1500.000000:1500.000000:1500.000000:1500.000000:1500.000000:1500.000000:15
 00.000000:1500.000000:1500.000000:1500.000000 MHz

 MPP tuning parameters: Latency=     0 Microseconds,   Broadcast speed=    0 MB/sec
 default implementation of scratch files=df  

  ***, divinylbenzene normal mode analysis
 basis=sto-3g
 geometry={angstrom;
 C,,     1.4163719978,        0.2355121874,        0.0000000000
 C,,     0.4890015094,        1.3144209166,        0.0000000000
 C,,    -0.8947801234,        1.0867269771,        0.0000000000
 C,,    -1.4163720294,       -0.2355123705,        0.0000000000
 C,,    -0.4890015794,       -1.3144210102,        0.0000000000
 C,,     0.8947802299,       -1.0867270423,        0.0000000000
 C,,     2.8841366364,        0.5340603619,        0.0000000000
 C,,    -2.8841366816,       -0.5340602541,        0.0000000000
 H,,     1.5818369242,       -1.9427803982,        0.0000000000
 H,,    -1.5818369485,        1.9427802557,        0.0000000000
 H,,     0.8701448970,        2.3449968145,        0.0000000000
 H,,    -0.8701450118,       -2.3449968779,        0.0000000000
 C,,     3.8854284299,       -0.3632773132,        0.0000000000
 C,,    -3.8854283949,        0.3632775240,        0.0000000000
 H,,     3.1308836661,        1.6066979605,        0.0000000000
 H,,    -3.1308838129,       -1.6066978140,        0.0000000000
 H,,    -4.9342673261,        0.0437742937,        0.0000000000
 H,,     4.9342673873,       -0.0437741237,        0.0000000000
 H,,    -3.7106041810,        1.4455140984,        0.0000000000
 H,,     3.7106044660,       -1.4455139314,        0.0000000000
 }
 ks,b3lyp;
 {freq;print,hessian}

 Variables initialized (517), CPU time= 0.00 sec
 Commands  initialized (293), CPU time= 0.02 sec, 436 directives.
 Default parameters read. Elapsed time= 0.07 sec
 Checking input...
 Passed
1


                                         ***  PROGRAM SYSTEM MOLPRO  ***
                         Copyright, University College Cardiff Consultants Limited, 2004

                                    Version 2006.1 linked 8 Jun 2007 12:11:55 


 **********************************************************************************************************************************
 LABEL *   divinylbenzene normal mode analysis                                           
 Linux-2.6.5-7.283-sn2/leo(ia64) 64 bit mpp version (ifort9.1/scs_i8)                    DATE:  11-Jun-07         TIME: 08:23:27  
 **********************************************************************************************************************************

 Patch level:      92
 **********************************************************************************************************************************

 Variable memory set to  200000000 words,  buffer space   230000 words
 
 SETTING BASIS          =    STO-3G


 Recomputing integrals since basis changed


 Using spherical harmonics

 Library entry C      S STO-3G               selected for orbital group  1
 Library entry C      P STO-3G               selected for orbital group  1
 Library entry H      S STO-3G               selected for orbital group  2

1PROGRAM * SEWARD (Integral evaluation for generally contracted gaussian basis sets)     Author: Roland Lindh, 1990

 Geometry written to block  1 of record 700


 Point group  C2h 



 ATOMIC COORDINATES

 NR  ATOM    CHARGE       X              Y              Z

   1  C       6.00    2.676555004    0.445053674    0.000000000
   2  C       6.00   -2.676555004   -0.445053674    0.000000000
   3  C       6.00    0.924078927    2.483895454    0.000000000
   4  C       6.00   -0.924078927   -2.483895454    0.000000000
   5  C       6.00   -1.690889354    2.053616273    0.000000000
   6  C       6.00    1.690889354   -2.053616273    0.000000000
   7  C       6.00    5.450227999    1.009227643    0.000000000
   8  C       6.00   -5.450227999   -1.009227643    0.000000000
   9  C       6.00    7.342395048   -0.686494779    0.000000000
  10  C       6.00   -7.342395048    0.686494779    0.000000000
  11  H       1.00    2.989238368   -3.671322474    0.000000000
  12  H       1.00   -2.989238368    3.671322474    0.000000000
  13  H       1.00    1.644335534    4.431401483    0.000000000
  14  H       1.00   -1.644335534   -4.431401483    0.000000000
  15  H       1.00    5.916512370    3.036218753    0.000000000
  16  H       1.00   -5.916512370   -3.036218753    0.000000000
  17  H       1.00   -9.324413259    0.082721260    0.000000000
  18  H       1.00    9.324413259   -0.082721260    0.000000000
  19  H       1.00   -7.012025423    2.731625401    0.000000000
  20  H       1.00    7.012025423   -2.731625401    0.000000000

 Bond lengths in Bohr (Angstrom)

 1-3  2.688502967  1-6  2.686054407  1-7  2.830468893  2-4  2.688502967  2-5  2.686054407
     (1.422694604)     (1.421398882)     (1.497819742)     (1.422694604)     (1.421398882)

  2- 8  2.830468893   3- 5  2.650131937   3-13  2.076427055   4- 6  2.650131937   4-14  2.076427055
       (1.497819742)       (1.402389528)       (1.098797956)       (1.402389528)       (1.098797956)

  5-12  2.074291088   6-11  2.074291088   7- 9  2.540820866   7-15  2.079931267   8-10  2.540820866
       (1.097667651)       (1.097667651)       (1.344544596)       (1.100652306)       (1.344544596)

  8-16  2.079931267   9-18  2.071940793   9-20  2.071642669  10-17  2.071940793  10-19  2.071642669
       (1.100652306)       (1.096423929)       (1.096266169)       (1.096423929)       (1.096266169)

 Bond angles

  1- 3- 5  121.33655069   1- 3-13  119.02328488   1- 6- 4  120.87203890   1- 6-11  119.72189484

  1- 7- 9  126.63663867   1- 7-15  114.45211469   2- 4- 6  121.33655069   2- 4-14  119.02328488

  2- 5- 3  120.87203890   2- 5-12  119.72189484   2- 8-10  126.63663867   2- 8-16  114.45211469

  3- 1- 6  117.79141041   3- 1- 7  119.18324005   3- 5-12  119.40606626   4- 2- 5  117.79141041

  4- 2- 8  119.18324005   4- 6-11  119.40606626   5- 2- 8  123.02534954   5- 3-13  119.64016443

  6- 1- 7  123.02534954   6- 4-14  119.64016443   7- 9-18  121.19185855   7- 9-20  122.68979456

  8-10-17  121.19185855   8-10-19  122.68979456   9- 7-15  118.91124664  10- 8-16  118.91124664

 17-10-19  116.11834690  18- 9-20  116.11834690

 NUCLEAR CHARGE:                   70
 NUMBER OF PRIMITIVE AOS:         180
 NUMBER OF SYMMETRY AOS:          180
 NUMBER OF CONTRACTIONS:           60   (  25Ag  +   5Au  +  25Bu  +   5Bg  )
 NUMBER OF CORE ORBITALS:          10   (   5Ag  +   0Au  +   5Bu  +   0Bg  )
 NUMBER OF VALENCE ORBITALS:       50   (  20Ag  +   5Au  +  20Bu  +   5Bg  )


 NUCLEAR REPULSION ENERGY  445.81042271


 Eigenvalues of metric

         1 0.193E+00 0.216E+00 0.224E+00 0.283E+00 0.298E+00 0.314E+00 0.321E+00 0.343E+00
         2 0.676E+00 0.773E+00 0.842E+00 0.122E+01 0.152E+01
         3 0.182E+00 0.195E+00 0.249E+00 0.262E+00 0.291E+00 0.299E+00 0.321E+00 0.360E+00
         4 0.598E+00 0.759E+00 0.109E+01 0.118E+01 0.134E+01
 

 Contracted 2-electron integrals neglected if value below      1.0D-11
 AO integral compression algorithm  1   Integral accuracy      1.0D-11

     2.884 MB (compressed) written to integral file ( 54.2%)

     Node minimum: 2.884 MB, node maximum: 2.884 MB
 

 NUMBER OF SORTED TWO-ELECTRON INTEGRALS:     529115.     BUFFER LENGTH:  32768
 NUMBER OF SEGMENTS:   1  SEGMENT LENGTH:     529115      RECORD LENGTH: 524288

 Memory used in sort:       1.09 MW

 SORT1 READ     610800. AND WROTE     513244. INTEGRALS IN    2 RECORDS. CPU TIME:     0.11 SEC, REAL TIME:     0.14 SEC
 SORT2 READ     513244. AND WROTE     529115. INTEGRALS IN   11 RECORDS. CPU TIME:     0.08 SEC, REAL TIME:     0.11 SEC

 Node minimum:     529115.  Node maximum:     529115. integrals

 OPERATOR DM      FOR CENTER  0  COORDINATES:    0.000000    0.000000    0.000000


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      19        4.26       500      610      700      900      950      970     1000     1100     1400     1410   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS      S        T        V 
                                         1200     1210     1080     1600      129      960     1650     1300     1700   
                                          H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER   
 
 PROGRAMS   *        TOTAL       INT
 CPU TIMES  *         1.72      1.62
 REAL TIME  *         1.84 SEC
 DISK USED  *        13.44 MB      
 **********************************************************************************************************************************

 Density functional group B3LYP=B88+DIRAC+LYP+VWN5
 Functional: B88(Automatically generated B88)                                  Gradient terms: 1
 Functional: DIRAC(Automatically generated DIRAC)                              Gradient terms: 0
 Functional: LYP(Lee-Yang-Parr gradient-corrected correlation energy (1988))   Gradient terms: 1
 Functional: VWN5(Automatically generated VWN5)                                Gradient terms: 0
 Use grid at  1800.2
 

 Exact exchange will be calculated, factor:  0.2000

 Functional: B88                       Factor:  0.7200
 Functional: DIRAC                     Factor:  0.0800
 Functional: LYP                       Factor:  0.8100
 Functional: VWN5                      Factor:  0.1900
 
 Generated new metagrid on record  1800.2 with target accuracy 1.0D-06 and 24610 points in CPU time    0.7
 Computed new grid on record 1800.1 in CPU time    1.1
   52932 words reserved for DFT integration

 PROGRAM * RKS-SCF (Restricted closed shell Kohn-Sham)     Authors: W. Meyer, H.-J. Werner, P.J. Knowles, 1993

 NUMBER OF ELECTRONS:      35+   35-
 CONVERGENCE THRESHOLDS:    1.00E-06 (Density)    1.40E-07 (Energy)
 MAX. NUMBER OF ITERATIONS:       60
 INTERPOLATION TYPE:            DIIS
 INTERPOLATION STEPS:              2 (START)      1 (STEP)
 LEVEL SHIFTS:                  0.00 (CLOSED)  0.00 (OPEN) 



 Density guess generated from atomic densities.  Occupancy:   15   3  15   3

 Molecular orbital dump at record        2100.2

 ITERATION    DDIFF          GRAD             ENERGY        2-EL.EN.            DIPOLE MOMENTS         DIIS
 Generated new metagrid on record  1801.2 with target accuracy 1.0D-03 and 3965 points in CPU time    0.3
 Computed new grid on record 1801.1 in CPU time    0.3
    1      0.000D+00      0.000D+00      -384.34347664   1246.277744   0.000000   0.000000   0.000000    0
    2      0.000D+00      0.492D-01      -382.04122722   1235.155857   0.000000   0.000000   0.000000    0
    3      0.167D+00      0.734D-02      -382.04262173   1240.323068   0.000000   0.000000   0.000000    1
    4      0.157D-01      0.625D-02      -381.36470495   1243.935937   0.000000   0.000000   0.000000    2
    5      0.866D-01      0.113D-01      -382.05082328   1237.365883   0.000000   0.000000   0.000000    3
    6      0.861D-01      0.176D-02      -382.05160415   1237.856555   0.000000   0.000000   0.000000    4
    7      0.209D-02      0.627D-03      -381.37272790   1244.610215   0.000000   0.000000   0.000000    5
    8      0.859D-01      0.914D-02      -381.37202816   1244.686218   0.000000   0.000000   0.000000    6
 Selecting fine grid and restarting DIIS
 Use fine grid record 1800.2 for energy threshold 1.0D-06
    9      0.230D-03      0.923D-02      -381.37535486   1244.379903   0.000000   0.000000   0.000000    7
   10      0.117D-02      0.866D-02      -381.26895167   1231.738657   0.000000   0.000000   0.000000    1
   11      0.391D-01      0.208D-01      -381.39254047   1240.819558   0.000000   0.000000   0.000000    2
   12      0.327D-01      0.609D-02      -381.40018839   1238.906733   0.000000   0.000000   0.000000    3
   13      0.930D-02      0.260D-02      -381.40189100   1239.837961   0.000000   0.000000   0.000000    4
   14      0.282D-02      0.437D-03      -381.40193709   1239.851810   0.000000   0.000000   0.000000    5
   15      0.108D-02      0.331D-03      -381.40196408   1239.863538   0.000000   0.000000   0.000000    6
   16      0.525D-03      0.740D-04      -381.40196762   1239.860429   0.000000   0.000000   0.000000    7
   17      0.220D-03      0.367D-04      -381.40196922   1239.867182   0.000000   0.000000   0.000000    8
   18      0.205D-03      0.130D-04      -381.40196950   1239.869112   0.000000   0.000000   0.000000    9
   19      0.109D-03      0.324D-05      -381.40196951   1239.868512   0.000000   0.000000   0.000000    8
   20      0.160D-04      0.488D-06      -381.40196951   1239.868093   0.000000   0.000000   0.000000    7
   21      0.225D-05      0.436D-06      -381.40196951   1239.868358   0.000000   0.000000   0.000000    8
   22      0.197D-05      0.174D-06      -381.40196951   1239.868311   0.000000   0.000000   0.000000    8
   23      0.605D-06      0.272D-07      -381.40196951   1239.868274   0.000000   0.000000   0.000000    0
 
 Final occupancy:  15   3  14   3
 
 !RKS STATE 1.1 ENERGY               -381.401969506518
 Nuclear energy                       445.81042271
 One-electron energy                -1400.63074039
 Two-electron energy                  619.93413709
 SCF exchange energy                  -54.98003878     Factor=0.2000
 Density functional                   -46.51578891     B88=-55.29867220 DIRAC=-49.78218467 LYP= -2.30605754 VWN5= -4.47507130
 Virial quotient                       -1.01312101
 !RKS STATE 1.1 DIPOLE MOMENT           0.00000000     0.00000000     0.00000000
 Dipole moment /Debye                   0.00000000     0.00000000     0.00000000


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      20        5.05       500      610      700      900      950      970     1000     1100     1400     1410   
                                          VAR    BASINP    GEOM    SYMINP    ZMAT    AOBASIS   BASIS      S        T        V 
                                         1200     1210     1080     1600      129      960     1650     1300     1700     1800   
                                          H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER     GRID   
 
              2       5        0.47       700     1000     1800     1801     2100   
                                         GEOM     BASIS    GRID     GRID      RKS  
 
 PROGRAMS   *        TOTAL        KS       INT
 CPU TIMES  *        10.74      9.02      1.62
 REAL TIME  *        12.15 SEC
 DISK USED  *        14.65 MB      
 **********************************************************************************************************************************


 Computing numerical hessian using default procedure for command KS-SCF

 *** Long output written to logfile /home_nfs1/langner/dvb_ir.com.log ***


 Symmetry elements for unique displacements: Z  XY 

 Using no symmetry

 Running default procedure: KS-SCF000
 
 Recomputing wavefunction at reference geometry

 Numerically approximating hessian using central gradient differences

 Task list generated. Total number of displacements:     50

    5 tasks completed, CPU=   264.89 sec, Elapsed=   311.05 sec
   10 tasks completed, CPU=   525.01 sec, Elapsed=   622.58 sec
   15 tasks completed, CPU=   788.42 sec, Elapsed=   937.20 sec
   20 tasks completed, CPU=  1055.50 sec, Elapsed=  1242.38 sec
   25 tasks completed, CPU=  1316.66 sec, Elapsed=  1541.88 sec
   30 tasks completed, CPU=  1579.84 sec, Elapsed=  1843.84 sec
   35 tasks completed, CPU=  1849.35 sec, Elapsed=  2154.09 sec
   40 tasks completed, CPU=  2111.43 sec, Elapsed=  2468.50 sec
   45 tasks completed, CPU=  2375.09 sec, Elapsed=  2771.39 sec
   50 tasks completed, CPU=  2633.02 sec, Elapsed=  3078.80 sec

 Numerical KS-SCF000 hessian completed. CPU-time:  2633.02 sec, Elapsed:  3078.80 sec

 KS-SCF hessian saved to record  5300.2

 FREQUENCIES * CALCULATION OF HARMONIC VIBRATIONAL SPECTRA FOR KS-SCF000                       


 Permanent Dipole Moment [debye]
   1-  3    0.000000    0.000000    0.000000

 Dipole Moment Norm    0.0000000 [debye]

 Dipole Moment Derivatives [debye/ang]
                   1             2             3             4             5             6             7             8
         1     0.8960758    -0.3473540     0.0000000    -0.8899980     0.3575054     0.0000000    -0.5513686    -0.5286447
         2    -0.0043741    -0.7184876     0.0000000     0.3936619     0.1303774     0.0000000    -0.4744880    -0.1974274
         3     0.0000000     0.0000000     0.1318460     0.0000000     0.0000000    -0.4360107     0.0000000     0.0000000
                   9            10            11            12            13            14            15            16
         1     0.0000000     0.8960758    -0.3473540     0.0000000    -0.8899980     0.3575054     0.0000000    -0.5513686
         2     0.0000000    -0.0043741    -0.7184876     0.0000000     0.3936619     0.1303774     0.0000000    -0.4744880
         3    -0.3987249     0.0000000     0.0000000     0.1318460     0.0000000     0.0000000    -0.4360107     0.0000000
                  17            18            19            20            21            22            23            24
         1    -0.5286447     0.0000000     0.9566177     1.6169704     0.0000000     0.9566177     1.6169704     0.0000000
         2    -0.1974274     0.0000000     0.0891206    -0.0226520     0.0000000     0.0891206    -0.0226520     0.0000000
         3     0.0000000    -0.3987249     0.0000000     0.0000000    -0.3782278     0.0000000     0.0000000    -0.3782278
                  25            26            27            28            29            30            31            32
         1     0.1685736     0.0480818     0.0000000     0.1685736     0.0480818     0.0000000     0.1734457    -0.0922727
         2     0.0532290     0.2986884     0.0000000     0.0532290     0.2986884     0.0000000    -0.0583932     0.2889642
         3     0.0000000     0.0000000     0.3798360     0.0000000     0.0000000     0.3798360     0.0000000     0.0000000
                  33            34            35            36            37            38            39            40
         1     0.0000000     0.1734457    -0.0922727     0.0000000    -1.2354635    -0.2683153     0.0000000    -1.2354635
         2     0.0000000    -0.0583932     0.2889642     0.0000000     0.2152172    -0.1823856     0.0000000     0.2152172
         3     0.3726505     0.0000000     0.0000000     0.3726505     0.0000000     0.0000000    -0.9818115     0.0000000
                  41            42            43            44            45            46            47            48
         1    -0.2683153     0.0000000    -0.1464464    -0.3125866     0.0000000    -0.1464464    -0.3125866     0.0000000
         2    -0.1823856     0.0000000     0.0929990     0.0981583     0.0000000     0.0929990     0.0981583     0.0000000
         3     0.0000000    -0.9818115     0.0000000     0.0000000     0.3852943     0.0000000     0.0000000     0.3852943
                  49            50            51            52            53            54            55            56
         1     0.5523205     0.2681797     0.0000000     0.5523205     0.2681797     0.0000000     0.0762975    -0.7463948
         2    -0.2079313     0.1270462     0.0000000    -0.2079313     0.1270462     0.0000000    -0.0963157     0.1787968
         3     0.0000000     0.0000000     0.4522796     0.0000000     0.0000000     0.4522796     0.0000000     0.0000000
                  57            58            59            60
         1     0.0000000     0.0762975    -0.7463948     0.0000000
         2     0.0000000    -0.0963157     0.1787968     0.0000000
         3     0.4727320     0.0000000     0.0000000     0.4727320

 Projecting out rotations and translations

 Force Constants (Second Derivatives of the Energy) in [a.u.]
                             CX1         CY1         CZ1         CX2         CY2     
           CX1           0.7057663
           CY1           0.0039020   0.7253286
           CZ1           0.0000000   0.0000000   0.1578653
           CX2          -0.2089598   0.0528992   0.0000000   0.7582163
           CY2           0.1379167  -0.2647616   0.0000000   0.0558983   0.8220091
           CZ2           0.0000000   0.0000000  -0.0665729   0.0000000   0.0000000
           CX3          -0.0549474   0.0803818   0.0000000  -0.3781374  -0.0885771
           CY3           0.0102261   0.0611284   0.0000000   0.0140633  -0.1539436
           CZ3           0.0000000   0.0000000   0.0070096   0.0000000   0.0000000
           CX4           0.0104055   0.0157767   0.0000000  -0.0159636  -0.0369885
           CY4           0.0157767  -0.0839335   0.0000000  -0.1087639   0.0211223
           CZ4           0.0000000   0.0000000  -0.0089530   0.0000000   0.0000000
           CX5          -0.0159636  -0.1087639   0.0000000  -0.0767087   0.0271332
           CY5          -0.0369885   0.0211223   0.0000000   0.0271332  -0.0082654
           CZ5           0.0000000   0.0000000   0.0069209   0.0000000   0.0000000
           CX6          -0.1549948  -0.0166966   0.0000000   0.0749352  -0.0059304
           CY6          -0.0976138  -0.3190822   0.0000000   0.0531619  -0.0599528
           CZ6           0.0000000   0.0000000  -0.0674463   0.0000000   0.0000000
           CX7          -0.2373711  -0.0267874   0.0000000  -0.0446570   0.0064197
           CY7          -0.0563065  -0.1235868   0.0000000   0.0317474   0.0064530
           CZ7           0.0000000   0.0000000  -0.0633588   0.0000000   0.0000000
           CX8          -0.0060774  -0.0002856   0.0000000   0.0101242  -0.0016721
           CY8           0.0015401  -0.0002460   0.0000000  -0.0008842  -0.0064276
           CZ8           0.0000000   0.0000000  -0.0010001   0.0000000   0.0000000
           HX9           0.0127642  -0.0140889   0.0000000  -0.0015318  -0.0025785
           HY9           0.0223057  -0.0148235   0.0000000  -0.0040933  -0.0036961
           HZ9           0.0000000   0.0000000   0.0027577   0.0000000   0.0000000
           HX10         -0.0040205  -0.0033596   0.0000000  -0.0135978   0.0284941
           HY10         -0.0018136   0.0001656   0.0000000  -0.0112504   0.0089981
           HZ10          0.0000000   0.0000000   0.0088397   0.0000000   0.0000000
           HX11          0.0099946   0.0235058   0.0000000  -0.1063055  -0.1102644
           HY11         -0.0134258  -0.0147105   0.0000000  -0.1100584  -0.3655602
           HZ11          0.0000000   0.0000000   0.0024526   0.0000000   0.0000000
           HX12         -0.0052467   0.0015064   0.0000000  -0.0005038   0.0006119
           HY12          0.0000391   0.0012158   0.0000000   0.0007808   0.0010606
           HZ12          0.0000000   0.0000000   0.0088014   0.0000000   0.0000000
           CX13         -0.0483743   0.0216858   0.0000000   0.0027940  -0.0069918
           CY13          0.0129923   0.0173347   0.0000000  -0.0070706   0.0010188
           CZ13          0.0000000   0.0000000   0.0054707   0.0000000   0.0000000
           CX14          0.0018536   0.0008032   0.0000000  -0.0016517   0.0013970
           CY14         -0.0019589   0.0000753   0.0000000   0.0029288  -0.0006421
           CZ14          0.0000000   0.0000000  -0.0000458   0.0000000   0.0000000
           HX15         -0.0067452  -0.0317923   0.0000000   0.0018104  -0.0021218
           HY15          0.0036825  -0.0025228   0.0000000   0.0025818   0.0014939
           HZ15          0.0000000   0.0000000   0.0023472   0.0000000   0.0000000
           HX16          0.0001704   0.0000209   0.0000000   0.0003160  -0.0017228
           HY16          0.0000597   0.0001619   0.0000000   0.0001818  -0.0001673
           HZ16          0.0000000   0.0000000   0.0001169   0.0000000   0.0000000
           HX17          0.0001220   0.0001641   0.0000000   0.0000122  -0.0002312
           HY17         -0.0000658   0.0000500   0.0000000   0.0000031   0.0001961
           HZ17          0.0000000   0.0000000   0.0001521   0.0000000   0.0000000
           HX18         -0.0000404   0.0027668   0.0000000  -0.0004002  -0.0004951
           HY18          0.0012583  -0.0033433   0.0000000   0.0009229   0.0007968
           HZ18          0.0000000   0.0000000   0.0129280   0.0000000   0.0000000
           HX19         -0.0000598   0.0001007   0.0000000   0.0000806  -0.0002003
           HY19         -0.0001162  -0.0001223   0.0000000  -0.0000019   0.0003663
           HZ19          0.0000000   0.0000000  -0.0000763   0.0000000   0.0000000
           HX20          0.0017243  -0.0017391   0.0000000   0.0001283  -0.0000968
           HY20         -0.0014102   0.0005501   0.0000000  -0.0001797  -0.0000982
           HZ20          0.0000000   0.0000000  -0.0082088   0.0000000   0.0000000
                             CZ2         CX3         CY3         CZ3         CX4     
           CZ2           0.1411973
           CX3           0.0000000   0.7966819
           CY3           0.0000000  -0.0661120   0.7845262
           CZ3          -0.0623986   0.0000000   0.0000000   0.1410944
           CX4           0.0000000  -0.1549948  -0.0976138   0.0000000   0.7057663
           CY4           0.0000000  -0.0166966  -0.3190822   0.0000000   0.0039020
           CZ4           0.0069209   0.0000000   0.0000000  -0.0674463   0.0000000
           CX5           0.0000000   0.0749352   0.0531619   0.0000000  -0.2089598
           CY5           0.0000000  -0.0059304  -0.0599528   0.0000000   0.1379167
           CZ5          -0.0071464   0.0000000   0.0000000   0.0065522   0.0000000
           CX6           0.0000000  -0.0509859  -0.0423618   0.0000000  -0.0549474
           CY6           0.0000000  -0.0423618  -0.0318373   0.0000000   0.0102261
           CZ6           0.0065522   0.0000000   0.0000000  -0.0063933   0.0000000
           CX7           0.0000000   0.0068815   0.0062465   0.0000000  -0.0060774
           CY7           0.0000000   0.0009261  -0.0049557   0.0000000   0.0015401
           CZ7           0.0040446   0.0000000   0.0000000   0.0074488   0.0000000
           CX8           0.0000000  -0.0252416  -0.0212277   0.0000000  -0.2373711
           CY8           0.0000000  -0.0334347   0.0012660   0.0000000  -0.0563065
           CZ8           0.0068385   0.0000000   0.0000000   0.0027394   0.0000000
           HX9           0.0000000   0.0000570  -0.0009657   0.0000000  -0.0040205
           HY9           0.0000000  -0.0010330   0.0004511   0.0000000  -0.0018136
           HZ9           0.0076948   0.0000000   0.0000000  -0.0009548   0.0000000
           HX10          0.0000000  -0.1991391   0.1659237   0.0000000   0.0127642
           HY10          0.0000000   0.1671319  -0.2746402   0.0000000   0.0223057
           HZ10          0.0037275   0.0000000   0.0000000  -0.0402298   0.0000000
           HX11          0.0000000  -0.0059048  -0.0330873   0.0000000  -0.0052467
           HY11          0.0000000   0.0062608   0.0016542   0.0000000   0.0000391
           HZ11         -0.0398637   0.0000000   0.0000000   0.0033364   0.0000000
           HX12          0.0000000  -0.0036429   0.0024799   0.0000000   0.0099946
           HY12          0.0000000   0.0040347  -0.0015920   0.0000000  -0.0134258
           HZ12         -0.0009046   0.0000000   0.0000000   0.0073860   0.0000000
           CX13          0.0000000  -0.0032717  -0.0009423   0.0000000   0.0018536
           CY13          0.0000000   0.0015305   0.0019594   0.0000000  -0.0019589
           CZ13          0.0014886   0.0000000   0.0000000  -0.0000582   0.0000000
           CX14          0.0000000   0.0036588   0.0063361   0.0000000  -0.0483743
           CY14          0.0000000  -0.0050431  -0.0050097   0.0000000   0.0129923
           CZ14         -0.0005120   0.0000000   0.0000000   0.0002824   0.0000000
           HX15          0.0000000   0.0001228   0.0000996   0.0000000   0.0001704
           HY15          0.0000000  -0.0000409  -0.0001206   0.0000000   0.0000597
           HZ15         -0.0010048   0.0000000   0.0000000  -0.0000751   0.0000000
           HX16          0.0000000  -0.0052935   0.0018356   0.0000000  -0.0067452
           HY16          0.0000000   0.0000904   0.0006953   0.0000000   0.0036825
           HZ16          0.0000610   0.0000000   0.0000000   0.0025022   0.0000000
           HX17          0.0000000   0.0004726   0.0002187   0.0000000  -0.0000404
           HY17          0.0000000  -0.0001295  -0.0005349   0.0000000   0.0012583
           HZ17         -0.0003341   0.0000000   0.0000000  -0.0004318   0.0000000
           HX18          0.0000000  -0.0001974   0.0004225   0.0000000   0.0001220
           HY18          0.0000000   0.0000585  -0.0002614   0.0000000  -0.0000658
           HZ18          0.0000287   0.0000000   0.0000000  -0.0009011   0.0000000
           HX19          0.0000000  -0.0011880   0.0013568   0.0000000   0.0017243
           HY19          0.0000000  -0.0010654   0.0004493   0.0000000  -0.0014102
           HZ19          0.0001838   0.0000000   0.0000000   0.0003024   0.0000000
           HX20          0.0000000   0.0001347  -0.0000600   0.0000000  -0.0000598
           HY20          0.0000000   0.0000099  -0.0001996   0.0000000  -0.0001162
           HZ20         -0.0000010   0.0000000   0.0000000   0.0002352   0.0000000
                             CY4         CZ4         CX5         CY5         CZ5     
           CY4           0.7253286
           CZ4           0.0000000   0.1578653
           CX5           0.0528992   0.0000000   0.7582163
           CY5          -0.2647616   0.0000000   0.0558983   0.8220091
           CZ5           0.0000000  -0.0665729   0.0000000   0.0000000   0.1411973
           CX6           0.0803818   0.0000000  -0.3781374  -0.0885771   0.0000000
           CY6           0.0611284   0.0000000   0.0140633  -0.1539436   0.0000000
           CZ6           0.0000000   0.0070096   0.0000000   0.0000000  -0.0623986
           CX7          -0.0002856   0.0000000   0.0101242  -0.0016721   0.0000000
           CY7          -0.0002460   0.0000000  -0.0008842  -0.0064276   0.0000000
           CZ7           0.0000000  -0.0010001   0.0000000   0.0000000   0.0068385
           CX8          -0.0267874   0.0000000  -0.0446570   0.0064197   0.0000000
           CY8          -0.1235868   0.0000000   0.0317474   0.0064530   0.0000000
           CZ8           0.0000000  -0.0633588   0.0000000   0.0000000   0.0040446
           HX9          -0.0033596   0.0000000  -0.0135978   0.0284941   0.0000000
           HY9           0.0001656   0.0000000  -0.0112504   0.0089981   0.0000000
           HZ9           0.0000000   0.0088397   0.0000000   0.0000000   0.0037275
           HX10         -0.0140889   0.0000000  -0.0015318  -0.0025785   0.0000000
           HY10         -0.0148235   0.0000000  -0.0040933  -0.0036961   0.0000000
           HZ10          0.0000000   0.0027577   0.0000000   0.0000000   0.0076948
           HX11          0.0015064   0.0000000  -0.0005038   0.0006119   0.0000000
           HY11          0.0012158   0.0000000   0.0007808   0.0010606   0.0000000
           HZ11          0.0000000   0.0088014   0.0000000   0.0000000  -0.0009046
           HX12          0.0235058   0.0000000  -0.1063055  -0.1102644   0.0000000
           HY12         -0.0147105   0.0000000  -0.1100584  -0.3655602   0.0000000
           HZ12          0.0000000   0.0024526   0.0000000   0.0000000  -0.0398637
           CX13          0.0008032   0.0000000  -0.0016517   0.0013970   0.0000000
           CY13          0.0000753   0.0000000   0.0029288  -0.0006421   0.0000000
           CZ13          0.0000000  -0.0000458   0.0000000   0.0000000  -0.0005120
           CX14          0.0216858   0.0000000   0.0027940  -0.0069918   0.0000000
           CY14          0.0173347   0.0000000  -0.0070706   0.0010188   0.0000000
           CZ14          0.0000000   0.0054707   0.0000000   0.0000000   0.0014886
           HX15          0.0000209   0.0000000   0.0003160  -0.0017228   0.0000000
           HY15          0.0001619   0.0000000   0.0001818  -0.0001673   0.0000000
           HZ15          0.0000000   0.0001169   0.0000000   0.0000000   0.0000610
           HX16         -0.0317923   0.0000000   0.0018104  -0.0021218   0.0000000
           HY16         -0.0025228   0.0000000   0.0025818   0.0014939   0.0000000
           HZ16          0.0000000   0.0023472   0.0000000   0.0000000  -0.0010048
           HX17          0.0027668   0.0000000  -0.0004002  -0.0004951   0.0000000
           HY17         -0.0033433   0.0000000   0.0009229   0.0007968   0.0000000
           HZ17          0.0000000   0.0129280   0.0000000   0.0000000   0.0000287
           HX18          0.0001641   0.0000000   0.0000122  -0.0002312   0.0000000
           HY18          0.0000500   0.0000000   0.0000031   0.0001961   0.0000000
           HZ18          0.0000000   0.0001521   0.0000000   0.0000000  -0.0003341
           HX19         -0.0017391   0.0000000   0.0001283  -0.0000968   0.0000000
           HY19          0.0005501   0.0000000  -0.0001797  -0.0000982   0.0000000
           HZ19          0.0000000  -0.0082088   0.0000000   0.0000000  -0.0000010
           HX20          0.0001007   0.0000000   0.0000806  -0.0002003   0.0000000
           HY20         -0.0001223   0.0000000  -0.0000019   0.0003663   0.0000000
           HZ20          0.0000000  -0.0000763   0.0000000   0.0000000   0.0001838
                             CX6         CY6         CZ6         CX7         CY7     
           CX6           0.7966819
           CY6          -0.0661120   0.7845262
           CZ6           0.0000000   0.0000000   0.1410944
           CX7          -0.0252416  -0.0212277   0.0000000   0.7731012
           CY7          -0.0334347   0.0012660   0.0000000  -0.1416012   0.8784754
           CZ7           0.0000000   0.0000000   0.0027394   0.0000000   0.0000000
           CX8           0.0068815   0.0062465   0.0000000   0.0032445  -0.0008132
           CY8           0.0009261  -0.0049557   0.0000000  -0.0008132  -0.0001500
           CZ8           0.0000000   0.0000000   0.0074488   0.0000000   0.0000000
           HX9          -0.1991391   0.1659237   0.0000000  -0.0000477   0.0011420
           HY9           0.1671319  -0.2746402   0.0000000   0.0017035   0.0012858
           HZ9           0.0000000   0.0000000  -0.0402298   0.0000000   0.0000000
           HX10          0.0000570  -0.0009657   0.0000000  -0.0003213   0.0013789
           HY10         -0.0010330   0.0004511   0.0000000  -0.0002257   0.0004799
           HZ10          0.0000000   0.0000000  -0.0009548   0.0000000   0.0000000
           HX11         -0.0036429   0.0024799   0.0000000   0.0016512   0.0021083
           HY11          0.0040347  -0.0015920   0.0000000  -0.0023332   0.0016221
           HZ11          0.0000000   0.0000000   0.0073860   0.0000000   0.0000000
           HX12         -0.0059048  -0.0330873   0.0000000   0.0001988  -0.0015241
           HY12          0.0062608   0.0016542   0.0000000   0.0000853   0.0000991
           HZ12          0.0000000   0.0000000   0.0033364   0.0000000   0.0000000
           CX13          0.0036588   0.0063361   0.0000000  -0.3919915   0.2546735
           CY13         -0.0050431  -0.0050097   0.0000000   0.2318730  -0.3684836
           CZ13          0.0000000   0.0000000   0.0002824   0.0000000   0.0000000
           CX14         -0.0032717  -0.0009423   0.0000000  -0.0009641   0.0002403
           CY14          0.0015305   0.0019594   0.0000000   0.0013181   0.0000955
           CZ14          0.0000000   0.0000000  -0.0000582   0.0000000   0.0000000
           HX15         -0.0052935   0.0018356   0.0000000  -0.0838761  -0.0763803
           HY15          0.0000904   0.0006953   0.0000000  -0.0734565  -0.3826003
           HZ15          0.0000000   0.0000000   0.0025022   0.0000000   0.0000000
           HX16          0.0001228   0.0000996   0.0000000   0.0000484   0.0000230
           HY16         -0.0000409  -0.0001206   0.0000000   0.0000162   0.0000272
           HZ16          0.0000000   0.0000000  -0.0000751   0.0000000   0.0000000
           HX17         -0.0001974   0.0004225   0.0000000  -0.0000505  -0.0001005
           HY17          0.0000585  -0.0002614   0.0000000  -0.0000377  -0.0000751
           HZ17          0.0000000   0.0000000  -0.0009011   0.0000000   0.0000000
           HX18          0.0004726   0.0002187   0.0000000  -0.0158896  -0.0124824
           HY18         -0.0001295  -0.0005349   0.0000000   0.0286044   0.0099670
           HZ18          0.0000000   0.0000000  -0.0004318   0.0000000   0.0000000
           HX19          0.0001347  -0.0000600   0.0000000  -0.0000278   0.0002026
           HY19          0.0000099  -0.0001996   0.0000000   0.0001018   0.0001154
           HZ19          0.0000000   0.0000000   0.0002352   0.0000000   0.0000000
           HX20         -0.0011880   0.0013568   0.0000000   0.0112659   0.0295450
           HY20         -0.0010654   0.0004493   0.0000000  -0.0079283  -0.0133614
           HZ20          0.0000000   0.0000000   0.0003024   0.0000000   0.0000000
                             CZ7         CX8         CY8         CZ8         HX9     
           CZ7           0.1385098
           CX8           0.0000000   0.7731012
           CY8           0.0000000  -0.1416012   0.8784754
           CZ8          -0.0010689   0.0000000   0.0000000   0.1385098
           HX9           0.0000000  -0.0003213   0.0013789   0.0000000   0.2061818
           HY9           0.0000000  -0.0002257   0.0004799   0.0000000  -0.1734708
           HZ9          -0.0039209   0.0000000   0.0000000   0.0000450   0.0000000
           HX10          0.0000000  -0.0000477   0.0011420   0.0000000  -0.0000114
           HY10          0.0000000   0.0017035   0.0012858   0.0000000   0.0002366
           HZ10          0.0000450   0.0000000   0.0000000  -0.0039209   0.0000000
           HX11          0.0000000   0.0001988  -0.0015241   0.0000000   0.0006148
           HY11          0.0000000   0.0000853   0.0000991   0.0000000  -0.0006807
           HZ11         -0.0038660   0.0000000   0.0000000   0.0001546   0.0000000
           HX12          0.0000000   0.0016512   0.0021083   0.0000000   0.0018349
           HY12          0.0000000  -0.0023332   0.0016221   0.0000000   0.0002136
           HZ12          0.0001546   0.0000000   0.0000000  -0.0038660   0.0000000
           CX13          0.0000000  -0.0009641   0.0002403   0.0000000  -0.0008746
           CY13          0.0000000   0.0013181   0.0000955   0.0000000  -0.0020911
           CZ13         -0.0525078   0.0000000   0.0000000   0.0000838   0.0000000
           CX14          0.0000000  -0.3919915   0.2546735   0.0000000  -0.0003628
           CY14          0.0000000   0.2318730  -0.3684836   0.0000000  -0.0003054
           CZ14          0.0000838   0.0000000   0.0000000  -0.0525078   0.0000000
           HX15          0.0000000   0.0000484   0.0000230   0.0000000   0.0000079
           HY15          0.0000000   0.0000162   0.0000272   0.0000000   0.0000446
           HZ15         -0.0446018   0.0000000   0.0000000   0.0000265   0.0000000
           HX16          0.0000000  -0.0838761  -0.0763803   0.0000000  -0.0000073
           HY16          0.0000000  -0.0734565  -0.3826003   0.0000000   0.0000258
           HZ16          0.0000265   0.0000000   0.0000000  -0.0446018   0.0000000
           HX17          0.0000000  -0.0158896  -0.0124824   0.0000000  -0.0000602
           HY17          0.0000000   0.0286044   0.0099670   0.0000000   0.0001106
           HZ17         -0.0000085   0.0000000   0.0000000   0.0056447   0.0000000
           HX18          0.0000000  -0.0000505  -0.0001005   0.0000000   0.0001218
           HY18          0.0000000  -0.0000377  -0.0000751   0.0000000   0.0002300
           HZ18          0.0056447   0.0000000   0.0000000  -0.0000085   0.0000000
           HX19          0.0000000   0.0112659   0.0295450   0.0000000   0.0000098
           HY19          0.0000000  -0.0079283  -0.0133614   0.0000000  -0.0000118
           HZ19          0.0000695   0.0000000   0.0000000   0.0047274   0.0000000
           HX20          0.0000000  -0.0000278   0.0002026   0.0000000  -0.0016177
           HY20          0.0000000   0.0001018   0.0001154   0.0000000  -0.0002472
           HZ20          0.0047274   0.0000000   0.0000000   0.0000695   0.0000000
                             HY9         HZ9         HX10        HY10        HZ10    
           HY9           0.2803582
           HZ9           0.0000000   0.0276461
           HX10          0.0002366   0.0000000   0.2061818
           HY10         -0.0000543   0.0000000  -0.1734708   0.2803582
           HZ10          0.0000000  -0.0011818   0.0000000   0.0000000   0.0276461
           HX11          0.0011288   0.0000000   0.0018349  -0.0000200   0.0000000
           HY11         -0.0007998   0.0000000   0.0002136   0.0011893   0.0000000
           HZ11          0.0000000   0.0001465   0.0000000   0.0000000  -0.0051138
           HX12         -0.0000200   0.0000000   0.0006148   0.0011288   0.0000000
           HY12          0.0011893   0.0000000  -0.0006807  -0.0007998   0.0000000
           HZ12          0.0000000  -0.0051138   0.0000000   0.0000000   0.0001465
           CX13          0.0007539   0.0000000  -0.0003628  -0.0001313   0.0000000
           CY13         -0.0000219   0.0000000  -0.0003054  -0.0000645   0.0000000
           CZ13          0.0000000   0.0003141   0.0000000   0.0000000  -0.0001122
           CX14         -0.0001313   0.0000000  -0.0008746   0.0007539   0.0000000
           CY14         -0.0000645   0.0000000  -0.0020911  -0.0000219   0.0000000
           CZ14          0.0000000  -0.0001122   0.0000000   0.0000000   0.0003141
           HX15          0.0000085   0.0000000  -0.0000073   0.0000091   0.0000000
           HY15          0.0001237   0.0000000   0.0000258   0.0000111   0.0000000
           HZ15          0.0000000  -0.0000624   0.0000000   0.0000000   0.0000126
           HX16          0.0000091   0.0000000   0.0000079   0.0000085   0.0000000
           HY16          0.0000111   0.0000000   0.0000446   0.0001237   0.0000000
           HZ16          0.0000000   0.0000126   0.0000000   0.0000000  -0.0000624
           HX17         -0.0000386   0.0000000   0.0001218   0.0000275   0.0000000
           HY17          0.0000375   0.0000000   0.0002300   0.0003268   0.0000000
           HZ17          0.0000000   0.0000076   0.0000000   0.0000000   0.0001384
           HX18          0.0000275   0.0000000  -0.0000602  -0.0000386   0.0000000
           HY18          0.0003268   0.0000000   0.0001106   0.0000375   0.0000000
           HZ18          0.0000000   0.0001384   0.0000000   0.0000000   0.0000076
           HX19          0.0000191   0.0000000  -0.0016177  -0.0012478   0.0000000
           HY19         -0.0000033   0.0000000  -0.0002472   0.0006764   0.0000000
           HZ19          0.0000000  -0.0000132   0.0000000   0.0000000   0.0002590
           HX20         -0.0012478   0.0000000   0.0000098   0.0000191   0.0000000
           HY20          0.0006764   0.0000000  -0.0000118  -0.0000033   0.0000000
           HZ20          0.0000000   0.0002590   0.0000000   0.0000000  -0.0000132
                             HX11        HY11        HZ11        HX12        HY12    
           HX11          0.1077635
           HY11          0.1145617   0.3756366
           HZ11          0.0000000   0.0000000   0.0283841
           HX12          0.0001175  -0.0001684   0.0000000   0.1077635
           HY12         -0.0001684  -0.0001824   0.0000000   0.1145617   0.3756366
           HZ12          0.0000000   0.0000000  -0.0010677   0.0000000   0.0000000
           CX13         -0.0000815  -0.0000974   0.0000000   0.0000748  -0.0000158
           CY13         -0.0003097   0.0001551   0.0000000  -0.0000040   0.0000136
           CZ13          0.0000000   0.0000000   0.0001201   0.0000000   0.0000000
           CX14          0.0000748  -0.0000158   0.0000000  -0.0000815  -0.0000974
           CY14         -0.0000040   0.0000136   0.0000000  -0.0003097   0.0001551
           CZ14          0.0000000   0.0000000   0.0000303   0.0000000   0.0000000
           HX15         -0.0001131   0.0007893   0.0000000  -0.0004624   0.0000115
           HY15         -0.0004733   0.0001557   0.0000000  -0.0000440   0.0000397
           HZ15          0.0000000   0.0000000  -0.0000363   0.0000000   0.0000000
           HX16         -0.0004624   0.0000115   0.0000000  -0.0001131   0.0007893
           HY16         -0.0000440   0.0000397   0.0000000  -0.0004733   0.0001557
           HZ16          0.0000000   0.0000000  -0.0002167   0.0000000   0.0000000
           HX17         -0.0000155   0.0000104   0.0000000  -0.0000239   0.0000881
           HY17          0.0000492   0.0000060   0.0000000  -0.0000049   0.0000317
           HZ17          0.0000000   0.0000000   0.0000060   0.0000000   0.0000000
           HX18         -0.0000239   0.0000881   0.0000000  -0.0000155   0.0000104
           HY18         -0.0000049   0.0000317   0.0000000   0.0000492   0.0000060
           HZ18          0.0000000   0.0000000   0.0003252   0.0000000   0.0000000
           HX19         -0.0000489  -0.0000140   0.0000000   0.0000989  -0.0000817
           HY19         -0.0000192   0.0000020   0.0000000  -0.0000324  -0.0000365
           HZ19          0.0000000   0.0000000   0.0000195   0.0000000   0.0000000
           HX20          0.0000989  -0.0000817   0.0000000  -0.0000489  -0.0000140
           HY20         -0.0000324  -0.0000365   0.0000000  -0.0000192   0.0000020
           HZ20          0.0000000   0.0000000  -0.0000939   0.0000000   0.0000000
                             HZ12        CX13        CY13        CZ13        CX14    
           HZ12          0.0283841
           CX13          0.0000000   0.8948826
           CY13          0.0000000  -0.1077091   0.8708765
           CZ13          0.0000303   0.0000000   0.0000000   0.1136935
           CX14          0.0000000   0.0001512  -0.0007892   0.0000000   0.8948826
           CY14          0.0000000  -0.0007892   0.0004591   0.0000000  -0.1077091
           CZ14          0.0001201   0.0000000   0.0000000   0.0000510   0.0000000
           HX15          0.0000000   0.0081829   0.0322780   0.0000000  -0.0000695
           HY15          0.0000000  -0.0095355  -0.0155081   0.0000000  -0.0000439
           HZ15         -0.0002167   0.0000000   0.0000000   0.0056975   0.0000000
           HX16          0.0000000  -0.0000695  -0.0001920   0.0000000   0.0081829
           HY16          0.0000000  -0.0000439  -0.0000254   0.0000000  -0.0095355
           HZ16         -0.0000363   0.0000000   0.0000000  -0.0000047   0.0000000
           HX17          0.0000000   0.0000485   0.0000405   0.0000000  -0.3800550
           HY17          0.0000000   0.0000105   0.0000336   0.0000000  -0.1029763
           HZ17          0.0003252   0.0000000   0.0000000  -0.0000168   0.0000000
           HX18          0.0000000  -0.3800550  -0.0997184   0.0000000   0.0000485
           HY18          0.0000000  -0.1029763  -0.1011233   0.0000000   0.0000105
           HZ18          0.0000060   0.0000000   0.0000000  -0.0353898   0.0000000
           HX19          0.0000000   0.0000244   0.0003117   0.0000000  -0.0839741
           HY19          0.0000000  -0.0001356  -0.0001560   0.0000000  -0.0565321
           HZ19         -0.0000939   0.0000000   0.0000000  -0.0000191   0.0000000
           HX20          0.0000000  -0.0839741  -0.0580814   0.0000000   0.0000244
           HY20          0.0000000  -0.0565321  -0.4009869   0.0000000  -0.0001356
           HZ20          0.0000195   0.0000000   0.0000000  -0.0385655   0.0000000
                             CY14        CZ14        HX15        HY15        HZ15    
           CY14          0.8708765
           CZ14          0.0000000   0.1136935
           HX15         -0.0001920   0.0000000   0.0879760
           HY15         -0.0000254   0.0000000   0.0749553   0.3968647
           HZ15          0.0000000  -0.0000047   0.0000000   0.0000000   0.0304604
           HX16          0.0322780   0.0000000   0.0000112  -0.0000085   0.0000000
           HY16         -0.0155081   0.0000000  -0.0000085  -0.0000093   0.0000000
           HZ16          0.0000000   0.0056975   0.0000000   0.0000000   0.0000149
           HX17         -0.0997184   0.0000000   0.0000106   0.0000029   0.0000000
           HY17         -0.1011233   0.0000000   0.0000037  -0.0000006   0.0000000
           HZ17          0.0000000  -0.0353898   0.0000000   0.0000000   0.0000043
           HX18          0.0000405   0.0000000   0.0016473  -0.0001462   0.0000000
           HY18          0.0000336   0.0000000  -0.0000181   0.0019415   0.0000000
           HZ18          0.0000000  -0.0000168   0.0000000   0.0000000  -0.0092939
           HX19         -0.0580814   0.0000000  -0.0000204   0.0000210   0.0000000
           HY19         -0.4009869   0.0000000  -0.0000345  -0.0000153   0.0000000
           HZ19          0.0000000  -0.0385655   0.0000000   0.0000000   0.0000010
           HX20          0.0003117   0.0000000  -0.0037166   0.0020868   0.0000000
           HY20         -0.0001560   0.0000000   0.0022357  -0.0005450   0.0000000
           HZ20          0.0000000  -0.0000191   0.0000000   0.0000000   0.0140513
                             HX16        HY16        HZ16        HX17        HY17    
           HX16          0.0879760
           HY16          0.0749553   0.3968647
           HZ16          0.0000000   0.0000000   0.0304604
           HX17          0.0016473  -0.0001462   0.0000000   0.3924173
           HY17         -0.0000181   0.0019415   0.0000000   0.1019583   0.0932177
           HZ17          0.0000000   0.0000000  -0.0092939   0.0000000   0.0000000
           HX18          0.0000106   0.0000029   0.0000000  -0.0000258  -0.0000199
           HY18          0.0000037  -0.0000006   0.0000000  -0.0000199  -0.0000187
           HZ18          0.0000000   0.0000000   0.0000043   0.0000000   0.0000000
           HX19         -0.0037166   0.0020868   0.0000000   0.0019007  -0.0299890
           HY19          0.0022357  -0.0005450   0.0000000   0.0074993  -0.0012717
           HZ19          0.0000000   0.0000000   0.0140513   0.0000000   0.0000000
           HX20         -0.0000204   0.0000210   0.0000000   0.0000058   0.0000319
           HY20         -0.0000345  -0.0000153   0.0000000   0.0000334   0.0000243
           HZ20          0.0000000   0.0000000   0.0000010   0.0000000   0.0000000
                             HZ17        HX18        HY18        HZ18        HX19    
           HZ17          0.0248666
           HX18          0.0000000   0.3924173
           HY18          0.0000000   0.1019583   0.0932177
           HZ18          0.0000270   0.0000000   0.0000000   0.0248666
           HX19          0.0000000   0.0000058   0.0000319   0.0000000   0.0752615
           HY19          0.0000000   0.0000334   0.0000243   0.0000000   0.0578151
           HZ19          0.0022695   0.0000000   0.0000000  -0.0000221   0.0000000
           HX20          0.0000000   0.0019007  -0.0299890   0.0000000   0.0000183
           HY20          0.0000000   0.0074993  -0.0012717   0.0000000   0.0000195
           HZ20         -0.0000221   0.0000000   0.0000000   0.0022695   0.0000000
                             HY19        HZ19        HX20        HY20        HZ20    
           HY19          0.4146857
           HZ19          0.0000000   0.0248719
           HX20          0.0000195   0.0000000   0.0752615
           HY20         -0.0000733   0.0000000   0.0578151   0.4146857
           HZ20          0.0000000   0.0000093   0.0000000   0.0000000   0.0248719


 Atomic Masses
   1- 10   12.011000   12.011000   12.011000   12.011000   12.011000   12.011000   12.011000   12.011000    1.007940    1.007940
  11- 20    1.007940    1.007940   12.011000   12.011000    1.007940    1.007940    1.007940    1.007940    1.007940    1.007940

 Mass weighted Second Derivative Matrix
                             CX1         CY1         CZ1         CX2         CY2     
           CX1           0.0587600
           CY1           0.0003249   0.0603887
           CZ1           0.0000000   0.0000000   0.0131434
           CX2          -0.0173974   0.0044042   0.0000000   0.0631268
           CY2           0.0114825  -0.0220433   0.0000000   0.0046539   0.0684380
           CZ2           0.0000000   0.0000000  -0.0055427   0.0000000   0.0000000
           CX3          -0.0045748   0.0066924   0.0000000  -0.0314826  -0.0073747
           CY3           0.0008514   0.0050894   0.0000000   0.0011709  -0.0128169
           CZ3           0.0000000   0.0000000   0.0005836   0.0000000   0.0000000
           CX4           0.0008663   0.0013135   0.0000000  -0.0013291  -0.0030796
           CY4           0.0013135  -0.0069881   0.0000000  -0.0090554   0.0017586
           CZ4           0.0000000   0.0000000  -0.0007454   0.0000000   0.0000000
           CX5          -0.0013291  -0.0090554   0.0000000  -0.0063865   0.0022590
           CY5          -0.0030796   0.0017586   0.0000000   0.0022590  -0.0006882
           CZ5           0.0000000   0.0000000   0.0005762   0.0000000   0.0000000
           CX6          -0.0129044  -0.0013901   0.0000000   0.0062389  -0.0004937
           CY6          -0.0081270  -0.0265658   0.0000000   0.0044261  -0.0049915
           CZ6           0.0000000   0.0000000  -0.0056154   0.0000000   0.0000000
           CX7          -0.0197628  -0.0022302   0.0000000  -0.0037180   0.0005345
           CY7          -0.0046879  -0.0102895   0.0000000   0.0026432   0.0005373
           CZ7           0.0000000   0.0000000  -0.0052751   0.0000000   0.0000000
           CX8          -0.0005060  -0.0000238   0.0000000   0.0008429  -0.0001392
           CY8           0.0001282  -0.0000205   0.0000000  -0.0000736  -0.0005351
           CZ8           0.0000000   0.0000000  -0.0000833   0.0000000   0.0000000
           HX9           0.0036685  -0.0040492   0.0000000  -0.0004403  -0.0007411
           HY9           0.0064107  -0.0042603   0.0000000  -0.0011764  -0.0010623
           HZ9           0.0000000   0.0000000   0.0007926   0.0000000   0.0000000
           HX10         -0.0011555  -0.0009656   0.0000000  -0.0039081   0.0081893
           HY10         -0.0005212   0.0000476   0.0000000  -0.0032334   0.0025861
           HZ10          0.0000000   0.0000000   0.0025406   0.0000000   0.0000000
           HX11          0.0028725   0.0067557   0.0000000  -0.0305526  -0.0316905
           HY11         -0.0038586  -0.0042279   0.0000000  -0.0316312  -0.1050635
           HZ11          0.0000000   0.0000000   0.0007049   0.0000000   0.0000000
           HX12         -0.0015079   0.0004329   0.0000000  -0.0001448   0.0001759
           HY12          0.0000112   0.0003494   0.0000000   0.0002244   0.0003048
           HZ12          0.0000000   0.0000000   0.0025296   0.0000000   0.0000000
           CX13         -0.0040275   0.0018055   0.0000000   0.0002326  -0.0005821
           CY13          0.0010817   0.0014432   0.0000000  -0.0005887   0.0000848
           CZ13          0.0000000   0.0000000   0.0004555   0.0000000   0.0000000
           CX14          0.0001543   0.0000669   0.0000000  -0.0001375   0.0001163
           CY14         -0.0001631   0.0000063   0.0000000   0.0002438  -0.0000535
           CZ14          0.0000000   0.0000000  -0.0000038   0.0000000   0.0000000
           HX15         -0.0019386  -0.0091372   0.0000000   0.0005203  -0.0006098
           HY15          0.0010584  -0.0007251   0.0000000   0.0007420   0.0004294
           HZ15          0.0000000   0.0000000   0.0006746   0.0000000   0.0000000
           HX16          0.0000490   0.0000060   0.0000000   0.0000908  -0.0004951
           HY16          0.0000172   0.0000465   0.0000000   0.0000523  -0.0000481
           HZ16          0.0000000   0.0000000   0.0000336   0.0000000   0.0000000
           HX17          0.0000350   0.0000472   0.0000000   0.0000035  -0.0000665
           HY17         -0.0000189   0.0000144   0.0000000   0.0000009   0.0000564
           HZ17          0.0000000   0.0000000   0.0000437   0.0000000   0.0000000
           HX18         -0.0000116   0.0007952   0.0000000  -0.0001150  -0.0001423
           HY18          0.0003616  -0.0009609   0.0000000   0.0002653   0.0002290
           HZ18          0.0000000   0.0000000   0.0037156   0.0000000   0.0000000
           HX19         -0.0000172   0.0000290   0.0000000   0.0000232  -0.0000576
           HY19         -0.0000334  -0.0000352   0.0000000  -0.0000006   0.0001053
           HZ19          0.0000000   0.0000000  -0.0000219   0.0000000   0.0000000
           HX20          0.0004956  -0.0004998   0.0000000   0.0000369  -0.0000278
           HY20         -0.0004053   0.0001581   0.0000000  -0.0000517  -0.0000282
           HZ20          0.0000000   0.0000000  -0.0023593   0.0000000   0.0000000
                             CZ2         CX3         CY3         CZ3         CX4     
           CZ2           0.0117557
           CX3           0.0000000   0.0663294
           CY3           0.0000000  -0.0055043   0.0653173
           CZ3          -0.0051951   0.0000000   0.0000000   0.0117471
           CX4           0.0000000  -0.0129044  -0.0081270   0.0000000   0.0587600
           CY4           0.0000000  -0.0013901  -0.0265658   0.0000000   0.0003249
           CZ4           0.0005762   0.0000000   0.0000000  -0.0056154   0.0000000
           CX5           0.0000000   0.0062389   0.0044261   0.0000000  -0.0173974
           CY5           0.0000000  -0.0004937  -0.0049915   0.0000000   0.0114825
           CZ5          -0.0005950   0.0000000   0.0000000   0.0005455   0.0000000
           CX6           0.0000000  -0.0042449  -0.0035269   0.0000000  -0.0045748
           CY6           0.0000000  -0.0035269  -0.0026507   0.0000000   0.0008514
           CZ6           0.0005455   0.0000000   0.0000000  -0.0005323   0.0000000
           CX7           0.0000000   0.0005729   0.0005201   0.0000000  -0.0005060
           CY7           0.0000000   0.0000771  -0.0004126   0.0000000   0.0001282
           CZ7           0.0003367   0.0000000   0.0000000   0.0006202   0.0000000
           CX8           0.0000000  -0.0021015  -0.0017674   0.0000000  -0.0197628
           CY8           0.0000000  -0.0027837   0.0001054   0.0000000  -0.0046879
           CZ8           0.0005694   0.0000000   0.0000000   0.0002281   0.0000000
           HX9           0.0000000   0.0000164  -0.0002776   0.0000000  -0.0011555
           HY9           0.0000000  -0.0002969   0.0001296   0.0000000  -0.0005212
           HZ9           0.0022115   0.0000000   0.0000000  -0.0002744   0.0000000
           HX10          0.0000000  -0.0572334   0.0476872   0.0000000   0.0036685
           HY10          0.0000000   0.0480344  -0.0789327   0.0000000   0.0064107
           HZ10          0.0010713   0.0000000   0.0000000  -0.0115622   0.0000000
           HX11          0.0000000  -0.0016971  -0.0095094   0.0000000  -0.0015079
           HY11          0.0000000   0.0017994   0.0004754   0.0000000   0.0000112
           HZ11         -0.0114570   0.0000000   0.0000000   0.0009589   0.0000000
           HX12          0.0000000  -0.0010470   0.0007127   0.0000000   0.0028725
           HY12          0.0000000   0.0011596  -0.0004576   0.0000000  -0.0038586
           HZ12         -0.0002600   0.0000000   0.0000000   0.0021228   0.0000000
           CX13          0.0000000  -0.0002724  -0.0000785   0.0000000   0.0001543
           CY13          0.0000000   0.0001274   0.0001631   0.0000000  -0.0001631
           CZ13          0.0001239   0.0000000   0.0000000  -0.0000048   0.0000000
           CX14          0.0000000   0.0003046   0.0005275   0.0000000  -0.0040275
           CY14          0.0000000  -0.0004199  -0.0004171   0.0000000   0.0010817
           CZ14         -0.0000426   0.0000000   0.0000000   0.0000235   0.0000000
           HX15          0.0000000   0.0000353   0.0000286   0.0000000   0.0000490
           HY15          0.0000000  -0.0000118  -0.0000347   0.0000000   0.0000172
           HZ15         -0.0002888   0.0000000   0.0000000  -0.0000216   0.0000000
           HX16          0.0000000  -0.0015214   0.0005275   0.0000000  -0.0019386
           HY16          0.0000000   0.0000260   0.0001998   0.0000000   0.0010584
           HZ16          0.0000175   0.0000000   0.0000000   0.0007191   0.0000000
           HX17          0.0000000   0.0001358   0.0000628   0.0000000  -0.0000116
           HY17          0.0000000  -0.0000372  -0.0001537   0.0000000   0.0003616
           HZ17         -0.0000960   0.0000000   0.0000000  -0.0001241   0.0000000
           HX18          0.0000000  -0.0000567   0.0001214   0.0000000   0.0000350
           HY18          0.0000000   0.0000168  -0.0000751   0.0000000  -0.0000189
           HZ18          0.0000082   0.0000000   0.0000000  -0.0002590   0.0000000
           HX19          0.0000000  -0.0003414   0.0003899   0.0000000   0.0004956
           HY19          0.0000000  -0.0003062   0.0001291   0.0000000  -0.0004053
           HZ19          0.0000528   0.0000000   0.0000000   0.0000869   0.0000000
           HX20          0.0000000   0.0000387  -0.0000172   0.0000000  -0.0000172
           HY20          0.0000000   0.0000028  -0.0000574   0.0000000  -0.0000334
           HZ20         -0.0000003   0.0000000   0.0000000   0.0000676   0.0000000
                             CY4         CZ4         CX5         CY5         CZ5     
           CY4           0.0603887
           CZ4           0.0000000   0.0131434
           CX5           0.0044042   0.0000000   0.0631268
           CY5          -0.0220433   0.0000000   0.0046539   0.0684380
           CZ5           0.0000000  -0.0055427   0.0000000   0.0000000   0.0117557
           CX6           0.0066924   0.0000000  -0.0314826  -0.0073747   0.0000000
           CY6           0.0050894   0.0000000   0.0011709  -0.0128169   0.0000000
           CZ6           0.0000000   0.0005836   0.0000000   0.0000000  -0.0051951
           CX7          -0.0000238   0.0000000   0.0008429  -0.0001392   0.0000000
           CY7          -0.0000205   0.0000000  -0.0000736  -0.0005351   0.0000000
           CZ7           0.0000000  -0.0000833   0.0000000   0.0000000   0.0005694
           CX8          -0.0022302   0.0000000  -0.0037180   0.0005345   0.0000000
           CY8          -0.0102895   0.0000000   0.0026432   0.0005373   0.0000000
           CZ8           0.0000000  -0.0052751   0.0000000   0.0000000   0.0003367
           HX9          -0.0009656   0.0000000  -0.0039081   0.0081893   0.0000000
           HY9           0.0000476   0.0000000  -0.0032334   0.0025861   0.0000000
           HZ9           0.0000000   0.0025406   0.0000000   0.0000000   0.0010713
           HX10         -0.0040492   0.0000000  -0.0004403  -0.0007411   0.0000000
           HY10         -0.0042603   0.0000000  -0.0011764  -0.0010623   0.0000000
           HZ10          0.0000000   0.0007926   0.0000000   0.0000000   0.0022115
           HX11          0.0004329   0.0000000  -0.0001448   0.0001759   0.0000000
           HY11          0.0003494   0.0000000   0.0002244   0.0003048   0.0000000
           HZ11          0.0000000   0.0025296   0.0000000   0.0000000  -0.0002600
           HX12          0.0067557   0.0000000  -0.0305526  -0.0316905   0.0000000
           HY12         -0.0042279   0.0000000  -0.0316312  -0.1050635   0.0000000
           HZ12          0.0000000   0.0007049   0.0000000   0.0000000  -0.0114570
           CX13          0.0000669   0.0000000  -0.0001375   0.0001163   0.0000000
           CY13          0.0000063   0.0000000   0.0002438  -0.0000535   0.0000000
           CZ13          0.0000000  -0.0000038   0.0000000   0.0000000  -0.0000426
           CX14          0.0018055   0.0000000   0.0002326  -0.0005821   0.0000000
           CY14          0.0014432   0.0000000  -0.0005887   0.0000848   0.0000000
           CZ14          0.0000000   0.0004555   0.0000000   0.0000000   0.0001239
           HX15          0.0000060   0.0000000   0.0000908  -0.0004951   0.0000000
           HY15          0.0000465   0.0000000   0.0000523  -0.0000481   0.0000000
           HZ15          0.0000000   0.0000336   0.0000000   0.0000000   0.0000175
           HX16         -0.0091372   0.0000000   0.0005203  -0.0006098   0.0000000
           HY16         -0.0007251   0.0000000   0.0007420   0.0004294   0.0000000
           HZ16          0.0000000   0.0006746   0.0000000   0.0000000  -0.0002888
           HX17          0.0007952   0.0000000  -0.0001150  -0.0001423   0.0000000
           HY17         -0.0009609   0.0000000   0.0002653   0.0002290   0.0000000
           HZ17          0.0000000   0.0037156   0.0000000   0.0000000   0.0000082
           HX18          0.0000472   0.0000000   0.0000035  -0.0000665   0.0000000
           HY18          0.0000144   0.0000000   0.0000009   0.0000564   0.0000000
           HZ18          0.0000000   0.0000437   0.0000000   0.0000000  -0.0000960
           HX19         -0.0004998   0.0000000   0.0000369  -0.0000278   0.0000000
           HY19          0.0001581   0.0000000  -0.0000517  -0.0000282   0.0000000
           HZ19          0.0000000  -0.0023593   0.0000000   0.0000000  -0.0000003
           HX20          0.0000290   0.0000000   0.0000232  -0.0000576   0.0000000
           HY20         -0.0000352   0.0000000  -0.0000006   0.0001053   0.0000000
           HZ20          0.0000000  -0.0000219   0.0000000   0.0000000   0.0000528
                             CX6         CY6         CZ6         CX7         CY7     
           CX6           0.0663294
           CY6          -0.0055043   0.0653173
           CZ6           0.0000000   0.0000000   0.0117471
           CX7          -0.0021015  -0.0017674   0.0000000   0.0643661
           CY7          -0.0027837   0.0001054   0.0000000  -0.0117893   0.0731392
           CZ7           0.0000000   0.0000000   0.0002281   0.0000000   0.0000000
           CX8           0.0005729   0.0005201   0.0000000   0.0002701  -0.0000677
           CY8           0.0000771  -0.0004126   0.0000000  -0.0000677  -0.0000125
           CZ8           0.0000000   0.0000000   0.0006202   0.0000000   0.0000000
           HX9          -0.0572334   0.0476872   0.0000000  -0.0000137   0.0003282
           HY9           0.0480344  -0.0789327   0.0000000   0.0004896   0.0003695
           HZ9           0.0000000   0.0000000  -0.0115622   0.0000000   0.0000000
           HX10          0.0000164  -0.0002776   0.0000000  -0.0000923   0.0003963
           HY10         -0.0002969   0.0001296   0.0000000  -0.0000649   0.0001379
           HZ10          0.0000000   0.0000000  -0.0002744   0.0000000   0.0000000
           HX11         -0.0010470   0.0007127   0.0000000   0.0004746   0.0006059
           HY11          0.0011596  -0.0004576   0.0000000  -0.0006706   0.0004662
           HZ11          0.0000000   0.0000000   0.0021228   0.0000000   0.0000000
           HX12         -0.0016971  -0.0095094   0.0000000   0.0000571  -0.0004380
           HY12          0.0017994   0.0004754   0.0000000   0.0000245   0.0000285
           HZ12          0.0000000   0.0000000   0.0009589   0.0000000   0.0000000
           CX13          0.0003046   0.0005275   0.0000000  -0.0326360   0.0212034
           CY13         -0.0004199  -0.0004171   0.0000000   0.0193051  -0.0306788
           CZ13          0.0000000   0.0000000   0.0000235   0.0000000   0.0000000
           CX14         -0.0002724  -0.0000785   0.0000000  -0.0000803   0.0000200
           CY14          0.0001274   0.0001631   0.0000000   0.0001097   0.0000080
           CZ14          0.0000000   0.0000000  -0.0000048   0.0000000   0.0000000
           HX15         -0.0015214   0.0005275   0.0000000  -0.0241063  -0.0219520
           HY15          0.0000260   0.0001998   0.0000000  -0.0211117  -0.1099609
           HZ15          0.0000000   0.0000000   0.0007191   0.0000000   0.0000000
           HX16          0.0000353   0.0000286   0.0000000   0.0000139   0.0000066
           HY16         -0.0000118  -0.0000347   0.0000000   0.0000047   0.0000078
           HZ16          0.0000000   0.0000000  -0.0000216   0.0000000   0.0000000
           HX17         -0.0000567   0.0001214   0.0000000  -0.0000145  -0.0000289
           HY17          0.0000168  -0.0000751   0.0000000  -0.0000108  -0.0000216
           HZ17          0.0000000   0.0000000  -0.0002590   0.0000000   0.0000000
           HX18          0.0001358   0.0000628   0.0000000  -0.0045668  -0.0035875
           HY18         -0.0000372  -0.0001537   0.0000000   0.0082210   0.0028645
           HZ18          0.0000000   0.0000000  -0.0001241   0.0000000   0.0000000
           HX19          0.0000387  -0.0000172   0.0000000  -0.0000080   0.0000582
           HY19          0.0000028  -0.0000574   0.0000000   0.0000293   0.0000332
           HZ19          0.0000000   0.0000000   0.0000676   0.0000000   0.0000000
           HX20         -0.0003414   0.0003899   0.0000000   0.0032379   0.0084914
           HY20         -0.0003062   0.0001291   0.0000000  -0.0022786  -0.0038401
           HZ20          0.0000000   0.0000000   0.0000869   0.0000000   0.0000000
                             CZ7         CX8         CY8         CZ8         HX9     
           CZ7           0.0115319
           CX8           0.0000000   0.0643661
           CY8           0.0000000  -0.0117893   0.0731392
           CZ8          -0.0000890   0.0000000   0.0000000   0.0115319
           HX9           0.0000000  -0.0000923   0.0003963   0.0000000   0.2045576
           HY9           0.0000000  -0.0000649   0.0001379   0.0000000  -0.1721043
           HZ9          -0.0011269   0.0000000   0.0000000   0.0000129   0.0000000
           HX10          0.0000000  -0.0000137   0.0003282   0.0000000  -0.0000113
           HY10          0.0000000   0.0004896   0.0003695   0.0000000   0.0002347
           HZ10          0.0000129   0.0000000   0.0000000  -0.0011269   0.0000000
           HX11          0.0000000   0.0000571  -0.0004380   0.0000000   0.0006100
           HY11          0.0000000   0.0000245   0.0000285   0.0000000  -0.0006753
           HZ11         -0.0011111   0.0000000   0.0000000   0.0000444   0.0000000
           HX12          0.0000000   0.0004746   0.0006059   0.0000000   0.0018205
           HY12          0.0000000  -0.0006706   0.0004662   0.0000000   0.0002119
           HZ12          0.0000444   0.0000000   0.0000000  -0.0011111   0.0000000
           CX13          0.0000000  -0.0000803   0.0000200   0.0000000  -0.0002514
           CY13          0.0000000   0.0001097   0.0000080   0.0000000  -0.0006010
           CZ13         -0.0043716   0.0000000   0.0000000   0.0000070   0.0000000
           CX14          0.0000000  -0.0326360   0.0212034   0.0000000  -0.0001043
           CY14          0.0000000   0.0193051  -0.0306788   0.0000000  -0.0000878
           CZ14          0.0000070   0.0000000   0.0000000  -0.0043716   0.0000000
           HX15          0.0000000   0.0000139   0.0000066   0.0000000   0.0000079
           HY15          0.0000000   0.0000047   0.0000078   0.0000000   0.0000442
           HZ15         -0.0128187   0.0000000   0.0000000   0.0000076   0.0000000
           HX16          0.0000000  -0.0241063  -0.0219520   0.0000000  -0.0000072
           HY16          0.0000000  -0.0211117  -0.1099609   0.0000000   0.0000256
           HZ16          0.0000076   0.0000000   0.0000000  -0.0128187   0.0000000
           HX17          0.0000000  -0.0045668  -0.0035875   0.0000000  -0.0000597
           HY17          0.0000000   0.0082210   0.0028645   0.0000000   0.0001097
           HZ17         -0.0000024   0.0000000   0.0000000   0.0016223   0.0000000
           HX18          0.0000000  -0.0000145  -0.0000289   0.0000000   0.0001208
           HY18          0.0000000  -0.0000108  -0.0000216   0.0000000   0.0002282
           HZ18          0.0016223   0.0000000   0.0000000  -0.0000024   0.0000000
           HX19          0.0000000   0.0032379   0.0084914   0.0000000   0.0000097
           HY19          0.0000000  -0.0022786  -0.0038401   0.0000000  -0.0000117
           HZ19          0.0000200   0.0000000   0.0000000   0.0013587   0.0000000
           HX20          0.0000000  -0.0000080   0.0000582   0.0000000  -0.0016049
           HY20          0.0000000   0.0000293   0.0000332   0.0000000  -0.0002453
           HZ20          0.0013587   0.0000000   0.0000000   0.0000200   0.0000000
                             HY9         HZ9         HX10        HY10        HZ10    
           HY9           0.2781496
           HZ9           0.0000000   0.0274283
           HX10          0.0002347   0.0000000   0.2045576
           HY10         -0.0000538   0.0000000  -0.1721043   0.2781496
           HZ10          0.0000000  -0.0011725   0.0000000   0.0000000   0.0274283
           HX11          0.0011199   0.0000000   0.0018205  -0.0000198   0.0000000
           HY11         -0.0007935   0.0000000   0.0002119   0.0011799   0.0000000
           HZ11          0.0000000   0.0001453   0.0000000   0.0000000  -0.0050735
           HX12         -0.0000198   0.0000000   0.0006100   0.0011199   0.0000000
           HY12          0.0011799   0.0000000  -0.0006753  -0.0007935   0.0000000
           HZ12          0.0000000  -0.0050735   0.0000000   0.0000000   0.0001453
           CX13          0.0002167   0.0000000  -0.0001043  -0.0000377   0.0000000
           CY13         -0.0000063   0.0000000  -0.0000878  -0.0000185   0.0000000
           CZ13          0.0000000   0.0000903   0.0000000   0.0000000  -0.0000322
           CX14         -0.0000377   0.0000000  -0.0002514   0.0002167   0.0000000
           CY14         -0.0000185   0.0000000  -0.0006010  -0.0000063   0.0000000
           CZ14          0.0000000  -0.0000322   0.0000000   0.0000000   0.0000903
           HX15          0.0000085   0.0000000  -0.0000072   0.0000090   0.0000000
           HY15          0.0001228   0.0000000   0.0000256   0.0000110   0.0000000
           HZ15          0.0000000  -0.0000619   0.0000000   0.0000000   0.0000125
           HX16          0.0000090   0.0000000   0.0000079   0.0000085   0.0000000
           HY16          0.0000110   0.0000000   0.0000442   0.0001228   0.0000000
           HZ16          0.0000000   0.0000125   0.0000000   0.0000000  -0.0000619
           HX17         -0.0000383   0.0000000   0.0001208   0.0000273   0.0000000
           HY17          0.0000372   0.0000000   0.0002282   0.0003242   0.0000000
           HZ17          0.0000000   0.0000075   0.0000000   0.0000000   0.0001374
           HX18          0.0000273   0.0000000  -0.0000597  -0.0000383   0.0000000
           HY18          0.0003242   0.0000000   0.0001097   0.0000372   0.0000000
           HZ18          0.0000000   0.0001374   0.0000000   0.0000000   0.0000075
           HX19          0.0000189   0.0000000  -0.0016049  -0.0012380   0.0000000
           HY19         -0.0000033   0.0000000  -0.0002453   0.0006711   0.0000000
           HZ19          0.0000000  -0.0000131   0.0000000   0.0000000   0.0002569
           HX20         -0.0012380   0.0000000   0.0000097   0.0000189   0.0000000
           HY20          0.0006711   0.0000000  -0.0000117  -0.0000033   0.0000000
           HZ20          0.0000000   0.0002569   0.0000000   0.0000000  -0.0000131
                             HX11        HY11        HZ11        HX12        HY12    
           HX11          0.1069146
           HY11          0.1136593   0.3726776
           HZ11          0.0000000   0.0000000   0.0281605
           HX12          0.0001165  -0.0001671   0.0000000   0.1069146
           HY12         -0.0001671  -0.0001810   0.0000000   0.1136593   0.3726776
           HZ12          0.0000000   0.0000000  -0.0010593   0.0000000   0.0000000
           CX13         -0.0000234  -0.0000280   0.0000000   0.0000215  -0.0000045
           CY13         -0.0000890   0.0000446   0.0000000  -0.0000012   0.0000039
           CZ13          0.0000000   0.0000000   0.0000345   0.0000000   0.0000000
           CX14          0.0000215  -0.0000045   0.0000000  -0.0000234  -0.0000280
           CY14         -0.0000012   0.0000039   0.0000000  -0.0000890   0.0000446
           CZ14          0.0000000   0.0000000   0.0000087   0.0000000   0.0000000
           HX15         -0.0001122   0.0007830   0.0000000  -0.0004587   0.0000115
           HY15         -0.0004695   0.0001545   0.0000000  -0.0000437   0.0000394
           HZ15          0.0000000   0.0000000  -0.0000361   0.0000000   0.0000000
           HX16         -0.0004587   0.0000115   0.0000000  -0.0001122   0.0007830
           HY16         -0.0000437   0.0000394   0.0000000  -0.0004695   0.0001545
           HZ16          0.0000000   0.0000000  -0.0002150   0.0000000   0.0000000
           HX17         -0.0000154   0.0000103   0.0000000  -0.0000238   0.0000874
           HY17          0.0000488   0.0000060   0.0000000  -0.0000049   0.0000315
           HZ17          0.0000000   0.0000000   0.0000060   0.0000000   0.0000000
           HX18         -0.0000238   0.0000874   0.0000000  -0.0000154   0.0000103
           HY18         -0.0000049   0.0000315   0.0000000   0.0000488   0.0000060
           HZ18          0.0000000   0.0000000   0.0003226   0.0000000   0.0000000
           HX19         -0.0000485  -0.0000139   0.0000000   0.0000982  -0.0000810
           HY19         -0.0000191   0.0000019   0.0000000  -0.0000322  -0.0000362
           HZ19          0.0000000   0.0000000   0.0000194   0.0000000   0.0000000
           HX20          0.0000982  -0.0000810   0.0000000  -0.0000485  -0.0000139
           HY20         -0.0000322  -0.0000362   0.0000000  -0.0000191   0.0000019
           HZ20          0.0000000   0.0000000  -0.0000931   0.0000000   0.0000000
                             HZ12        CX13        CY13        CZ13        CX14    
           HZ12          0.0281605
           CX13          0.0000000   0.0745053
           CY13          0.0000000  -0.0089675   0.0725066
           CZ13          0.0000087   0.0000000   0.0000000   0.0094658
           CX14          0.0000000   0.0000126  -0.0000657   0.0000000   0.0745053
           CY14          0.0000000  -0.0000657   0.0000382   0.0000000  -0.0089675
           CZ14          0.0000345   0.0000000   0.0000000   0.0000042   0.0000000
           HX15          0.0000000   0.0023518   0.0092768   0.0000000  -0.0000200
           HY15          0.0000000  -0.0027405  -0.0044571   0.0000000  -0.0000126
           HZ15         -0.0002150   0.0000000   0.0000000   0.0016375   0.0000000
           HX16          0.0000000  -0.0000200  -0.0000552   0.0000000   0.0023518
           HY16          0.0000000  -0.0000126  -0.0000073   0.0000000  -0.0027405
           HZ16         -0.0000361   0.0000000   0.0000000  -0.0000014   0.0000000
           HX17          0.0000000   0.0000139   0.0000116   0.0000000  -0.1092294
           HY17          0.0000000   0.0000030   0.0000097   0.0000000  -0.0295958
           HZ17          0.0003226   0.0000000   0.0000000  -0.0000048   0.0000000
           HX18          0.0000000  -0.1092294  -0.0286595   0.0000000   0.0000139
           HY18          0.0000000  -0.0295958  -0.0290633   0.0000000   0.0000030
           HZ18          0.0000060   0.0000000   0.0000000  -0.0101712   0.0000000
           HX19          0.0000000   0.0000070   0.0000896   0.0000000  -0.0241345
           HY19          0.0000000  -0.0000390  -0.0000448   0.0000000  -0.0162476
           HZ19         -0.0000931   0.0000000   0.0000000  -0.0000055   0.0000000
           HX20          0.0000000  -0.0241345  -0.0166928   0.0000000   0.0000070
           HY20          0.0000000  -0.0162476  -0.1152453   0.0000000  -0.0000390
           HZ20          0.0000194   0.0000000   0.0000000  -0.0110839   0.0000000
                             CY14        CZ14        HX15        HY15        HZ15    
           CY14          0.0725066
           CZ14          0.0000000   0.0094658
           HX15         -0.0000552   0.0000000   0.0872830
           HY15         -0.0000073   0.0000000   0.0743648   0.3937385
           HZ15          0.0000000  -0.0000014   0.0000000   0.0000000   0.0302204
           HX16          0.0092768   0.0000000   0.0000111  -0.0000084   0.0000000
           HY16         -0.0044571   0.0000000  -0.0000084  -0.0000093   0.0000000
           HZ16          0.0000000   0.0016375   0.0000000   0.0000000   0.0000148
           HX17         -0.0286595   0.0000000   0.0000105   0.0000029   0.0000000
           HY17         -0.0290633   0.0000000   0.0000037  -0.0000006   0.0000000
           HZ17          0.0000000  -0.0101712   0.0000000   0.0000000   0.0000042
           HX18          0.0000116   0.0000000   0.0016343  -0.0001450   0.0000000
           HY18          0.0000097   0.0000000  -0.0000179   0.0019262   0.0000000
           HZ18          0.0000000  -0.0000048   0.0000000   0.0000000  -0.0092207
           HX19         -0.0166928   0.0000000  -0.0000202   0.0000209   0.0000000
           HY19         -0.1152453   0.0000000  -0.0000343  -0.0000151   0.0000000
           HZ19          0.0000000  -0.0110839   0.0000000   0.0000000   0.0000010
           HX20          0.0000896   0.0000000  -0.0036873   0.0020704   0.0000000
           HY20         -0.0000448   0.0000000   0.0022181  -0.0005407   0.0000000
           HZ20          0.0000000  -0.0000055   0.0000000   0.0000000   0.0139406
                             HX16        HY16        HZ16        HX17        HY17    
           HX16          0.0872830
           HY16          0.0743648   0.3937385
           HZ16          0.0000000   0.0000000   0.0302204
           HX17          0.0016343  -0.0001450   0.0000000   0.3893261
           HY17         -0.0000179   0.0019262   0.0000000   0.1011551   0.0924834
           HZ17          0.0000000   0.0000000  -0.0092207   0.0000000   0.0000000
           HX18          0.0000105   0.0000029   0.0000000  -0.0000256  -0.0000198
           HY18          0.0000037  -0.0000006   0.0000000  -0.0000198  -0.0000186
           HZ18          0.0000000   0.0000000   0.0000042   0.0000000   0.0000000
           HX19         -0.0036873   0.0020704   0.0000000   0.0018857  -0.0297528
           HY19          0.0022181  -0.0005407   0.0000000   0.0074402  -0.0012617
           HZ19          0.0000000   0.0000000   0.0139406   0.0000000   0.0000000
           HX20         -0.0000202   0.0000209   0.0000000   0.0000058   0.0000316
           HY20         -0.0000343  -0.0000151   0.0000000   0.0000331   0.0000241
           HZ20          0.0000000   0.0000000   0.0000010   0.0000000   0.0000000
                             HZ17        HX18        HY18        HZ18        HX19    
           HZ17          0.0246707
           HX18          0.0000000   0.3893261
           HY18          0.0000000   0.1011551   0.0924834
           HZ18          0.0000268   0.0000000   0.0000000   0.0246707
           HX19          0.0000000   0.0000058   0.0000316   0.0000000   0.0746686
           HY19          0.0000000   0.0000331   0.0000241   0.0000000   0.0573597
           HZ19          0.0022516   0.0000000   0.0000000  -0.0000219   0.0000000
           HX20          0.0000000   0.0018857  -0.0297528   0.0000000   0.0000181
           HY20          0.0000000   0.0074402  -0.0012617   0.0000000   0.0000193
           HZ20         -0.0000219   0.0000000   0.0000000   0.0022516   0.0000000
                             HY19        HZ19        HX20        HY20        HZ20    
           HY19          0.4114191
           HZ19          0.0000000   0.0246759
           HX20          0.0000193   0.0000000   0.0746686
           HY20         -0.0000727   0.0000000   0.0573597   0.4114191
           HZ20          0.0000000   0.0000092   0.0000000   0.0000000   0.0246759


 Mass Weighted 2nd Derivative Matrix Eigenvalues
   1- 10    0.000000    0.000000    0.000000    0.000000    0.000000    0.000000    0.000096    0.000265    0.000872    0.001379
  11- 20    0.002783    0.003397    0.006295    0.006792    0.008280    0.009144    0.012978    0.016296    0.017175    0.018834
  21- 30    0.020748    0.024807    0.028252    0.030199    0.030375    0.036235    0.036246    0.039199    0.040638    0.043581
  31- 40    0.046528    0.046541    0.047049    0.047833    0.055053    0.060342    0.062469    0.063687    0.069105    0.074304
  41- 50    0.077690    0.078149    0.086938    0.094080    0.095318    0.101846    0.108287    0.114489    0.125308    0.125484
  51- 60    0.436287    0.436479    0.446597    0.446608    0.449063    0.449961    0.454264    0.455025    0.476069    0.476072

 Mass Weighted 2nd Derivative Matrix Eigenvectors
                   1             2             3             4             5             6             7             8
         1     0.3044713     0.0139972    -0.0015510    -0.0014286    -0.0027417    -0.0115208     0.0000000     0.0000000
         2    -0.0185250     0.2387669     0.1224468     0.0037805     0.1538312     0.1569811     0.0000000     0.0000000
         3     0.0193929    -0.1848575     0.0255748    -0.0622139    -0.0366441     0.3009136    -0.1556400    -0.1886952
         4     0.3183820    -0.0372183    -0.0935152     0.0674778     0.0172772    -0.0193797     0.0000000     0.0000000
         5    -0.0065682     0.1947448     0.0433994     0.0630087     0.1710383     0.1502260     0.0000000     0.0000000
         6     0.0182138    -0.1127293     0.1024110     0.1781968    -0.2952631     0.3787751    -0.2010524     0.0905961
         7     0.3154462    -0.0264097    -0.0741070     0.0529358     0.0130524    -0.0177211     0.0000000     0.0000000
         8     0.0112733     0.1290570    -0.0745517     0.1513864     0.1967141     0.1401463     0.0000000     0.0000000
         9     0.0161958    -0.1350367     0.1990973     0.2539471    -0.2153456     0.2569120    -0.1877154     0.2909155
        10     0.2983982     0.0363567     0.0385983    -0.0315115    -0.0114815    -0.0080897     0.0000000     0.0000000
        11     0.0179983     0.1042971    -0.1190112     0.1846989     0.2063922     0.1363469     0.0000000     0.0000000
        12     0.0152611    -0.2308704     0.2234537     0.0920984     0.1282003     0.0508110    -0.1556400     0.1886952
        13     0.2844875     0.0875722     0.1305625    -0.1004180    -0.0315004    -0.0002308     0.0000000     0.0000000
        14     0.0060415     0.1483192    -0.0399638     0.1254706     0.1891850     0.1431020     0.0000000     0.0000000
        15     0.0164402    -0.3029986     0.1466174    -0.1483123     0.3868194    -0.0270506    -0.2010524    -0.0905961
        16     0.2874233     0.0767636     0.1111543    -0.0858759    -0.0272756    -0.0018894     0.0000000     0.0000000
        17    -0.0118000     0.2140070     0.0779872     0.0370929     0.1635092     0.1531817     0.0000000     0.0000000
        18     0.0184582    -0.2806912     0.0499312    -0.2240626     0.3069019     0.0948125    -0.1877154    -0.2909155
        19     0.3083205    -0.0001748    -0.0269987     0.0176387     0.0027978    -0.0136954     0.0000000     0.0000000
        20    -0.0374494     0.3084413     0.2475564    -0.0899610     0.1265971     0.1676725     0.0000000     0.0000000
        21     0.0215414    -0.1571633    -0.0764218    -0.1337784    -0.1358698     0.4375611    -0.0400133    -0.3049810
        22     0.2945490     0.0505287     0.0640460    -0.0505788    -0.0170210    -0.0059151     0.0000000     0.0000000
        23     0.0369227     0.0346227    -0.2441208     0.2784404     0.2336262     0.1256555     0.0000000     0.0000000
        24     0.0131126    -0.2585646     0.3254503     0.1636629     0.2274261    -0.0858365    -0.0400133     0.3049810
        25     0.0800652     0.0340092     0.0533378    -0.0407152    -0.0125027     0.0012591     0.0000000     0.0000000
        26    -0.0059845     0.0714428     0.0395568    -0.0019662     0.0436734     0.0458244     0.0000000     0.0000000
        27     0.0055978    -0.0979544    -0.0021868    -0.1190350     0.1485753     0.0086266    -0.0582613    -0.1582184
        28     0.0945778    -0.0194224    -0.0426057     0.0311729     0.0083825    -0.0069399     0.0000000     0.0000000
        29     0.0058319     0.0279381    -0.0385616     0.0565660     0.0606783     0.0391487     0.0000000     0.0000000
        30     0.0044410    -0.0224763     0.0743269     0.1276921    -0.1220527     0.0932631    -0.0582613     0.1582184
        31     0.0960801    -0.0249534    -0.0525374     0.0386144     0.0105444    -0.0077887     0.0000000     0.0000000
        32    -0.0033263     0.0616561     0.0219835     0.0112011     0.0474988     0.0443226     0.0000000     0.0000000
        33     0.0054768    -0.0110512     0.0246936     0.0887535    -0.1629836     0.1557697    -0.0626314     0.0528431
        34     0.0785629     0.0395403     0.0632695    -0.0481567    -0.0146646     0.0021078     0.0000000     0.0000000
        35     0.0031737     0.0377248    -0.0209883     0.0433988     0.0568529     0.0406504     0.0000000     0.0000000
        36     0.0045620    -0.1093795     0.0474465    -0.0800963     0.1895062    -0.0538799    -0.0626314    -0.0528431
        37     0.2967509     0.0424216     0.0494887    -0.0396714    -0.0138521    -0.0071591     0.0000000     0.0000000
        38    -0.0503593     0.3559724     0.3329046    -0.1539104     0.1080183     0.1749661     0.0000000     0.0000000
        39     0.0228521    -0.2161213    -0.1567668    -0.3521478     0.0755364     0.3881548     0.5229544     0.3222518
        40     0.3061186     0.0079322    -0.0124415     0.0067313    -0.0003710    -0.0124514     0.0000000     0.0000000
        41     0.0498326    -0.0129084    -0.3294691     0.3423897     0.2522050     0.1183619     0.0000000     0.0000000
        42     0.0118019    -0.1996067     0.4057953     0.3820323     0.0160199    -0.0364302     0.5229544    -0.3222518
        43     0.0933225    -0.0148008    -0.0343071     0.0249549     0.0065760    -0.0062308     0.0000000     0.0000000
        44    -0.0117702     0.0927443     0.0778064    -0.0306256     0.0353471     0.0490931     0.0000000     0.0000000
        45     0.0063866    -0.0232362    -0.0242098     0.0033727    -0.1192738     0.1717788    -0.1135588    -0.2494096
        46     0.0813204     0.0293877     0.0450391    -0.0344972    -0.0106962     0.0005499     0.0000000     0.0000000
        47     0.0116176     0.0066366    -0.0768112     0.0852255     0.0690046     0.0358800     0.0000000     0.0000000
        48     0.0036522    -0.0971944     0.0963499     0.0052844     0.1457963    -0.0698891    -0.1135588     0.2494096
        49     0.0874850     0.0066915     0.0042851    -0.0039613    -0.0018248    -0.0029328     0.0000000     0.0000000
        50     0.0183532    -0.0181623    -0.1213409     0.1185905     0.0786979     0.0320746     0.0000000     0.0000000
        51     0.0029698    -0.0657307     0.1383664     0.1207476     0.0329771    -0.0428240     0.1729164    -0.0636517
        52     0.0871580     0.0078954     0.0064469    -0.0055810    -0.0022954    -0.0027481     0.0000000     0.0000000
        53    -0.0185058     0.1175432     0.1223361    -0.0639906     0.0256538     0.0528984     0.0000000     0.0000000
        54     0.0070690    -0.0546999    -0.0662263    -0.1120904    -0.0064545     0.1447138     0.1729164     0.0636517
        55     0.0927205    -0.0125843    -0.0303271     0.0219728     0.0057096    -0.0058907     0.0000000     0.0000000
        56     0.0137828    -0.0013353    -0.0911258     0.0959511     0.0721206     0.0346567     0.0000000     0.0000000
        57     0.0035357    -0.0354283     0.1169983     0.1548926    -0.0756440     0.0334396     0.2737188    -0.2839242
        58     0.0819225     0.0271712     0.0410591    -0.0315151    -0.0098299     0.0002098     0.0000000     0.0000000
        59    -0.0139354     0.1007162     0.0921211    -0.0413512     0.0322311     0.0503163     0.0000000     0.0000000
        60     0.0065031    -0.0850024    -0.0448582    -0.1462355     0.1021666     0.0684502     0.2737188     0.2839242
                   9            10            11            12            13            14            15            16
         1     0.0000000    -0.0349764     0.0893014     0.0000000     0.2082249     0.0000000     0.0000000    -0.1160408
         2     0.0000000    -0.1983405    -0.2320726     0.0000000     0.2200215     0.0000000     0.0000000     0.0756974
         3    -0.0700295     0.0000000     0.0000000     0.4106126     0.0000000    -0.0388386     0.4567840     0.0000000
         4     0.0000000    -0.0465897     0.1934518     0.0000000    -0.0870804     0.0000000     0.0000000    -0.1709831
         5     0.0000000    -0.2179107    -0.1254001     0.0000000     0.0120954     0.0000000     0.0000000     0.1392198
         6    -0.1928501     0.0000000     0.0000000     0.2708334     0.0000000    -0.4185491    -0.2159134     0.0000000
         7     0.0000000    -0.0214334     0.1303378     0.0000000    -0.1042097     0.0000000     0.0000000    -0.2028084
         8     0.0000000    -0.2141389     0.1539302     0.0000000    -0.2463693     0.0000000     0.0000000     0.1447650
         9    -0.2248793     0.0000000     0.0000000    -0.2215448     0.0000000     0.4331749    -0.1384638     0.0000000
        10     0.0000000    -0.0349764    -0.0893014     0.0000000    -0.2082249     0.0000000     0.0000000    -0.1160408
        11     0.0000000    -0.1983405     0.2320726     0.0000000    -0.2200215     0.0000000     0.0000000     0.0756974
        12    -0.0700295     0.0000000     0.0000000    -0.4106126     0.0000000    -0.0388386     0.4567840     0.0000000
        13     0.0000000    -0.0465897    -0.1934518     0.0000000     0.0870804     0.0000000     0.0000000    -0.1709831
        14     0.0000000    -0.2179107     0.1254001     0.0000000    -0.0120954     0.0000000     0.0000000     0.1392198
        15    -0.1928501     0.0000000     0.0000000    -0.2708334     0.0000000    -0.4185491    -0.2159134     0.0000000
        16     0.0000000    -0.0214334    -0.1303378     0.0000000     0.1042097     0.0000000     0.0000000    -0.2028084
        17     0.0000000    -0.2141389    -0.1539302     0.0000000     0.2463693     0.0000000     0.0000000     0.1447650
        18    -0.2248793     0.0000000     0.0000000     0.2215448     0.0000000     0.4331749    -0.1384638     0.0000000
        19     0.0000000    -0.0981129     0.0905760     0.0000000     0.3795140     0.0000000     0.0000000     0.0535143
        20     0.0000000     0.1121873    -0.1006055     0.0000000    -0.0105677     0.0000000     0.0000000    -0.3335266
        21     0.4367136     0.0000000     0.0000000    -0.1240638     0.0000000     0.0091327     0.1492809     0.0000000
        22     0.0000000    -0.0981129    -0.0905760     0.0000000    -0.3795140     0.0000000     0.0000000     0.0535143
        23     0.0000000     0.1121873     0.1006055     0.0000000     0.0105677     0.0000000     0.0000000    -0.3335266
        24     0.4367136     0.0000000     0.0000000     0.1240638     0.0000000     0.0091327     0.1492809     0.0000000
        25     0.0000000    -0.0024783    -0.0827222     0.0000000     0.0356231     0.0000000     0.0000000    -0.0575454
        26     0.0000000    -0.0605678    -0.0826707     0.0000000     0.0748878     0.0000000     0.0000000     0.0434139
        27    -0.0576946     0.0000000     0.0000000     0.0835893     0.0000000     0.2825912    -0.1900595     0.0000000
        28     0.0000000    -0.0024783     0.0827222     0.0000000    -0.0356231     0.0000000     0.0000000    -0.0575454
        29     0.0000000    -0.0605678     0.0826707     0.0000000    -0.0748878     0.0000000     0.0000000     0.0434139
        30    -0.0576946     0.0000000     0.0000000    -0.0835893     0.0000000     0.2825912    -0.1900595     0.0000000
        31     0.0000000    -0.0138060     0.1042703     0.0000000    -0.1183055     0.0000000     0.0000000    -0.0567297
        32     0.0000000    -0.0635464    -0.0539100     0.0000000     0.0393116     0.0000000     0.0000000     0.0448001
        33    -0.0432502     0.0000000     0.0000000     0.1196942     0.0000000    -0.2323039    -0.2281024     0.0000000
        34     0.0000000    -0.0138060    -0.1042703     0.0000000     0.1183055     0.0000000     0.0000000    -0.0567297
        35     0.0000000    -0.0635464     0.0539100     0.0000000    -0.0393116     0.0000000     0.0000000     0.0448001
        36    -0.0432502     0.0000000     0.0000000    -0.1196942     0.0000000    -0.2323039    -0.2281024     0.0000000
        37     0.0000000     0.1896121     0.3924023     0.0000000     0.3090149     0.0000000     0.0000000     0.3667266
        38     0.0000000     0.4403302     0.2308657     0.0000000    -0.1399104     0.0000000     0.0000000    -0.0529844
        39     0.0073426     0.0000000     0.0000000    -0.0714240     0.0000000    -0.0027184    -0.0645789     0.0000000
        40     0.0000000     0.1896121    -0.3924023     0.0000000    -0.3090149     0.0000000     0.0000000     0.3667266
        41     0.0000000     0.4403302    -0.2308657     0.0000000     0.1399104     0.0000000     0.0000000    -0.0529844
        42     0.0073426     0.0000000     0.0000000     0.0714240     0.0000000    -0.0027184    -0.0645789     0.0000000
        43     0.0000000    -0.1168987    -0.0450906     0.0000000     0.1626578     0.0000000     0.0000000     0.0270215
        44     0.0000000     0.0531005    -0.0120229     0.0000000    -0.0133092     0.0000000     0.0000000    -0.0973378
        45     0.3584405     0.0000000     0.0000000    -0.2591282     0.0000000     0.0144686    -0.1358318     0.0000000
        46     0.0000000    -0.1168987     0.0450906     0.0000000    -0.1626578     0.0000000     0.0000000     0.0270215
        47     0.0000000     0.0531005     0.0120229     0.0000000     0.0133092     0.0000000     0.0000000    -0.0973378
        48     0.3584405     0.0000000     0.0000000     0.2591282     0.0000000     0.0144686    -0.1358318     0.0000000
        49     0.0000000     0.0244947    -0.0798807     0.0000000    -0.0993938     0.0000000     0.0000000     0.0595579
        50     0.0000000     0.2276304    -0.1797918     0.0000000     0.0685443     0.0000000     0.0000000     0.1445878
        51     0.1431484     0.0000000     0.0000000     0.2357406     0.0000000     0.0260836    -0.2560435     0.0000000
        52     0.0000000     0.0244947     0.0798807     0.0000000     0.0993938     0.0000000     0.0000000     0.0595579
        53     0.0000000     0.2276304     0.1797918     0.0000000    -0.0685443     0.0000000     0.0000000     0.1445878
        54     0.1431484     0.0000000     0.0000000    -0.2357406     0.0000000     0.0260836    -0.2560435     0.0000000
        55     0.0000000     0.1483871    -0.2190600     0.0000000    -0.0682727     0.0000000     0.0000000     0.2679255
        56     0.0000000     0.1122006    -0.0490437     0.0000000     0.0380321     0.0000000     0.0000000    -0.0428509
        57    -0.2497820     0.0000000     0.0000000    -0.2107992     0.0000000    -0.0293994     0.1641354     0.0000000
        58     0.0000000     0.1483871     0.2190600     0.0000000     0.0682727     0.0000000     0.0000000     0.2679255
        59     0.0000000     0.1122006     0.0490437     0.0000000    -0.0380321     0.0000000     0.0000000    -0.0428509
        60    -0.2497820     0.0000000     0.0000000     0.2107992     0.0000000    -0.0293994     0.1641354     0.0000000
                  17            18            19            20            21            22            23            24
         1     0.2436717     0.0000000     0.0068806     0.0000000     0.0396485     0.0000000    -0.1200284     0.0000000
         2    -0.1274032     0.0000000     0.1385247     0.0000000     0.0071851     0.0000000    -0.0240586     0.0000000
         3     0.0000000     0.0921918     0.0000000     0.2399064     0.0000000     0.4945671     0.0000000     0.0044191
         4     0.1227315     0.0000000     0.3434898     0.0000000    -0.2579724     0.0000000     0.0106360     0.0000000
         5    -0.2828507     0.0000000     0.3001888     0.0000000    -0.1353579     0.0000000     0.4028105     0.0000000
         6     0.0000000    -0.2848229     0.0000000     0.0450377     0.0000000    -0.2020229     0.0000000     0.2216010
         7     0.0342912     0.0000000     0.4254056     0.0000000    -0.2509363     0.0000000    -0.1168394     0.0000000
         8     0.0444737     0.0000000    -0.2167343     0.0000000    -0.0507881     0.0000000     0.4073151     0.0000000
         9     0.0000000     0.2736884     0.0000000     0.0588641     0.0000000     0.1985479     0.0000000     0.2425776
        10    -0.2436717     0.0000000    -0.0068806     0.0000000     0.0396485     0.0000000     0.1200284     0.0000000
        11     0.1274032     0.0000000    -0.1385247     0.0000000     0.0071851     0.0000000     0.0240586     0.0000000
        12     0.0000000    -0.0921918     0.0000000     0.2399064     0.0000000    -0.4945671     0.0000000    -0.0044191
        13    -0.1227315     0.0000000    -0.3434898     0.0000000    -0.2579724     0.0000000    -0.0106360     0.0000000
        14     0.2828507     0.0000000    -0.3001888     0.0000000    -0.1353579     0.0000000    -0.4028105     0.0000000
        15     0.0000000     0.2848229     0.0000000     0.0450377     0.0000000     0.2020229     0.0000000    -0.2216010
        16    -0.0342912     0.0000000    -0.4254056     0.0000000    -0.2509363     0.0000000     0.1168394     0.0000000
        17    -0.0444737     0.0000000     0.2167343     0.0000000    -0.0507881     0.0000000    -0.4073151     0.0000000
        18     0.0000000    -0.2736884     0.0000000     0.0588641     0.0000000    -0.1985479     0.0000000    -0.2425776
        19     0.1938001     0.0000000     0.0186002     0.0000000     0.3567801     0.0000000     0.1840863     0.0000000
        20     0.3568108     0.0000000     0.0802143     0.0000000     0.2603406     0.0000000     0.1375790     0.0000000
        21     0.0000000     0.3350628     0.0000000    -0.3298513     0.0000000    -0.2332801     0.0000000    -0.0010074
        22    -0.1938001     0.0000000    -0.0186002     0.0000000     0.3567801     0.0000000    -0.1840863     0.0000000
        23    -0.3568108     0.0000000    -0.0802143     0.0000000     0.2603406     0.0000000    -0.1375790     0.0000000
        24     0.0000000    -0.3350628     0.0000000    -0.3298513     0.0000000     0.2332801     0.0000000     0.0010074
        25    -0.1088696     0.0000000    -0.0979778     0.0000000    -0.1119749     0.0000000     0.0977272     0.0000000
        26    -0.0935877     0.0000000     0.0834946     0.0000000    -0.0493137     0.0000000    -0.0761378     0.0000000
        27     0.0000000    -0.1338207     0.0000000    -0.2540068     0.0000000    -0.1539387     0.0000000     0.4505276
        28     0.1088696     0.0000000     0.0979778     0.0000000    -0.1119749     0.0000000    -0.0977272     0.0000000
        29     0.0935877     0.0000000    -0.0834946     0.0000000    -0.0493137     0.0000000     0.0761378     0.0000000
        30     0.0000000     0.1338207     0.0000000    -0.2540068     0.0000000     0.1539387     0.0000000    -0.4505276
        31     0.0470809     0.0000000     0.0573600     0.0000000    -0.1269481     0.0000000     0.0999942     0.0000000
        32    -0.0870162     0.0000000     0.1031285     0.0000000    -0.0198840     0.0000000     0.0884187     0.0000000
        33     0.0000000    -0.1125963     0.0000000    -0.2578982     0.0000000    -0.1575255     0.0000000    -0.4342990
        34    -0.0470809     0.0000000    -0.0573600     0.0000000    -0.1269481     0.0000000    -0.0999942     0.0000000
        35     0.0870162     0.0000000    -0.1031285     0.0000000    -0.0198840     0.0000000    -0.0884187     0.0000000
        36     0.0000000     0.1125963     0.0000000    -0.2578982     0.0000000     0.1575255     0.0000000     0.4342990
        37    -0.1305286     0.0000000    -0.0347548     0.0000000     0.1591109     0.0000000     0.1145519     0.0000000
        38     0.0369294     0.0000000     0.0516686     0.0000000    -0.0289240     0.0000000    -0.0073203     0.0000000
        39     0.0000000    -0.0564627     0.0000000     0.0492761     0.0000000     0.0218932     0.0000000     0.0034118
        40     0.1305286     0.0000000     0.0347548     0.0000000     0.1591109     0.0000000    -0.1145519     0.0000000
        41    -0.0369294     0.0000000    -0.0516686     0.0000000    -0.0289240     0.0000000     0.0073203     0.0000000
        42     0.0000000     0.0564627     0.0000000     0.0492761     0.0000000    -0.0218932     0.0000000    -0.0034118
        43     0.0357788     0.0000000     0.0013687     0.0000000     0.1110975     0.0000000     0.0584848     0.0000000
        44     0.1080182     0.0000000     0.0241084     0.0000000     0.0780659     0.0000000     0.0423826     0.0000000
        45     0.0000000    -0.1281655     0.0000000     0.1464058     0.0000000     0.0860587     0.0000000     0.0006383
        46    -0.0357788     0.0000000    -0.0013687     0.0000000     0.1110975     0.0000000    -0.0584848     0.0000000
        47    -0.1080182     0.0000000    -0.0241084     0.0000000     0.0780659     0.0000000    -0.0423826     0.0000000
        48     0.0000000     0.1281655     0.0000000     0.1464058     0.0000000    -0.0860587     0.0000000    -0.0006383
        49    -0.0231333     0.0000000     0.0004741     0.0000000     0.1093264     0.0000000    -0.0801902     0.0000000
        50     0.1930264     0.0000000     0.0175299     0.0000000    -0.2101376     0.0000000     0.1520778     0.0000000
        51     0.0000000     0.3590263     0.0000000     0.3585823     0.0000000    -0.2250645     0.0000000     0.0147108
        52     0.0231333     0.0000000    -0.0004741     0.0000000     0.1093264     0.0000000     0.0801902     0.0000000
        53    -0.1930264     0.0000000    -0.0175299     0.0000000    -0.2101376     0.0000000    -0.1520778     0.0000000
        54     0.0000000    -0.3590263     0.0000000     0.3585823     0.0000000     0.2250645     0.0000000    -0.0147108
        55     0.2445220     0.0000000     0.0473303     0.0000000    -0.1424716     0.0000000     0.0940962     0.0000000
        56    -0.0443195     0.0000000    -0.0208818     0.0000000     0.0201918     0.0000000    -0.0174119     0.0000000
        57     0.0000000    -0.2100094     0.0000000    -0.2113638     0.0000000     0.1170402     0.0000000    -0.0144701
        58    -0.2445220     0.0000000    -0.0473303     0.0000000    -0.1424716     0.0000000    -0.0940962     0.0000000
        59     0.0443195     0.0000000     0.0208818     0.0000000     0.0201918     0.0000000     0.0174119     0.0000000
        60     0.0000000     0.2100094     0.0000000    -0.2113638     0.0000000    -0.1170402     0.0000000     0.0144701
                  25            26            27            28            29            30            31            32
         1     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0874778     0.0000000     0.0000000
         2     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0264310     0.0000000     0.0000000
         3     0.3325526     0.0110599    -0.0172592     0.0617523     0.0023015     0.0000000    -0.0021368    -0.0057787
         4     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0004315     0.0000000     0.0000000
         5     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.4275052     0.0000000     0.0000000
         6    -0.1950823     0.0047937     0.0023443    -0.2315107    -0.2609285     0.0000000    -0.0123387    -0.0101164
         7     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.1218960     0.0000000     0.0000000
         8     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.3850619     0.0000000     0.0000000
         9    -0.2154359    -0.0039285     0.0109166     0.2242307     0.2548944     0.0000000     0.0123947    -0.0086600
        10     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0874778     0.0000000     0.0000000
        11     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0264310     0.0000000     0.0000000
        12     0.3325526    -0.0110599    -0.0172592    -0.0617523     0.0023015     0.0000000    -0.0021368     0.0057787
        13     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0004315     0.0000000     0.0000000
        14     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.4275052     0.0000000     0.0000000
        15    -0.1950823    -0.0047937     0.0023443     0.2315107    -0.2609285     0.0000000    -0.0123387     0.0101164
        16     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.1218960     0.0000000     0.0000000
        17     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.3850619     0.0000000     0.0000000
        18    -0.2154359     0.0039285     0.0109166    -0.2242307     0.2548944     0.0000000     0.0123947     0.0086600
        19     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0010041     0.0000000     0.0000000
        20     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0057062     0.0000000     0.0000000
        21    -0.1650641    -0.1214746     0.1244653    -0.0355058     0.0006871     0.0000000    -0.2037497    -0.2057344
        22     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0010041     0.0000000     0.0000000
        23     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0057062     0.0000000     0.0000000
        24    -0.1650641     0.1214746     0.1244653     0.0355058     0.0006871     0.0000000    -0.2037497     0.2057344
        25     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.1158270     0.0000000     0.0000000
        26     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.2399332     0.0000000     0.0000000
        27     0.3595416    -0.0128840    -0.0170396     0.4298522    -0.4188965     0.0000000     0.0004812     0.0159111
        28     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.1158270     0.0000000     0.0000000
        29     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.2399332     0.0000000     0.0000000
        30     0.3595416     0.0128840    -0.0170396    -0.4298522    -0.4188965     0.0000000     0.0004812    -0.0159111
        31     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.1616786     0.0000000     0.0000000
        32     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.1896438     0.0000000     0.0000000
        33     0.3504421    -0.0099261    -0.0006084     0.4519741     0.4371318     0.0000000     0.0079428     0.0258699
        34     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.1616786     0.0000000     0.0000000
        35     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.1896438     0.0000000     0.0000000
        36     0.3504421     0.0099261    -0.0006084    -0.4519741     0.4371318     0.0000000     0.0079428    -0.0258699
        37     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0553069     0.0000000     0.0000000
        38     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0187154     0.0000000     0.0000000
        39     0.0032808     0.3563929    -0.3567047     0.0096043     0.0049888     0.0000000     0.0180856     0.0184059
        40     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0553069     0.0000000     0.0000000
        41     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0187154     0.0000000     0.0000000
        42     0.0032808    -0.3563929    -0.3567047    -0.0096043     0.0049888     0.0000000     0.0180856    -0.0184059
        43     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0163850     0.0000000     0.0000000
        44     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0027182     0.0000000     0.0000000
        45     0.0276667     0.0111832    -0.0111067    -0.0201835    -0.0076409     0.0000000     0.5566339     0.5559782
        46     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0163850     0.0000000     0.0000000
        47     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0027182     0.0000000     0.0000000
        48     0.0276667    -0.0111832    -0.0111067     0.0201835    -0.0076409     0.0000000     0.5566339    -0.5559782
        49     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0393402     0.0000000     0.0000000
        50     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0681116     0.0000000     0.0000000
        51     0.1469385     0.4190472     0.4168979    -0.0227416    -0.0000517     0.0000000    -0.2272701     0.2263910
        52     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0393402     0.0000000     0.0000000
        53     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0681116     0.0000000     0.0000000
        54     0.1469385    -0.4190472     0.4168979     0.0227416    -0.0000517     0.0000000    -0.2272701    -0.2263910
        55     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0502259     0.0000000     0.0000000
        56     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0155006     0.0000000     0.0000000
        57    -0.0569731     0.4267050     0.4273519     0.0312905    -0.0172513     0.0000000     0.3103099    -0.3095750
        58     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0502259     0.0000000     0.0000000
        59     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0155006     0.0000000     0.0000000
        60    -0.0569731    -0.4267050     0.4273519    -0.0312905    -0.0172513     0.0000000     0.3103099     0.3095750
                  33            34            35            36            37            38            39            40
         1     0.0867334    -0.1927281    -0.1480972    -0.2316616     0.4504301     0.4385437     0.1223983     0.0369784
         2     0.1710828    -0.0672565     0.0948656    -0.0075804    -0.1522467    -0.0085106     0.4279882     0.2888304
         3     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         4    -0.0676213    -0.0957016    -0.1620832     0.0789032    -0.1677814     0.1965286     0.2860495    -0.0520482
         5    -0.0818891    -0.0675940    -0.0929449    -0.1273362     0.0056418     0.1281386    -0.1852204     0.0255082
         6     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         7     0.0264087     0.0671792     0.2483524    -0.0287737     0.0615091    -0.2429164    -0.2296180    -0.1191601
         8    -0.1609271    -0.1330059    -0.0500623    -0.1088641     0.1951424    -0.0156531    -0.1572962    -0.0425645
         9     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        10     0.0867334     0.1927281    -0.1480972     0.2316616     0.4504301    -0.4385437     0.1223983    -0.0369784
        11     0.1710828     0.0672565     0.0948656     0.0075804    -0.1522467     0.0085106     0.4279882    -0.2888304
        12     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        13    -0.0676213     0.0957016    -0.1620832    -0.0789032    -0.1677814    -0.1965286     0.2860495     0.0520482
        14    -0.0818891     0.0675940    -0.0929449     0.1273362     0.0056418    -0.1281386    -0.1852204    -0.0255082
        15     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.0264087    -0.0671792     0.2483524     0.0287737     0.0615091     0.2429164    -0.2296180     0.1191601
        17    -0.1609271     0.1330059    -0.0500623     0.1088641     0.1951424     0.0156531    -0.1572962     0.0425645
        18     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        19     0.0885655    -0.0765494    -0.0323923     0.0763423    -0.0617071    -0.1103145    -0.1170992    -0.0956754
        20     0.1419422    -0.1339464    -0.0285165     0.0876088    -0.1033236    -0.1598033    -0.1559825    -0.1601278
        21     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        22     0.0885655     0.0765494    -0.0323923    -0.0763423    -0.0617071     0.1103145    -0.1170992     0.0956754
        23     0.1419422     0.1339464    -0.0285165    -0.0876088    -0.1033236     0.1598033    -0.1559825     0.1601278
        24     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        25     0.0200996     0.0238163     0.4048333     0.2930330    -0.1288831     0.2389579    -0.0576126    -0.2840702
        26    -0.0435119     0.0807072     0.2457404     0.2653561    -0.0623130     0.1284550    -0.0409475    -0.2498678
        27     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        28     0.0200996    -0.0238163     0.4048333    -0.2930330    -0.1288831    -0.2389579    -0.0576126     0.2840702
        29    -0.0435119    -0.0807072     0.2457404    -0.2653561    -0.0623130    -0.1284550    -0.0409475     0.2498678
        30     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        31    -0.1884410    -0.0567085    -0.3325265     0.4325576    -0.3226515     0.1176524    -0.1668799     0.3529896
        32     0.0351075    -0.0132952     0.0695879    -0.1927440     0.1065295     0.0285366     0.0374669    -0.1287284
        33     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        34    -0.1884410     0.0567085    -0.3325265    -0.4325576    -0.3226515    -0.1176524    -0.1668799    -0.3529896
        35     0.0351075     0.0132952     0.0695879     0.1927440     0.1065295    -0.0285366     0.0374669     0.1287284
        36     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        37    -0.1998411     0.2435040     0.0797605     0.0051215    -0.0668096    -0.0474378     0.0428297     0.0322472
        38    -0.1307127     0.1203368     0.0158248    -0.0307060     0.0208337     0.0656636     0.0887621     0.1255017
        39     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        40    -0.1998411    -0.2435040     0.0797605    -0.0051215    -0.0668096     0.0474378     0.0428297    -0.0322472
        41    -0.1307127    -0.1203368     0.0158248     0.0307060     0.0208337    -0.0656636     0.0887621    -0.1255017
        42     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        43     0.2830258    -0.2638895    -0.0401654     0.1116190    -0.2032212    -0.2230856    -0.0607851     0.1554172
        44    -0.0171737     0.0173018    -0.0001670     0.0092649     0.0051421    -0.0107764    -0.0438941    -0.0931453
        45     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        46     0.2830258     0.2638895    -0.0401654    -0.1116190    -0.2032212     0.2230856    -0.0607851    -0.1554172
        47    -0.0171737    -0.0173018    -0.0001670    -0.0092649     0.0051421     0.0107764    -0.0438941     0.0931453
        48     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        49    -0.1691968    -0.1909209     0.0622899    -0.0014627    -0.0381502     0.0094745     0.0379272    -0.0271357
        50     0.3240193     0.3521810    -0.1189102     0.0034101     0.0542522     0.0102987    -0.0633005     0.0303046
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        52    -0.1691968     0.1909209     0.0622899     0.0014627    -0.0381502    -0.0094745     0.0379272     0.0271357
        53     0.3240193    -0.3521810    -0.1189102    -0.0034101     0.0542522    -0.0102987    -0.0633005    -0.0303046
        54     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        55     0.2814988     0.2764290    -0.0445160    -0.0567875    -0.0514894     0.0972462    -0.1135928     0.1457067
        56    -0.0895813    -0.0867103     0.0137458     0.0190177     0.0135932    -0.0353294     0.0476720    -0.0650820
        57     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        58     0.2814988    -0.2764290    -0.0445160     0.0567875    -0.0514894    -0.0972462    -0.1135928    -0.1457067
        59    -0.0895813     0.0867103     0.0137458    -0.0190177     0.0135932     0.0353294     0.0476720     0.0650820
        60     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
                  41            42            43            44            45            46            47            48
         1     0.0310492     0.0013771    -0.0114586     0.0913719    -0.0529623     0.3544832    -0.0618863    -0.2759325
         2    -0.0511532    -0.1202434     0.2968728     0.0796411     0.1287325     0.0861017     0.4610925    -0.0363107
         3     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         4    -0.0977550     0.0576215    -0.2768239     0.0889841    -0.1157887    -0.2522083     0.1979824     0.4257652
         5    -0.0062535    -0.0335544    -0.1488154    -0.0468512     0.0059395     0.1718929    -0.2568291    -0.0421766
         6     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         7     0.0802068     0.0346510     0.3433086    -0.0057866     0.0604476    -0.1518389     0.0837364    -0.3879681
         8     0.0495325     0.0373099     0.0322465     0.0630620    -0.0769161    -0.2516759     0.3041817    -0.1683437
         9     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        10     0.0310492    -0.0013771    -0.0114586    -0.0913719    -0.0529623     0.3544832     0.0618863     0.2759325
        11    -0.0511532     0.1202434     0.2968728    -0.0796411     0.1287325     0.0861017    -0.4610925     0.0363107
        12     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        13    -0.0977550    -0.0576215    -0.2768239    -0.0889841    -0.1157887    -0.2522083    -0.1979824    -0.4257652
        14    -0.0062535     0.0335544    -0.1488154     0.0468512     0.0059395     0.1718929     0.2568291     0.0421766
        15     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.0802068    -0.0346510     0.3433086     0.0057866     0.0604476    -0.1518389    -0.0837364     0.3879681
        17     0.0495325    -0.0373099     0.0322465    -0.0630620    -0.0769161    -0.2516759    -0.3041817     0.1683437
        18     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        19    -0.0349407    -0.0054239    -0.1441743    -0.3023726     0.2471034    -0.0826613    -0.0323447     0.0761236
        20    -0.2172565    -0.1799890     0.0039279     0.0955563    -0.1107956    -0.0402457    -0.0206313    -0.0129504
        21     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        22    -0.0349407     0.0054239    -0.1441743     0.3023726     0.2471034    -0.0826613     0.0323447    -0.0761236
        23    -0.2172565     0.1799890     0.0039279    -0.0955563    -0.1107956    -0.0402457     0.0206313     0.0129504
        24     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        25    -0.0277424     0.1456965    -0.1947745     0.0332490     0.0469353     0.2391987     0.1413848    -0.0971986
        26    -0.0287899     0.1154653    -0.2453516     0.0035831    -0.0073323     0.1437040     0.0316945    -0.1290341
        27     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        28    -0.0277424    -0.1456965    -0.1947745    -0.0332490     0.0469353     0.2391987    -0.1413848     0.0971986
        29    -0.0287899    -0.1154653    -0.2453516    -0.0035831    -0.0073323     0.1437040    -0.0316945     0.1290341
        30     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.0113450    -0.1800772     0.1460556    -0.0470454     0.1160801     0.2808168    -0.1337720    -0.1304940
        32    -0.0191191     0.0619654    -0.1429252     0.0128555    -0.0566201    -0.0723851    -0.0142195     0.0885490
        33     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        34     0.0113450     0.1800772     0.1460556     0.0470454     0.1160801     0.2808168     0.1337720     0.1304940
        35    -0.0191191    -0.0619654    -0.1429252    -0.0128555    -0.0566201    -0.0723851     0.0142195    -0.0885490
        36     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        37    -0.0402861    -0.0540366     0.0758108     0.0077074     0.0235234    -0.0391453     0.0822259    -0.0340569
        38     0.2522090     0.2355289    -0.0328569     0.0522931    -0.0653865     0.0440622    -0.0563913     0.0218804
        39     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        40    -0.0402861     0.0540366     0.0758108    -0.0077074     0.0235234    -0.0391453    -0.0822259     0.0340569
        41     0.2522090    -0.2355289    -0.0328569    -0.0522931    -0.0653865     0.0440622     0.0563913    -0.0218804
        42     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        43     0.4933479     0.4715095    -0.0474540     0.1823944    -0.2214047    -0.0150827    -0.0834707    -0.0208357
        44    -0.1889090    -0.1704601     0.0053907    -0.0308728     0.0322726    -0.0169531     0.0130424     0.0056760
        45     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        46     0.4933479    -0.4715095    -0.0474540    -0.1823944    -0.2214047    -0.0150827     0.0834707     0.0208357
        47    -0.1889090     0.1704601     0.0053907     0.0308728     0.0322726    -0.0169531    -0.0130424    -0.0056760
        48     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        49    -0.0043142     0.0099750     0.0600148    -0.1425699    -0.1267936     0.0187821     0.0059890     0.0031552
        50     0.0194711    -0.0212625    -0.1153398     0.4096392     0.3884868    -0.0895141    -0.0867061     0.0192438
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        52    -0.0043142    -0.0099750     0.0600148     0.1425699    -0.1267936     0.0187821    -0.0059890    -0.0031552
        53     0.0194711     0.0212625    -0.1153398    -0.4096392     0.3884868    -0.0895141     0.0867061    -0.0192438
        54     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        55    -0.2595582     0.2285141     0.0821993    -0.3727386    -0.3751595     0.0678580     0.1168023    -0.0348404
        56     0.1238720    -0.1127215    -0.0243217     0.0552145     0.0520020     0.0001613    -0.0053891    -0.0007405
        57     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        58    -0.2595582    -0.2285141     0.0821993     0.3727386    -0.3751595     0.0678580    -0.1168023     0.0348404
        59     0.1238720     0.1127215    -0.0243217    -0.0552145     0.0520020     0.0001613     0.0053891     0.0007405
        60     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
                  49            50            51            52            53            54            55            56
         1    -0.0334963    -0.0828171    -0.0001369     0.0002396     0.0056134     0.0054775    -0.0073645    -0.0046913
         2     0.1020427     0.0487708    -0.0006400     0.0005524     0.0011467     0.0010952     0.0025836     0.0094158
         3     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         4    -0.0589724    -0.0188968    -0.0001383    -0.0005067    -0.0007378    -0.0021727    -0.0578124    -0.0593254
         5    -0.0343189    -0.0159873    -0.0024850     0.0005911    -0.0021638    -0.0059826    -0.1702820    -0.1704768
         6     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         7     0.0706453     0.0348622    -0.0032059    -0.0022115     0.0010007    -0.0023148    -0.0537000    -0.0538660
         8     0.0734602    -0.0000855     0.0044482     0.0039287     0.0005309     0.0018818     0.0813650     0.0790300
         9     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        10     0.0334963    -0.0828171    -0.0001369    -0.0002396     0.0056134    -0.0054775    -0.0073645     0.0046913
        11    -0.1020427     0.0487708    -0.0006400    -0.0005524     0.0011467    -0.0010952     0.0025836    -0.0094158
        12     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        13     0.0589724    -0.0188968    -0.0001383     0.0005067    -0.0007378     0.0021727    -0.0578124     0.0593254
        14     0.0343189    -0.0159873    -0.0024850    -0.0005911    -0.0021638     0.0059826    -0.1702820     0.1704768
        15     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        16    -0.0706453     0.0348622    -0.0032059     0.0022115     0.0010007     0.0023148    -0.0537000     0.0538660
        17    -0.0734602    -0.0000855     0.0044482    -0.0039287     0.0005309    -0.0018818     0.0813650    -0.0790300
        18     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        19     0.3725589     0.3870695    -0.0270328     0.0268899    -0.0329656    -0.0330661     0.0003388     0.0011070
        20    -0.2424038    -0.2396307    -0.0360944     0.0357899    -0.2004081    -0.2004081     0.0036028     0.0063342
        21     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        22    -0.3725589     0.3870695    -0.0270328    -0.0268899    -0.0329656     0.0330661     0.0003388    -0.0011070
        23     0.2424038    -0.2396307    -0.0360944    -0.0357899    -0.2004081     0.2004081     0.0036028    -0.0063342
        24     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        25     0.0128874    -0.0206690     0.0094155    -0.0067898    -0.0001358    -0.0047541     0.2059006    -0.2042532
        26     0.0043882    -0.0279518    -0.0122322     0.0089686    -0.0001597     0.0062128    -0.2572768     0.2539511
        27     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        28    -0.0128874    -0.0206690     0.0094155     0.0067898    -0.0001358     0.0047541     0.2059006     0.2042532
        29    -0.0043882    -0.0279518    -0.0122322    -0.0089686    -0.0001597    -0.0062128    -0.2572768    -0.2539511
        30     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.0039875     0.0065925     0.0026558    -0.0000650     0.0015941     0.0065495     0.2039299     0.2050287
        32    -0.0210778    -0.0111374     0.0083322    -0.0007776     0.0079654     0.0210197     0.5546236     0.5561470
        33     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        34    -0.0039875     0.0065925     0.0026558     0.0000650     0.0015941    -0.0065495     0.2039299    -0.2050287
        35     0.0210778    -0.0111374     0.0083322     0.0007776     0.0079654    -0.0210197     0.5546236    -0.5561470
        36     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        37    -0.3219368    -0.3266969     0.1245834    -0.1246983    -0.0341089    -0.0336411    -0.0028842     0.0030946
        38     0.2619313     0.2644919    -0.1040325     0.1039139     0.0477337     0.0475021     0.0007168    -0.0011490
        39     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.3219368    -0.3266969     0.1245834     0.1246983    -0.0341089     0.0336411    -0.0028842    -0.0030946
        41    -0.2619313     0.2644919    -0.1040325    -0.1039139     0.0477337    -0.0475021     0.0007168     0.0011490
        42     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        43    -0.1472708    -0.1435788     0.0382244    -0.0379080     0.1467225     0.1467789    -0.0007166    -0.0039421
        44    -0.0276737    -0.0266809     0.1691552    -0.1674361     0.6354034     0.6355509    -0.0103125    -0.0208383
        45     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        46     0.1472708    -0.1435788     0.0382244     0.0379080     0.1467225    -0.1467789    -0.0007166     0.0039421
        47     0.0276737    -0.0266809     0.1691552     0.1674361     0.6354034    -0.6355509    -0.0103125     0.0208383
        48     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        49     0.0353288    -0.0367999    -0.4530101    -0.4532885     0.0896161    -0.0881446     0.0111538     0.0079425
        50     0.1786795    -0.1784878    -0.1435769    -0.1437584     0.0283302    -0.0278750     0.0032182     0.0025472
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        52    -0.0353288    -0.0367999    -0.4530101     0.4532885     0.0896161     0.0881446     0.0111538    -0.0079425
        53    -0.1786795    -0.1784878    -0.1435769     0.1437584     0.0283302     0.0278750     0.0032182    -0.0025472
        54     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        55    -0.2127934     0.2168209     0.0779857     0.0780619    -0.0265401     0.0263363    -0.0011165    -0.0009033
        56    -0.0453424     0.0455627     0.4574739     0.4580364    -0.1428273     0.1414900    -0.0071399    -0.0064065
        57     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        58     0.2127934     0.2168209     0.0779857    -0.0780619    -0.0265401    -0.0263363    -0.0011165     0.0009033
        59     0.0453424     0.0455627     0.4574739    -0.4580364    -0.1428273    -0.1414900    -0.0071399     0.0064065
        60     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
                  57            58            59            60
         1    -0.0007192     0.0076291     0.0011085    -0.0011231
         2     0.0133472     0.0043023    -0.0004915     0.0005220
         3     0.0000000     0.0000000     0.0000000     0.0000000
         4    -0.0454353     0.0439823    -0.0000832    -0.0002374
         5    -0.0952859     0.0957969     0.0000877    -0.0003208
         6     0.0000000     0.0000000     0.0000000     0.0000000
         7     0.1196903    -0.1200550     0.0008528     0.0011748
         8    -0.1394977     0.1411227    -0.0010693    -0.0013683
         9     0.0000000     0.0000000     0.0000000     0.0000000
        10    -0.0007192    -0.0076291     0.0011085     0.0011231
        11     0.0133472    -0.0043023    -0.0004915    -0.0005220
        12     0.0000000     0.0000000     0.0000000     0.0000000
        13    -0.0454353    -0.0439823    -0.0000832     0.0002374
        14    -0.0952859    -0.0957969     0.0000877     0.0003208
        15     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.1196903     0.1200550     0.0008528    -0.0011748
        17    -0.1394977    -0.1411227    -0.0010693     0.0013683
        18     0.0000000     0.0000000     0.0000000     0.0000000
        19     0.0003364    -0.0001382    -0.0023196     0.0023142
        20    -0.0002930    -0.0024434    -0.0112228     0.0112502
        21     0.0000000     0.0000000     0.0000000     0.0000000
        22     0.0003364     0.0001382    -0.0023196    -0.0023142
        23    -0.0002930     0.0024434    -0.0112228    -0.0112502
        24     0.0000000     0.0000000     0.0000000     0.0000000
        25    -0.3710983    -0.3720553    -0.0033789     0.0042310
        26     0.4582436     0.4599260     0.0048191    -0.0058225
        27     0.0000000     0.0000000     0.0000000     0.0000000
        28    -0.3710983     0.3720553    -0.0033789    -0.0042310
        29     0.4582436    -0.4599260     0.0048191     0.0058225
        30     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.1145531    -0.1125387    -0.0000365     0.0002597
        32     0.3064676    -0.3027811     0.0002336     0.0005988
        33     0.0000000     0.0000000     0.0000000     0.0000000
        34     0.1145531     0.1125387    -0.0000365    -0.0002597
        35     0.3064676     0.3027811     0.0002336    -0.0005988
        36     0.0000000     0.0000000     0.0000000     0.0000000
        37     0.0034812     0.0033600    -0.1530946     0.1530915
        38     0.0004443     0.0009782    -0.1739094     0.1738719
        39     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.0034812    -0.0033600    -0.1530946    -0.1530915
        41     0.0004443    -0.0009782    -0.1739094    -0.1738719
        42     0.0000000     0.0000000     0.0000000     0.0000000
        43    -0.0006711    -0.0002939     0.0066895    -0.0067047
        44    -0.0018178     0.0055572     0.0373734    -0.0374618
        45     0.0000000     0.0000000     0.0000000     0.0000000
        46    -0.0006711     0.0002939     0.0066895     0.0067047
        47    -0.0018178    -0.0055572     0.0373734     0.0374618
        48     0.0000000     0.0000000     0.0000000     0.0000000
        49    -0.0101645     0.0110031     0.4520270     0.4520498
        50    -0.0031153     0.0031035     0.1369277     0.1369315
        51     0.0000000     0.0000000     0.0000000     0.0000000
        52    -0.0101645    -0.0110031     0.4520270    -0.4520498
        53    -0.0031153    -0.0031035     0.1369277    -0.1369315
        54     0.0000000     0.0000000     0.0000000     0.0000000
        55     0.0003558    -0.0000464     0.0747078     0.0746966
        56     0.0041002    -0.0021551     0.4648094     0.4647744
        57     0.0000000     0.0000000     0.0000000     0.0000000
        58     0.0003558     0.0000464     0.0747078    -0.0746966
        59     0.0041002     0.0021551     0.4648094    -0.4647744
        60     0.0000000     0.0000000     0.0000000     0.0000000

   Low Vibration      Wavenumber
        Nr             [1/cm] 
        1                0.00
        2                0.00
        3                0.00
        4                0.00
        5                0.00
        6                0.00
        7               50.28
        8               83.62

     Vibration        Wavenumber
        Nr             [1/cm] 
        1              151.81
        2              190.88
        3              271.17
        4              299.59
        5              407.86
        6              423.63
        7              467.76
        8              491.56
        9              585.60
       10              656.21
       11              673.66
       12              705.46
       13              740.44
       14              809.63
       15              864.02
       16              893.30
       17              895.90
       18              978.51
       19              978.66
       20             1017.74
       21             1036.25
       22             1073.12
       23             1108.81
       24             1108.97
       25             1115.01
       26             1124.25
       27             1206.12
       28             1262.73
       29             1284.79
       30             1297.25
       31             1351.31
       32             1401.23
       33             1432.80
       34             1437.02
       35             1515.67
       36             1576.70
       37             1587.05
       38             1640.49
       39             1691.57
       40             1739.33
       41             1819.66
       42             1820.94
       43             3395.37
       44             3396.12
       45             3435.25
       46             3435.29
       47             3444.72
       48             3448.17
       49             3464.62
       50             3467.52
       51             3546.79
       52             3546.80

 FREQUENCIES * CALCULATION OF NORMAL MODES FOR KS-SCF000                       


 Atomic Coordinates

  Nr  Atom  Charge       X              Y              Z

   1   C     6.00    2.676555004    0.445053674    0.000000000
   2   C     6.00    0.924078927    2.483895454    0.000000000
   3   C     6.00   -1.690889354    2.053616273    0.000000000
   4   C     6.00   -2.676555004   -0.445053674    0.000000000
   5   C     6.00   -0.924078927   -2.483895454    0.000000000
   6   C     6.00    1.690889354   -2.053616273    0.000000000
   7   C     6.00    5.450227999    1.009227643    0.000000000
   8   C     6.00   -5.450227999   -1.009227643    0.000000000
   9   H     1.00    2.989238368   -3.671322474    0.000000000
  10   H     1.00   -2.989238368    3.671322474    0.000000000
  11   H     1.00    1.644335534    4.431401483    0.000000000
  12   H     1.00   -1.644335534   -4.431401483    0.000000000
  13   C     6.00    7.342395048   -0.686494779    0.000000000
  14   C     6.00   -7.342395048    0.686494779    0.000000000
  15   H     1.00    5.916512370    3.036218753    0.000000000
  16   H     1.00   -5.916512370   -3.036218753    0.000000000
  17   H     1.00   -9.324413259    0.082721260    0.000000000
  18   H     1.00    9.324413259   -0.082721260    0.000000000
  19   H     1.00   -7.012025423    2.731625401    0.000000000
  20   H     1.00    7.012025423   -2.731625401    0.000000000

 Frequencies dumped to record   5400.2

 Normal Modes
 
                              1 Au        2 Bu        3 Ag        4 Bg        5 Ag 
 Wavenumbers [cm-1]          151.81      190.88      271.17      299.59      407.86
 Intensities [km/mol]          0.33        0.28        0.00        0.00        0.00
 Intensities [relative]        0.34        0.28        0.00        0.00        0.00
           CX1              0.00000    -0.01009     0.02577     0.00000     0.06008
           CY1              0.00000    -0.05723    -0.06696     0.00000     0.06349
           CZ1             -0.02021     0.00000     0.00000     0.11848     0.00000
           CX2              0.00000    -0.01344     0.05582     0.00000    -0.02513
           CY2              0.00000    -0.06288    -0.03618     0.00000     0.00349
           CZ2             -0.05565     0.00000     0.00000     0.07815     0.00000
           CX3              0.00000    -0.00618     0.03761     0.00000    -0.03007
           CY3              0.00000    -0.06179     0.04442     0.00000    -0.07109
           CZ3             -0.06489     0.00000     0.00000    -0.06393     0.00000
           CX4              0.00000    -0.01009    -0.02577     0.00000    -0.06008
           CY4              0.00000    -0.05723     0.06696     0.00000    -0.06349
           CZ4             -0.02021     0.00000     0.00000    -0.11848     0.00000
           CX5              0.00000    -0.01344    -0.05582     0.00000     0.02513
           CY5              0.00000    -0.06288     0.03618     0.00000    -0.00349
           CZ5             -0.05565     0.00000     0.00000    -0.07815     0.00000
           CX6              0.00000    -0.00618    -0.03761     0.00000     0.03007
           CY6              0.00000    -0.06179    -0.04442     0.00000     0.07109
           CZ6             -0.06489     0.00000     0.00000     0.06393     0.00000
           CX7              0.00000    -0.02831     0.02614     0.00000     0.10951
           CY7              0.00000     0.03237    -0.02903     0.00000    -0.00305
           CZ7              0.12601     0.00000     0.00000    -0.03580     0.00000
           CX8              0.00000    -0.02831    -0.02614     0.00000    -0.10951
           CY8              0.00000     0.03237     0.02903     0.00000     0.00305
           CZ8              0.12601     0.00000     0.00000     0.03580     0.00000
           HX9              0.00000    -0.00247    -0.08240     0.00000     0.03548
           HY9              0.00000    -0.06033    -0.08234     0.00000     0.07459
           HZ9             -0.05747     0.00000     0.00000     0.08326     0.00000
           HX10             0.00000    -0.00247     0.08240     0.00000    -0.03548
           HY10             0.00000    -0.06033     0.08234     0.00000    -0.07459
           HZ10            -0.05747     0.00000     0.00000    -0.08326     0.00000
           HX11             0.00000    -0.01375     0.10386     0.00000    -0.11784
           HY11             0.00000    -0.06330    -0.05370     0.00000     0.03916
           HZ11            -0.04308     0.00000     0.00000     0.11922     0.00000
           HX12             0.00000    -0.01375    -0.10386     0.00000     0.11784
           HY12             0.00000    -0.06330     0.05370     0.00000    -0.03916
           HZ12            -0.04308     0.00000     0.00000    -0.11922     0.00000
           CX13             0.00000     0.05471     0.11322     0.00000     0.08916
           CY13             0.00000     0.12705     0.06661     0.00000    -0.04037
           CZ13             0.00212     0.00000     0.00000    -0.02061     0.00000
           CX14             0.00000     0.05471    -0.11322     0.00000    -0.08916
           CY14             0.00000     0.12705    -0.06661     0.00000     0.04037
           CZ14             0.00212     0.00000     0.00000     0.02061     0.00000
           HX15             0.00000    -0.11644    -0.04491     0.00000     0.16202
           HY15             0.00000     0.05289    -0.01198     0.00000    -0.01326
           HZ15             0.35703     0.00000     0.00000    -0.25811     0.00000
           HX16             0.00000    -0.11644     0.04491     0.00000    -0.16202
           HY16             0.00000     0.05289     0.01198     0.00000     0.01326
           HZ16             0.35703     0.00000     0.00000     0.25811     0.00000
           HX17             0.00000     0.02440    -0.07957     0.00000    -0.09900
           HY17             0.00000     0.22673    -0.17908     0.00000     0.06827
           HZ17             0.14258     0.00000     0.00000     0.23481     0.00000
           HX18             0.00000     0.02440     0.07957     0.00000     0.09900
           HY18             0.00000     0.22673     0.17908     0.00000    -0.06827
           HZ18             0.14258     0.00000     0.00000    -0.23481     0.00000
           HX19             0.00000     0.14780    -0.21820     0.00000    -0.06800
           HY19             0.00000     0.11176    -0.04885     0.00000     0.03788
           HZ19            -0.24880     0.00000     0.00000    -0.20997     0.00000
           HX20             0.00000     0.14780     0.21820     0.00000     0.06800
           HY20             0.00000     0.11176     0.04885     0.00000    -0.03788
           HZ20            -0.24880     0.00000     0.00000     0.20997     0.00000
 
                              6 Au        7 Au        8 Bu        9 Ag       10 Bg 
 Wavenumbers [cm-1]          423.63      467.76      491.56      585.60      656.21
 Intensities [km/mol]          0.11        5.74        2.00        0.00        0.00
 Intensities [relative]        0.11        5.84        2.03        0.00        0.00
           CX1              0.00000     0.00000    -0.03348     0.07031     0.00000
           CY1              0.00000     0.00000     0.02184    -0.03676     0.00000
           CZ1             -0.01121     0.13180     0.00000     0.00000     0.02660
           CX2              0.00000     0.00000    -0.04934     0.03541     0.00000
           CY2              0.00000     0.00000     0.04017    -0.08161     0.00000
           CZ2             -0.12077    -0.06230     0.00000     0.00000    -0.08218
           CX3              0.00000     0.00000    -0.05852     0.00989     0.00000
           CY3              0.00000     0.00000     0.04177     0.01283     0.00000
           CZ3              0.12499    -0.03995     0.00000     0.00000     0.07897
           CX4              0.00000     0.00000    -0.03348    -0.07031     0.00000
           CY4              0.00000     0.00000     0.02184     0.03676     0.00000
           CZ4             -0.01121     0.13180     0.00000     0.00000    -0.02660
           CX5              0.00000     0.00000    -0.04934    -0.03541     0.00000
           CY5              0.00000     0.00000     0.04017     0.08161     0.00000
           CZ5             -0.12077    -0.06230     0.00000     0.00000     0.08218
           CX6              0.00000     0.00000    -0.05852    -0.00989     0.00000
           CY6              0.00000     0.00000     0.04177    -0.01283     0.00000
           CZ6              0.12499    -0.03995     0.00000     0.00000    -0.07897
           CX7              0.00000     0.00000     0.01544     0.05592     0.00000
           CY7              0.00000     0.00000    -0.09624     0.10296     0.00000
           CZ7              0.00264     0.04307     0.00000     0.00000     0.09668
           CX8              0.00000     0.00000     0.01544    -0.05592     0.00000
           CY8              0.00000     0.00000    -0.09624    -0.10296     0.00000
           CZ8              0.00264     0.04307     0.00000     0.00000    -0.09668
           HX9              0.00000     0.00000    -0.05732    -0.10844     0.00000
           HY9              0.00000     0.00000     0.04324    -0.09322     0.00000
           HZ9              0.28148    -0.18931     0.00000     0.00000    -0.13329
           HX10             0.00000     0.00000    -0.05732     0.10844     0.00000
           HY10             0.00000     0.00000     0.04324     0.09322     0.00000
           HZ10             0.28148    -0.18931     0.00000     0.00000     0.13329
           HX11             0.00000     0.00000    -0.05651     0.04690     0.00000
           HY11             0.00000     0.00000     0.04462    -0.08667     0.00000
           HZ11            -0.23139    -0.22720     0.00000     0.00000    -0.11215
           HX12             0.00000     0.00000    -0.05651    -0.04690     0.00000
           HY12             0.00000     0.00000     0.04462     0.08667     0.00000
           HZ12            -0.23139    -0.22720     0.00000     0.00000     0.11215
           CX13             0.00000     0.00000     0.10582    -0.03766     0.00000
           CY13             0.00000     0.00000    -0.01529     0.01066     0.00000
           CZ13            -0.00078    -0.01863     0.00000     0.00000    -0.01629
           CX14             0.00000     0.00000     0.10582     0.03766     0.00000
           CY14             0.00000     0.00000    -0.01529    -0.01066     0.00000
           CZ14            -0.00078    -0.01863     0.00000     0.00000     0.01629
           HX15             0.00000     0.00000     0.02691     0.03564     0.00000
           HY15             0.00000     0.00000    -0.09695     0.10759     0.00000
           HZ15             0.01441    -0.13530     0.00000     0.00000    -0.12766
           HX16             0.00000     0.00000     0.02691    -0.03564     0.00000
           HY16             0.00000     0.00000    -0.09695    -0.10759     0.00000
           HZ16             0.01441    -0.13530     0.00000     0.00000     0.12766
           HX17             0.00000     0.00000     0.05932    -0.02304     0.00000
           HY17             0.00000     0.00000     0.14402     0.19226     0.00000
           HZ17             0.02598    -0.25503     0.00000     0.00000     0.35761
           HX18             0.00000     0.00000     0.05932     0.02304     0.00000
           HY18             0.00000     0.00000     0.14402    -0.19226     0.00000
           HZ18             0.02598    -0.25503     0.00000     0.00000    -0.35761
           HX19             0.00000     0.00000     0.26687     0.24356     0.00000
           HY19             0.00000     0.00000    -0.04268    -0.04414     0.00000
           HZ19            -0.02928     0.16349     0.00000     0.00000    -0.20918
           HX20             0.00000     0.00000     0.26687    -0.24356     0.00000
           HY20             0.00000     0.00000    -0.04268     0.04414     0.00000
           HZ20            -0.02928     0.16349     0.00000     0.00000     0.20918
 
                             11 Ag       12 Au       13 Bu       14 Bg       15 Ag 
 Wavenumbers [cm-1]          673.66      705.46      740.44      809.63      864.02
 Intensities [km/mol]          0.00        0.51        4.99        0.00        0.00
 Intensities [relative]        0.00        0.52        5.08        0.00        0.00
           CX1              0.00199     0.00000     0.01144     0.00000    -0.03463
           CY1              0.03997     0.00000     0.00207     0.00000    -0.00694
           CZ1              0.00000     0.06922     0.00000     0.14270     0.00000
           CX2              0.09911     0.00000    -0.07444     0.00000     0.00307
           CY2              0.08662     0.00000    -0.03906     0.00000     0.11623
           CZ2              0.00000     0.01300     0.00000    -0.05829     0.00000
           CX3              0.12275     0.00000    -0.07241     0.00000    -0.03371
           CY3             -0.06254     0.00000    -0.01465     0.00000     0.11753
           CZ3              0.00000     0.01698     0.00000     0.05729     0.00000
           CX4             -0.00199     0.00000     0.01144     0.00000     0.03463
           CY4             -0.03997     0.00000     0.00207     0.00000     0.00694
           CZ4              0.00000     0.06922     0.00000    -0.14270     0.00000
           CX5             -0.09911     0.00000    -0.07444     0.00000    -0.00307
           CY5             -0.08662     0.00000    -0.03906     0.00000    -0.11623
           CZ5              0.00000     0.01300     0.00000     0.05829     0.00000
           CX6             -0.12275     0.00000    -0.07241     0.00000     0.03371
           CY6              0.06254     0.00000    -0.01465     0.00000    -0.11753
           CZ6              0.00000     0.01698     0.00000    -0.05729     0.00000
           CX7              0.00537     0.00000     0.10295     0.00000     0.05312
           CY7              0.02315     0.00000     0.07512     0.00000     0.03970
           CZ7              0.00000    -0.09518     0.00000    -0.06731     0.00000
           CX8             -0.00537     0.00000     0.10295     0.00000    -0.05312
           CY8             -0.02315     0.00000     0.07512     0.00000    -0.03970
           CZ8              0.00000    -0.09518     0.00000     0.06731     0.00000
           HX9             -0.09759     0.00000    -0.11153     0.00000     0.09734
           HY9              0.08317     0.00000    -0.04912     0.00000    -0.07584
           HZ9              0.00000    -0.25300     0.00000    -0.15333     0.00000
           HX10             0.09759     0.00000    -0.11153     0.00000    -0.09734
           HY10            -0.08317     0.00000    -0.04912     0.00000     0.07584
           HZ10             0.00000    -0.25300     0.00000     0.15333     0.00000
           HX11             0.05713     0.00000    -0.12645     0.00000     0.09960
           HY11             0.10272     0.00000    -0.01981     0.00000     0.08807
           HZ11             0.00000    -0.25688     0.00000    -0.15690     0.00000
           HX12            -0.05713     0.00000    -0.12645     0.00000    -0.09960
           HY12            -0.10272     0.00000    -0.01981     0.00000    -0.08807
           HZ12             0.00000    -0.25688     0.00000     0.15690     0.00000
           CX13            -0.01003     0.00000     0.04591     0.00000     0.03305
           CY13             0.01491     0.00000    -0.00835     0.00000    -0.00211
           CZ13             0.00000     0.01422     0.00000     0.00632     0.00000
           CX14             0.01003     0.00000     0.04591     0.00000    -0.03305
           CY14            -0.01491     0.00000    -0.00835     0.00000     0.00211
           CZ14             0.00000     0.01422     0.00000    -0.00632     0.00000
           HX15             0.00136     0.00000     0.11066     0.00000     0.05825
           HY15             0.02401     0.00000     0.07776     0.00000     0.04222
           HZ15             0.00000     0.14583     0.00000     0.08572     0.00000
           HX16            -0.00136     0.00000     0.11066     0.00000    -0.05825
           HY16            -0.02401     0.00000     0.07776     0.00000    -0.04222
           HZ16             0.00000     0.14583     0.00000    -0.08572     0.00000
           HX17             0.00047     0.00000     0.10889     0.00000    -0.07987
           HY17             0.01746     0.00000    -0.20931     0.00000     0.15148
           HZ17             0.00000     0.35717     0.00000    -0.22418     0.00000
           HX18            -0.00047     0.00000     0.10889     0.00000     0.07987
           HY18            -0.01746     0.00000    -0.20931     0.00000    -0.15148
           HZ18             0.00000     0.35717     0.00000     0.22418     0.00000
           HX19             0.04714     0.00000    -0.14191     0.00000     0.09372
           HY19            -0.02080     0.00000     0.02011     0.00000    -0.01734
           HZ19             0.00000    -0.21053     0.00000     0.11658     0.00000
           HX20            -0.04714     0.00000    -0.14191     0.00000    -0.09372
           HY20             0.02080     0.00000     0.02011     0.00000     0.01734
           HZ20             0.00000    -0.21053     0.00000    -0.11658     0.00000
 
                             16 Bg       17 Au       18 Bg       19 Au       20 Bg 
 Wavenumbers [cm-1]          893.30      895.90      978.51      978.66     1017.74
 Intensities [km/mol]          0.00       26.40        0.00       36.30        0.00
 Intensities [relative]        0.00       26.87        0.00       36.95        0.00
           CX1              0.00000     0.00000     0.00000     0.00000     0.00000
           CY1              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ1              0.00128     0.09596     0.00319    -0.00498     0.01782
           CX2              0.00000     0.00000     0.00000     0.00000     0.00000
           CY2              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ2              0.06394    -0.05629     0.00138     0.00068    -0.06680
           CX3              0.00000     0.00000     0.00000     0.00000     0.00000
           CY3              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ3              0.06999    -0.06216    -0.00113     0.00315     0.06470
           CX4              0.00000     0.00000     0.00000     0.00000     0.00000
           CY4              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ4             -0.00128     0.09596    -0.00319    -0.00498    -0.01782
           CX5              0.00000     0.00000     0.00000     0.00000     0.00000
           CY5              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ5             -0.06394    -0.05629    -0.00138     0.00068     0.06680
           CX6              0.00000     0.00000     0.00000     0.00000     0.00000
           CY6              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ6             -0.06999    -0.06216     0.00113     0.00315    -0.06470
           CX7              0.00000     0.00000     0.00000     0.00000     0.00000
           CY7              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ7             -0.00029    -0.04763    -0.03505     0.03591    -0.01024
           CX8              0.00000     0.00000     0.00000     0.00000     0.00000
           CY8              0.00000     0.00000     0.00000     0.00000     0.00000
           CZ8              0.00029    -0.04763     0.03505     0.03591     0.01024
           HX9              0.00000     0.00000     0.00000     0.00000     0.00000
           HY9              0.00000     0.00000     0.00000     0.00000     0.00000
           HZ9              0.44875     0.35812    -0.01283    -0.01697     0.42816
           HX10             0.00000     0.00000     0.00000     0.00000     0.00000
           HY10             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ10            -0.44875     0.35812     0.01283    -0.01697    -0.42816
           HX11             0.00000     0.00000     0.00000     0.00000     0.00000
           HY11             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ11            -0.43258     0.34906    -0.00989    -0.00061     0.45019
           HX12             0.00000     0.00000     0.00000     0.00000     0.00000
           HY12             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ12             0.43258     0.34906     0.00989    -0.00061    -0.45019
           CX13             0.00000     0.00000     0.00000     0.00000     0.00000
           CY13             0.00000     0.00000     0.00000     0.00000     0.00000
           CZ13             0.00098     0.00095     0.10283    -0.10292     0.00277
           CX14             0.00000     0.00000     0.00000     0.00000     0.00000
           CY14             0.00000     0.00000     0.00000     0.00000     0.00000
           CZ14            -0.00098     0.00095    -0.10283    -0.10292    -0.00277
           HX15             0.00000     0.00000     0.00000     0.00000     0.00000
           HY15             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ15             0.00064     0.02756     0.01114    -0.01106    -0.02010
           HX16             0.00000     0.00000     0.00000     0.00000     0.00000
           HY16             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ16            -0.00064     0.02756    -0.01114    -0.01106     0.02010
           HX17             0.00000     0.00000     0.00000     0.00000     0.00000
           HY17             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ17             0.01465     0.14636     0.41739     0.41525    -0.02265
           HX18             0.00000     0.00000     0.00000     0.00000     0.00000
           HY18             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ18            -0.01465     0.14636    -0.41739     0.41525     0.02265
           HX19             0.00000     0.00000     0.00000     0.00000     0.00000
           HY19             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ19            -0.01441    -0.05675     0.42502     0.42567     0.03117
           HX20             0.00000     0.00000     0.00000     0.00000     0.00000
           HY20             0.00000     0.00000     0.00000     0.00000     0.00000
           HZ20             0.01441    -0.05675    -0.42502     0.42567    -0.03117
 
                             21 Au       22 Bu       23 Au       24 Bg       25 Bu 
 Wavenumbers [cm-1]         1036.25     1073.12     1108.81     1108.97     1115.01
 Intensities [km/mol]          0.00        0.38       13.03        0.00        8.09
 Intensities [relative]        0.00        0.39       13.26        0.00        8.23
           CX1              0.00000    -0.02524     0.00000     0.00000     0.02503
           CY1              0.00000    -0.00763     0.00000     0.00000     0.04936
           CZ1              0.00066     0.00000    -0.00062    -0.00167     0.00000
           CX2              0.00000    -0.00012     0.00000     0.00000    -0.01951
           CY2              0.00000     0.12335     0.00000     0.00000    -0.02363
           CZ2             -0.07529     0.00000    -0.00356    -0.00292     0.00000
           CX3              0.00000     0.03517     0.00000     0.00000     0.00762
           CY3              0.00000    -0.11111     0.00000     0.00000    -0.04643
           CZ3              0.07355     0.00000     0.00358    -0.00250     0.00000
           CX4              0.00000    -0.02524     0.00000     0.00000     0.02503
           CY4              0.00000    -0.00763     0.00000     0.00000     0.04936
           CZ4              0.00066     0.00000    -0.00062     0.00167     0.00000
           CX5              0.00000    -0.00012     0.00000     0.00000    -0.01951
           CY5              0.00000     0.12335     0.00000     0.00000    -0.02363
           CZ5             -0.07529     0.00000    -0.00356     0.00292     0.00000
           CX6              0.00000     0.03517     0.00000     0.00000     0.00762
           CY6              0.00000    -0.11111     0.00000     0.00000    -0.04643
           CZ6              0.07355     0.00000     0.00358     0.00250     0.00000
           CX7              0.00000    -0.00029     0.00000     0.00000     0.02555
           CY7              0.00000    -0.00165     0.00000     0.00000     0.04096
           CZ7              0.00020     0.00000    -0.05879    -0.05936     0.00000
           CX8              0.00000    -0.00029     0.00000     0.00000     0.02555
           CY8              0.00000    -0.00165     0.00000     0.00000     0.04096
           CZ8              0.00020     0.00000    -0.05879     0.05936     0.00000
           HX9              0.00000    -0.11537     0.00000     0.00000     0.02002
           HY9              0.00000    -0.23899     0.00000     0.00000    -0.04334
           HZ9             -0.41724     0.00000     0.00048     0.01585     0.00000
           HX10             0.00000    -0.11537     0.00000     0.00000     0.02002
           HY10             0.00000    -0.23899     0.00000     0.00000    -0.04334
           HZ10            -0.41724     0.00000     0.00048    -0.01585     0.00000
           HX11             0.00000    -0.16104     0.00000     0.00000    -0.18770
           HY11             0.00000     0.18890     0.00000     0.00000     0.03497
           HZ11             0.43541     0.00000     0.00791     0.02577     0.00000
           HX12             0.00000    -0.16104     0.00000     0.00000    -0.18770
           HY12             0.00000     0.18890     0.00000     0.00000     0.03497
           HZ12             0.43541     0.00000     0.00791    -0.02577     0.00000
           CX13             0.00000     0.01596     0.00000     0.00000    -0.05766
           CY13             0.00000     0.00540     0.00000     0.00000    -0.03772
           CZ13             0.00144     0.00000     0.00522     0.00531     0.00000
           CX14             0.00000     0.01596     0.00000     0.00000    -0.05766
           CY14             0.00000     0.00540     0.00000     0.00000    -0.03772
           CZ14             0.00144     0.00000     0.00522    -0.00531     0.00000
           HX15             0.00000    -0.01632     0.00000     0.00000     0.28191
           HY15             0.00000     0.00271     0.00000     0.00000    -0.01711
           HZ15            -0.00761     0.00000     0.55444     0.55378     0.00000
           HX16             0.00000    -0.01632     0.00000     0.00000     0.28191
           HY16             0.00000     0.00271     0.00000     0.00000    -0.01711
           HZ16            -0.00761     0.00000     0.55444    -0.55378     0.00000
           HX17             0.00000     0.03918     0.00000     0.00000    -0.16853
           HY17             0.00000    -0.06784     0.00000     0.00000     0.32274
           HZ17            -0.00005     0.00000    -0.22637     0.22550     0.00000
           HX18             0.00000     0.03918     0.00000     0.00000    -0.16853
           HY18             0.00000    -0.06784     0.00000     0.00000     0.32274
           HZ18            -0.00005     0.00000    -0.22637    -0.22550     0.00000
           HX19             0.00000    -0.05003     0.00000     0.00000     0.28039
           HY19             0.00000     0.01544     0.00000     0.00000    -0.08923
           HZ19            -0.01718     0.00000     0.30909    -0.30835     0.00000
           HX20             0.00000    -0.05003     0.00000     0.00000     0.28039
           HY20             0.00000     0.01544     0.00000     0.00000    -0.08923
           HZ20            -0.01718     0.00000     0.30909     0.30835     0.00000
 
                             26 Ag       27 Bu       28 Ag       29 Bu       30 Ag 
 Wavenumbers [cm-1]         1124.25     1206.12     1262.73     1284.79     1297.25
 Intensities [km/mol]          0.00        1.60        0.00        0.05        0.00
 Intensities [relative]        0.00        1.63        0.00        0.05        0.00
           CX1             -0.05561    -0.04273    -0.06684     0.12997     0.12654
           CY1             -0.01941     0.02737    -0.00219    -0.04393    -0.00246
           CZ1              0.00000     0.00000     0.00000     0.00000     0.00000
           CX2             -0.02761    -0.04677     0.02277    -0.04841     0.05671
           CY2             -0.01950    -0.02682    -0.03674     0.00163     0.03697
           CZ2              0.00000     0.00000     0.00000     0.00000     0.00000
           CX3              0.01938     0.07166    -0.00830     0.01775    -0.07009
           CY3             -0.03838    -0.01445    -0.03141     0.05631    -0.00452
           CZ3              0.00000     0.00000     0.00000     0.00000     0.00000
           CX4              0.05561    -0.04273     0.06684     0.12997    -0.12654
           CY4              0.01941     0.02737     0.00219    -0.04393     0.00246
           CZ4              0.00000     0.00000     0.00000     0.00000     0.00000
           CX5              0.02761    -0.04677    -0.02277    -0.04841    -0.05671
           CY5              0.01950    -0.02682     0.03674     0.00163    -0.03697
           CZ5              0.00000     0.00000     0.00000     0.00000     0.00000
           CX6             -0.01938     0.07166     0.00830     0.01775     0.07009
           CY6              0.03838    -0.01445     0.03141     0.05631     0.00452
           CZ6              0.00000     0.00000     0.00000     0.00000     0.00000
           CX7             -0.02209    -0.00935     0.02203    -0.01781    -0.03183
           CY7             -0.03865    -0.00823     0.02528    -0.02981    -0.04611
           CZ7              0.00000     0.00000     0.00000     0.00000     0.00000
           CX8              0.02209    -0.00935    -0.02203    -0.01781     0.03183
           CY8              0.03865    -0.00823    -0.02528    -0.02981     0.04611
           CZ8              0.00000     0.00000     0.00000     0.00000     0.00000
           HX9              0.02372     0.40324     0.29188    -0.12837     0.23801
           HY9              0.08039     0.24477     0.26431    -0.06207     0.12795
           HZ9              0.00000     0.00000     0.00000     0.00000     0.00000
           HX10            -0.02372     0.40324    -0.29188    -0.12837    -0.23801
           HY10            -0.08039     0.24477    -0.26431    -0.06207    -0.12795
           HZ10             0.00000     0.00000     0.00000     0.00000     0.00000
           HX11            -0.05648    -0.33121     0.43085    -0.32138     0.11719
           HY11            -0.01324     0.06931    -0.19198     0.10611     0.02842
           HZ11             0.00000     0.00000     0.00000     0.00000     0.00000
           HX12             0.05648    -0.33121    -0.43085    -0.32138    -0.11719
           HY12             0.01324     0.06931     0.19198     0.10611    -0.02842
           HZ12             0.00000     0.00000     0.00000     0.00000     0.00000
           CX13             0.07026     0.02301     0.00148    -0.01928    -0.01369
           CY13             0.03472     0.00457    -0.00886     0.00601     0.01895
           CZ13             0.00000     0.00000     0.00000     0.00000     0.00000
           CX14            -0.07026     0.02301    -0.00148    -0.01928     0.01369
           CY14            -0.03472     0.00457     0.00886     0.00601    -0.01895
           CZ14             0.00000     0.00000     0.00000     0.00000     0.00000
           HX15            -0.26285    -0.04001     0.11118    -0.20242    -0.22221
           HY15             0.01723    -0.00017     0.00923     0.00512    -0.01073
           HZ15             0.00000     0.00000     0.00000     0.00000     0.00000
           HX16             0.26285    -0.04001    -0.11118    -0.20242     0.22221
           HY16            -0.01723    -0.00017    -0.00923     0.00512     0.01073
           HZ16             0.00000     0.00000     0.00000     0.00000     0.00000
           HX17            -0.19017     0.06204    -0.00146    -0.03800     0.00944
           HY17             0.35079    -0.11844     0.00340     0.05404     0.01026
           HZ17             0.00000     0.00000     0.00000     0.00000     0.00000
           HX18             0.19017     0.06204     0.00146    -0.03800    -0.00944
           HY18            -0.35079    -0.11844    -0.00340     0.05404    -0.01026
           HZ18             0.00000     0.00000     0.00000     0.00000     0.00000
           HX19             0.27534    -0.04434    -0.05656    -0.05129     0.09686
           HY19            -0.08637     0.01369     0.01894     0.01354    -0.03519
           HZ19             0.00000     0.00000     0.00000     0.00000     0.00000
           HX20            -0.27534    -0.04434     0.05656    -0.05129    -0.09686
           HY20             0.08637     0.01369    -0.01894     0.01354     0.03519
           HZ20             0.00000     0.00000     0.00000     0.00000     0.00000
 
                             31 Bu       32 Ag       33 Bu       34 Ag       35 Bu 
 Wavenumbers [cm-1]         1351.31     1401.23     1432.80     1437.02     1515.67
 Intensities [km/mol]          9.23        0.00        8.60        0.00       18.30
 Intensities [relative]        9.40        0.00        8.75        0.00       18.63
           CX1              0.03532     0.01067     0.00896     0.00040    -0.00331
           CY1              0.12349     0.08334    -0.01476    -0.03470     0.08566
           CZ1              0.00000     0.00000     0.00000     0.00000     0.00000
           CX2              0.08254    -0.01502    -0.02821     0.01663    -0.07988
           CY2             -0.05344     0.00736    -0.00180    -0.00968    -0.04294
           CZ2              0.00000     0.00000     0.00000     0.00000     0.00000
           CX3             -0.06625    -0.03438     0.02314     0.01000     0.09906
           CY3             -0.04539    -0.01228     0.01429     0.01077     0.00930
           CZ3              0.00000     0.00000     0.00000     0.00000     0.00000
           CX4              0.03532    -0.01067     0.00896    -0.00040    -0.00331
           CY4              0.12349    -0.08334    -0.01476     0.03470     0.08566
           CZ4              0.00000     0.00000     0.00000     0.00000     0.00000
           CX5              0.08254     0.01502    -0.02821    -0.01663    -0.07988
           CY5             -0.05344    -0.00736    -0.00180     0.00968    -0.04294
           CZ5              0.00000     0.00000     0.00000     0.00000     0.00000
           CX6             -0.06625     0.03438     0.02314    -0.01000     0.09906
           CY6             -0.04539     0.01228     0.01429    -0.01077     0.00930
           CZ6              0.00000     0.00000     0.00000     0.00000     0.00000
           CX7             -0.03379    -0.02761    -0.01008    -0.00157    -0.04160
           CY7             -0.04501    -0.04620    -0.06269    -0.05193     0.00113
           CZ7              0.00000     0.00000     0.00000     0.00000     0.00000
           CX8             -0.03379     0.02761    -0.01008     0.00157    -0.04160
           CY8             -0.04501     0.04620    -0.06269     0.05193     0.00113
           CZ8              0.00000     0.00000     0.00000     0.00000     0.00000
           HX9             -0.05739    -0.28295    -0.02763     0.14512    -0.19401
           HY9             -0.04079    -0.24888    -0.02868     0.11501    -0.24438
           HZ9              0.00000     0.00000     0.00000     0.00000     0.00000
           HX10            -0.05739     0.28295    -0.02763    -0.14512    -0.19401
           HY10            -0.04079     0.24888    -0.02868    -0.11501    -0.24438
           HZ10             0.00000     0.00000     0.00000     0.00000     0.00000
           HX11            -0.16622     0.35160     0.01130    -0.17937     0.14548
           HY11             0.03732    -0.12822    -0.01904     0.06172    -0.14236
           HZ11             0.00000     0.00000     0.00000     0.00000     0.00000
           HX12            -0.16622    -0.35160     0.01130     0.17937     0.14548
           HY12             0.03732     0.12822    -0.01904    -0.06172    -0.14236
           HZ12             0.00000     0.00000     0.00000     0.00000     0.00000
           CX13             0.01236     0.00930    -0.01162    -0.01559     0.02187
           CY13             0.02561     0.03621     0.07277     0.06796    -0.00948
           CZ13             0.00000     0.00000     0.00000     0.00000     0.00000
           CX14             0.01236    -0.00930    -0.01162     0.01559     0.02187
           CY14             0.02561    -0.03621     0.07277    -0.06796    -0.00948
           CZ14             0.00000     0.00000     0.00000     0.00000     0.00000
           HX15            -0.06055     0.15480     0.49140     0.46965    -0.04727
           HY15            -0.04372    -0.09278    -0.18816    -0.16979     0.00537
           HZ15             0.00000     0.00000     0.00000     0.00000     0.00000
           HX16            -0.06055    -0.15480     0.49140    -0.46965    -0.04727
           HY16            -0.04372     0.09278    -0.18816     0.16979     0.00537
           HZ16             0.00000     0.00000     0.00000     0.00000     0.00000
           HX17             0.03778    -0.02703    -0.00430     0.00994     0.05978
           HY17            -0.06305     0.03018     0.01939    -0.02118    -0.11488
           HZ17             0.00000     0.00000     0.00000     0.00000     0.00000
           HX18             0.03778     0.02703    -0.00430    -0.00994     0.05978
           HY18            -0.06305    -0.03018     0.01939     0.02118    -0.11488
           HZ18             0.00000     0.00000     0.00000     0.00000     0.00000
           HX19            -0.11314     0.14513    -0.25853     0.22761     0.08187
           HY19             0.04748    -0.06483     0.12338    -0.11228    -0.02423
           HZ19             0.00000     0.00000     0.00000     0.00000     0.00000
           HX20            -0.11314    -0.14513    -0.25853    -0.22761     0.08187
           HY20             0.04748     0.06483     0.12338     0.11228    -0.02423
           HZ20             0.00000     0.00000     0.00000     0.00000     0.00000
 
                             36 Ag       37 Bu       38 Bu       39 Ag       40 Ag 
 Wavenumbers [cm-1]         1576.70     1587.05     1640.49     1691.57     1739.33
 Intensities [km/mol]          0.00        0.69       15.09        0.00        0.00
 Intensities [relative]        0.00        0.70       15.36        0.00        0.00
           CX1              0.02636    -0.01528     0.10228    -0.01786    -0.07962
           CY1              0.02298     0.03714     0.02484     0.13304    -0.01048
           CZ1              0.00000     0.00000     0.00000     0.00000     0.00000
           CX2              0.02568    -0.03341    -0.07277     0.05713     0.12285
           CY2             -0.01352     0.00171     0.04960    -0.07411    -0.01217
           CZ2              0.00000     0.00000     0.00000     0.00000     0.00000
           CX3             -0.00167     0.01744    -0.04381     0.02416    -0.11195
           CY3              0.01820    -0.02219    -0.07262     0.08777    -0.04857
           CZ3              0.00000     0.00000     0.00000     0.00000     0.00000
           CX4             -0.02636    -0.01528     0.10228     0.01786     0.07962
           CY4             -0.02298     0.03714     0.02484    -0.13304     0.01048
           CZ4              0.00000     0.00000     0.00000     0.00000     0.00000
           CX5             -0.02568    -0.03341    -0.07277    -0.05713    -0.12285
           CY5              0.01352     0.00171     0.04960     0.07411     0.01217
           CZ5              0.00000     0.00000     0.00000     0.00000     0.00000
           CX6              0.00167     0.01744    -0.04381    -0.02416     0.11195
           CY6             -0.01820    -0.02219    -0.07262    -0.08777     0.04857
           CZ6              0.00000     0.00000     0.00000     0.00000     0.00000
           CX7             -0.08725     0.07130    -0.02385    -0.00933     0.02196
           CY7              0.02757    -0.03197    -0.01161    -0.00595    -0.00374
           CZ7              0.00000     0.00000     0.00000     0.00000     0.00000
           CX8              0.08725     0.07130    -0.02385     0.00933    -0.02196
           CY8             -0.02757    -0.03197    -0.01161     0.00595     0.00374
           CZ8              0.00000     0.00000     0.00000     0.00000     0.00000
           HX9              0.03312     0.04675     0.23825     0.14083    -0.09681
           HY9              0.00357    -0.00730     0.14314     0.03157    -0.12852
           HZ9              0.00000     0.00000     0.00000     0.00000     0.00000
           HX10            -0.03312     0.04675     0.23825    -0.14083     0.09681
           HY10            -0.00357    -0.00730     0.14314    -0.03157     0.12852
           HZ10             0.00000     0.00000     0.00000     0.00000     0.00000
           HX11            -0.04686     0.11562     0.27971    -0.13324    -0.12998
           HY11             0.01280    -0.05640    -0.07210    -0.01416     0.08820
           HZ11             0.00000     0.00000     0.00000     0.00000     0.00000
           HX12             0.04686     0.11562     0.27971     0.13324     0.12998
           HY12            -0.01280    -0.05640    -0.07210     0.01416    -0.08820
           HZ12             0.00000     0.00000     0.00000     0.00000     0.00000
           CX13             0.00222     0.00679    -0.01130     0.02373    -0.00983
           CY13             0.01509    -0.01887     0.01271    -0.01627     0.00631
           CZ13             0.00000     0.00000     0.00000     0.00000     0.00000
           CX14            -0.00222     0.00679    -0.01130    -0.02373     0.00983
           CY14            -0.01509    -0.01887     0.01271     0.01627    -0.00631
           CZ14             0.00000     0.00000     0.00000     0.00000     0.00000
           HX15             0.18167    -0.22053    -0.01502    -0.08314    -0.02075
           HY15            -0.03075     0.03215    -0.01689     0.01299     0.00565
           HZ15             0.00000     0.00000     0.00000     0.00000     0.00000
           HX16            -0.18167    -0.22053    -0.01502     0.08314     0.02075
           HY16             0.03075     0.03215    -0.01689    -0.01299    -0.00565
           HZ16             0.00000     0.00000     0.00000     0.00000     0.00000
           HX17            -0.14201    -0.12629     0.01871     0.00597     0.00314
           HY17             0.40802     0.38695    -0.08916    -0.08636     0.01917
           HZ17             0.00000     0.00000     0.00000     0.00000     0.00000
           HX18             0.14201    -0.12629     0.01871    -0.00597    -0.00314
           HY18            -0.40802     0.38695    -0.08916     0.08636    -0.01917
           HZ18             0.00000     0.00000     0.00000     0.00000     0.00000
           HX19            -0.37127    -0.37368     0.06759     0.11634    -0.03470
           HY19             0.05500     0.05180     0.00016    -0.00537    -0.00074
           HZ19             0.00000     0.00000     0.00000     0.00000     0.00000
           HX20             0.37127    -0.37368     0.06759    -0.11634     0.03470
           HY20            -0.05500     0.05180     0.00016     0.00537     0.00074
           HZ20             0.00000     0.00000     0.00000     0.00000     0.00000
 
                             41 Ag       42 Bu       43 Bu       44 Ag       45 Bu 
 Wavenumbers [cm-1]         1819.66     1820.94     3395.37     3396.12     3435.25
 Intensities [km/mol]          0.00        1.59       98.24        0.00        4.10
 Intensities [relative]        0.00        1.61      100.00        0.00        4.18
           CX1             -0.00967    -0.02390    -0.00004     0.00007     0.00162
           CY1              0.02944     0.01407    -0.00018     0.00016     0.00033
           CZ1              0.00000     0.00000     0.00000     0.00000     0.00000
           CX2             -0.01702    -0.00545    -0.00004    -0.00015    -0.00021
           CY2             -0.00990    -0.00461    -0.00072     0.00017    -0.00062
           CZ2              0.00000     0.00000     0.00000     0.00000     0.00000
           CX3              0.02038     0.01006    -0.00093    -0.00064     0.00029
           CY3              0.02120    -0.00002     0.00128     0.00113     0.00015
           CZ3              0.00000     0.00000     0.00000     0.00000     0.00000
           CX4              0.00967    -0.02390    -0.00004    -0.00007     0.00162
           CY4             -0.02944     0.01407    -0.00018    -0.00016     0.00033
           CZ4              0.00000     0.00000     0.00000     0.00000     0.00000
           CX5              0.01702    -0.00545    -0.00004     0.00015    -0.00021
           CY5              0.00990    -0.00461    -0.00072    -0.00017    -0.00062
           CZ5              0.00000     0.00000     0.00000     0.00000     0.00000
           CX6             -0.02038     0.01006    -0.00093     0.00064     0.00029
           CY6             -0.02120    -0.00002     0.00128    -0.00113     0.00015
           CZ6              0.00000     0.00000     0.00000     0.00000     0.00000
           CX7              0.10750     0.11169    -0.00780     0.00776    -0.00951
           CY7             -0.06994    -0.06914    -0.01041     0.01033    -0.05783
           CZ7              0.00000     0.00000     0.00000     0.00000     0.00000
           CX8             -0.10750     0.11169    -0.00780    -0.00776    -0.00951
           CY8              0.06994    -0.06914    -0.01041    -0.01033    -0.05783
           CZ8              0.00000     0.00000     0.00000     0.00000     0.00000
           HX9              0.01284    -0.02059     0.00938    -0.00676    -0.00014
           HY9              0.00437    -0.02784    -0.01218     0.00893    -0.00016
           HZ9              0.00000     0.00000     0.00000     0.00000     0.00000
           HX10            -0.01284    -0.02059     0.00938     0.00676    -0.00014
           HY10            -0.00437    -0.02784    -0.01218    -0.00893    -0.00016
           HZ10             0.00000     0.00000     0.00000     0.00000     0.00000
           HX11             0.00397     0.00657     0.00265    -0.00006     0.00159
           HY11            -0.02099    -0.01109     0.00830    -0.00077     0.00793
           HZ11             0.00000     0.00000     0.00000     0.00000     0.00000
           HX12            -0.00397     0.00657     0.00265     0.00006     0.00159
           HY12             0.02099    -0.01109     0.00830     0.00077     0.00793
           HZ12             0.00000     0.00000     0.00000     0.00000     0.00000
           CX13            -0.09289    -0.09427     0.03595    -0.03598    -0.00984
           CY13             0.07558     0.07632    -0.03002     0.02998     0.01377
           CZ13             0.00000     0.00000     0.00000     0.00000     0.00000
           CX14             0.09289    -0.09427     0.03595     0.03598    -0.00984
           CY14            -0.07558     0.07632    -0.03002    -0.02998     0.01377
           CZ14             0.00000     0.00000     0.00000     0.00000     0.00000
           HX15            -0.14669    -0.14301     0.03807    -0.03776     0.14614
           HY15            -0.02756    -0.02658     0.16849    -0.16678     0.63290
           HZ15             0.00000     0.00000     0.00000     0.00000     0.00000
           HX16             0.14669    -0.14301     0.03807     0.03776     0.14614
           HY16             0.02756    -0.02658     0.16849     0.16678     0.63290
           HZ16             0.00000     0.00000     0.00000     0.00000     0.00000
           HX17             0.03519    -0.03665    -0.45122    -0.45150     0.08926
           HY17             0.17797    -0.17778    -0.14301    -0.14319     0.02822
           HZ17             0.00000     0.00000     0.00000     0.00000     0.00000
           HX18            -0.03519    -0.03665    -0.45122     0.45150     0.08926
           HY18            -0.17797    -0.17778    -0.14301     0.14319     0.02822
           HZ18             0.00000     0.00000     0.00000     0.00000     0.00000
           HX19            -0.21195     0.21597     0.07768     0.07775    -0.02644
           HY19            -0.04516     0.04538     0.45567     0.45623    -0.14226
           HZ19             0.00000     0.00000     0.00000     0.00000     0.00000
           HX20             0.21195     0.21597     0.07768    -0.07775    -0.02644
           HY20             0.04516     0.04538     0.45567    -0.45623    -0.14226
           HZ20             0.00000     0.00000     0.00000     0.00000     0.00000
 
                             46 Ag       47 Bu       48 Ag       49 Bu       50 Ag 
 Wavenumbers [cm-1]         3435.29     3444.72     3448.17     3464.62     3467.52
 Intensities [km/mol]          0.00        0.80        0.00        6.05        0.00
 Intensities [relative]        0.00        0.82        0.00        6.16        0.00
           CX1              0.00158    -0.00212    -0.00135    -0.00021     0.00220
           CY1              0.00032     0.00075     0.00272     0.00385     0.00124
           CZ1              0.00000     0.00000     0.00000     0.00000     0.00000
           CX2             -0.00063    -0.01668    -0.01712    -0.01311     0.01269
           CY2             -0.00173    -0.04913    -0.04919    -0.02749     0.02764
           CZ2              0.00000     0.00000     0.00000     0.00000     0.00000
           CX3             -0.00067    -0.01549    -0.01554     0.03454    -0.03464
           CY3              0.00054     0.02348     0.02280    -0.04025     0.04072
           CZ3              0.00000     0.00000     0.00000     0.00000     0.00000
           CX4             -0.00158    -0.00212     0.00135    -0.00021    -0.00220
           CY4             -0.00032     0.00075    -0.00272     0.00385    -0.00124
           CZ4              0.00000     0.00000     0.00000     0.00000     0.00000
           CX5              0.00063    -0.01668     0.01712    -0.01311    -0.01269
           CY5              0.00173    -0.04913     0.04919    -0.02749    -0.02764
           CZ5              0.00000     0.00000     0.00000     0.00000     0.00000
           CX6              0.00067    -0.01549     0.01554     0.03454     0.03464
           CY6             -0.00054     0.02348    -0.02280    -0.04025    -0.04072
           CZ6              0.00000     0.00000     0.00000     0.00000     0.00000
           CX7             -0.00954     0.00010     0.00032     0.00010    -0.00004
           CY7             -0.05783     0.00104     0.00183    -0.00008    -0.00071
           CZ7              0.00000     0.00000     0.00000     0.00000     0.00000
           CX8              0.00954     0.00010    -0.00032     0.00010     0.00004
           CY8              0.05783     0.00104    -0.00183    -0.00008     0.00071
           CZ8              0.00000     0.00000     0.00000     0.00000     0.00000
           HX9             -0.00474     0.20509    -0.20345    -0.36963    -0.37059
           HY9              0.00619    -0.25626     0.25295     0.45644     0.45811
           HZ9              0.00000     0.00000     0.00000     0.00000     0.00000
           HX10             0.00474     0.20509     0.20345    -0.36963     0.37059
           HY10            -0.00619    -0.25626    -0.25295     0.45644    -0.45811
           HZ10             0.00000     0.00000     0.00000     0.00000     0.00000
           HX11             0.00652     0.20313     0.20422     0.11410    -0.11209
           HY11             0.02094     0.55243     0.55395     0.30526    -0.30159
           HZ11             0.00000     0.00000     0.00000     0.00000     0.00000
           HX12            -0.00652     0.20313    -0.20422     0.11410     0.11209
           HY12            -0.02094     0.55243    -0.55395     0.30526     0.30159
           HZ12             0.00000     0.00000     0.00000     0.00000     0.00000
           CX13            -0.00971    -0.00083     0.00089     0.00100     0.00097
           CY13             0.01371     0.00021    -0.00033     0.00013     0.00028
           CZ13             0.00000     0.00000     0.00000     0.00000     0.00000
           CX14             0.00971    -0.00083    -0.00089     0.00100    -0.00097
           CY14            -0.01371     0.00021     0.00033     0.00013    -0.00028
           CZ14             0.00000     0.00000     0.00000     0.00000     0.00000
           HX15             0.14620    -0.00071    -0.00393    -0.00067    -0.00029
           HY15             0.63304    -0.01027    -0.02076    -0.00181     0.00554
           HZ15             0.00000     0.00000     0.00000     0.00000     0.00000
           HX16            -0.14620    -0.00071     0.00393    -0.00067     0.00029
           HY16            -0.63304    -0.01027     0.02076    -0.00181    -0.00554
           HZ16             0.00000     0.00000     0.00000     0.00000     0.00000
           HX17            -0.08780     0.01111     0.00791    -0.01012     0.01096
           HY17            -0.02776     0.00321     0.00254    -0.00310     0.00309
           HZ17             0.00000     0.00000     0.00000     0.00000     0.00000
           HX18             0.08780     0.01111    -0.00791    -0.01012    -0.01096
           HY18             0.02776     0.00321    -0.00254    -0.00310    -0.00309
           HZ18             0.00000     0.00000     0.00000     0.00000     0.00000
           HX19             0.02623    -0.00111    -0.00090     0.00035    -0.00005
           HY19             0.14093    -0.00711    -0.00638     0.00408    -0.00215
           HZ19             0.00000     0.00000     0.00000     0.00000     0.00000
           HX20            -0.02623    -0.00111     0.00090     0.00035     0.00005
           HY20            -0.14093    -0.00711     0.00638     0.00408     0.00215
           HZ20             0.00000     0.00000     0.00000     0.00000     0.00000
 
                             51 Bu       52 Ag 
 Wavenumbers [cm-1]         3546.79     3546.80
 Intensities [km/mol]          0.01        0.00
 Intensities [relative]        0.01        0.00
           CX1              0.00032    -0.00032
           CY1             -0.00014     0.00015
           CZ1              0.00000     0.00000
           CX2             -0.00002    -0.00007
           CY2              0.00003    -0.00009
           CZ2              0.00000     0.00000
           CX3              0.00025     0.00034
           CY3             -0.00031    -0.00039
           CZ3              0.00000     0.00000
           CX4              0.00032     0.00032
           CY4             -0.00014    -0.00015
           CZ4              0.00000     0.00000
           CX5             -0.00002     0.00007
           CY5              0.00003     0.00009
           CZ5              0.00000     0.00000
           CX6              0.00025    -0.00034
           CY6             -0.00031     0.00039
           CZ6              0.00000     0.00000
           CX7             -0.00067     0.00067
           CY7             -0.00324     0.00325
           CZ7              0.00000     0.00000
           CX8             -0.00067    -0.00067
           CY8             -0.00324    -0.00325
           CZ8              0.00000     0.00000
           HX9             -0.00337     0.00421
           HY9              0.00480    -0.00580
           HZ9              0.00000     0.00000
           HX10            -0.00337    -0.00421
           HY10             0.00480     0.00580
           HZ10             0.00000     0.00000
           HX11            -0.00004     0.00026
           HY11             0.00023     0.00060
           HZ11             0.00000     0.00000
           HX12            -0.00004    -0.00026
           HY12             0.00023    -0.00060
           HZ12             0.00000     0.00000
           CX13            -0.04417     0.04417
           CY13            -0.05018     0.05017
           CZ13             0.00000     0.00000
           CX14            -0.04417    -0.04417
           CY14            -0.05018    -0.05017
           CZ14             0.00000     0.00000
           HX15             0.00666    -0.00668
           HY15             0.03723    -0.03731
           HZ15             0.00000     0.00000
           HX16             0.00666     0.00668
           HY16             0.03723     0.03731
           HZ16             0.00000     0.00000
           HX17             0.45024     0.45027
           HY17             0.13639     0.13639
           HZ17             0.00000     0.00000
           HX18             0.45024    -0.45027
           HY18             0.13639    -0.13639
           HZ18             0.00000     0.00000
           HX19             0.07441     0.07440
           HY19             0.46298     0.46294
           HZ19             0.00000     0.00000
           HX20             0.07441    -0.07440
           HY20             0.46298    -0.46294
           HZ20             0.00000     0.00000


 Normal Modes of low/zero frequencies
 
                                  1           2           3           4           5
 Wavenumbers [cm-1]            0.00        0.00        0.00        0.00        0.00
 Intensities [km/mol]          0.00        0.00        0.00        0.00        0.00
 Intensities [relative]        0.00        0.00        0.00        0.00        0.00
           CX1              0.08785     0.00404    -0.00045    -0.00041    -0.00079
           CY1             -0.00535     0.06889     0.03533     0.00109     0.04439
           CZ1              0.00560    -0.05334     0.00738    -0.01795    -0.01057
           CX2              0.09187    -0.01074    -0.02698     0.01947     0.00499
           CY2             -0.00190     0.05619     0.01252     0.01818     0.04935
           CZ2              0.00526    -0.03253     0.02955     0.05142    -0.08520
           CX3              0.09102    -0.00762    -0.02138     0.01527     0.00377
           CY3              0.00325     0.03724    -0.02151     0.04368     0.05676
           CZ3              0.00467    -0.03896     0.05745     0.07327    -0.06214
           CX4              0.08610     0.01049     0.01114    -0.00909    -0.00331
           CY4              0.00519     0.03009    -0.03434     0.05329     0.05955
           CZ4              0.00440    -0.06662     0.06448     0.02657     0.03699
           CX5              0.08209     0.02527     0.03767    -0.02897    -0.00909
           CY5              0.00174     0.04280    -0.01153     0.03620     0.05459
           CZ5              0.00474    -0.08743     0.04231    -0.04279     0.11161
           CX6              0.08293     0.02215     0.03207    -0.02478    -0.00787
           CY6             -0.00340     0.06175     0.02250     0.01070     0.04718
           CZ6              0.00533    -0.08099     0.01441    -0.06465     0.08855
           CX7              0.08896    -0.00005    -0.00779     0.00509     0.00081
           CY7             -0.01081     0.08900     0.07143    -0.02596     0.03653
           CZ7              0.00622    -0.04535    -0.02205    -0.03860    -0.03920
           CX8              0.08499     0.01458     0.01848    -0.01459    -0.00491
           CY8              0.01065     0.00999    -0.07044     0.08034     0.06741
           CZ8              0.00378    -0.07461     0.09391     0.04722     0.06562
           HX9              0.07975     0.03388     0.05313    -0.04055    -0.01245
           HY9             -0.00596     0.07116     0.03940    -0.00196     0.04350
           HZ9              0.00558    -0.09757    -0.00218    -0.11857     0.14799
           HX10             0.09420    -0.01935    -0.04244     0.03105     0.00835
           HY10             0.00581     0.02783    -0.03841     0.05634     0.06044
           HZ10             0.00442    -0.02239     0.07403     0.12719    -0.12157
           HX11             0.09570    -0.02485    -0.05233     0.03846     0.01050
           HY11            -0.00331     0.06141     0.02190     0.01116     0.04731
           HZ11             0.00546    -0.01101     0.02460     0.08840    -0.16234
           HX12             0.07825     0.03938     0.06302    -0.04797    -0.01461
           HY12             0.00316     0.03758    -0.02091     0.04323     0.05663
           HZ12             0.00454    -0.10895     0.04726    -0.07978     0.18876
           CX13             0.08563     0.01224     0.01428    -0.01145    -0.00400
           CY13            -0.01453     0.10271     0.09606    -0.04441     0.03117
           CZ13             0.00659    -0.06236    -0.04523    -0.10161     0.02180
           CX14             0.08833     0.00229    -0.00359     0.00194    -0.00011
           CY14             0.01438    -0.00372    -0.09507     0.09879     0.07277
           CZ14             0.00341    -0.05760     0.11709     0.11023     0.00462
           HX15             0.09295    -0.01474    -0.03417     0.02486     0.00655
           HY15            -0.01172     0.09238     0.07750    -0.03050     0.03521
           HZ15             0.00636    -0.02314    -0.02411     0.00336    -0.11880
           HX16             0.08100     0.02927     0.04486    -0.03436    -0.01065
           HY16             0.01157     0.00661    -0.07651     0.08489     0.06873
           HZ16             0.00364    -0.09681     0.09597     0.00526     0.14522
           HX17             0.08714     0.00667     0.00427    -0.00395    -0.00182
           HY17             0.01828    -0.01809    -0.12086     0.11812     0.07839
           HZ17             0.00296    -0.06547     0.13782     0.12027     0.03285
           HX18             0.08681     0.00786     0.00642    -0.00556    -0.00229
           HY18            -0.01843     0.11708     0.12185    -0.06374     0.02555
           HZ18             0.00704    -0.05448    -0.06596    -0.11165    -0.00643
           HX19             0.09235    -0.01253    -0.03021     0.02189     0.00569
           HY19             0.01373    -0.00133    -0.09077     0.09557     0.07184
           HZ19             0.00352    -0.03529     0.11654     0.15428    -0.07535
           HX20             0.08160     0.02706     0.04090    -0.03139    -0.00979
           HY20            -0.01388     0.10032     0.09176    -0.04119     0.03210
           HZ20             0.00648    -0.08467    -0.04468    -0.14566     0.10176
 
                                  6           7           8
 Wavenumbers [cm-1]            0.00       50.28       83.62
 Intensities [km/mol]          0.00        0.00        0.00
 Intensities [relative]        0.00        0.00        0.00
           CX1             -0.00332     0.00000     0.00000
           CY1              0.04530     0.00000     0.00000
           CZ1              0.08683    -0.04491    -0.05445
           CX2             -0.00559     0.00000     0.00000
           CY2              0.04335     0.00000     0.00000
           CZ2              0.10929    -0.05801     0.02614
           CX3             -0.00511     0.00000     0.00000
           CY3              0.04044     0.00000     0.00000
           CZ3              0.07413    -0.05416     0.08394
           CX4             -0.00233     0.00000     0.00000
           CY4              0.03934     0.00000     0.00000
           CZ4              0.01466    -0.04491     0.05445
           CX5             -0.00007     0.00000     0.00000
           CY5              0.04129     0.00000     0.00000
           CZ5             -0.00781    -0.05801    -0.02614
           CX6             -0.00055     0.00000     0.00000
           CY6              0.04420     0.00000     0.00000
           CZ6              0.02736    -0.05416    -0.08394
           CX7             -0.00395     0.00000     0.00000
           CY7              0.04838     0.00000     0.00000
           CZ7              0.12626    -0.01155    -0.08800
           CX8             -0.00171     0.00000     0.00000
           CY8              0.03626     0.00000     0.00000
           CZ8             -0.02477    -0.01155     0.08800
           HX9              0.00125     0.00000     0.00000
           HY9              0.04564     0.00000     0.00000
           HZ9              0.00859    -0.05803    -0.15759
           HX10            -0.00691     0.00000     0.00000
           HY10             0.03899     0.00000     0.00000
           HZ10             0.09290    -0.05803     0.15759
           HX11            -0.00776     0.00000     0.00000
           HY11             0.04415     0.00000     0.00000
           HZ11             0.15515    -0.06238     0.05263
           HX12             0.00210     0.00000     0.00000
           HY12             0.04049     0.00000     0.00000
           HZ12            -0.05367    -0.06238    -0.05263
           CX13            -0.00207     0.00000     0.00000
           CY13             0.05049     0.00000     0.00000
           CZ13             0.11200     0.15089     0.09298
           CX14            -0.00359     0.00000     0.00000
           CY14             0.03415     0.00000     0.00000
           CZ14            -0.01051     0.15089    -0.09298
           HX15            -0.00621     0.00000     0.00000
           HY15             0.04890     0.00000     0.00000
           HZ15             0.17110    -0.11311    -0.24843
           HX16             0.00055     0.00000     0.00000
           HY16             0.03574     0.00000     0.00000
           HZ16            -0.06961    -0.11311     0.24843
           HX17            -0.00292     0.00000     0.00000
           HY17             0.03195     0.00000     0.00000
           HZ17            -0.04266     0.17223    -0.06340
           HX18            -0.00274     0.00000     0.00000
           HY18             0.05269     0.00000     0.00000
           HZ18             0.14414     0.17223     0.06340
           HX19            -0.00587     0.00000     0.00000
           HY19             0.03452     0.00000     0.00000
           HZ19             0.03331     0.27264    -0.28280
           HX20             0.00021     0.00000     0.00000
           HY20             0.05012     0.00000     0.00000
           HZ20             0.06818     0.27264     0.28280


 Zero point energy:  0.17704814 [H]    38857.57 [1/CM]      464.84 [KJ/MOL]

 Recomputing wavefunction at initial geometry


 **********************************************************************************************************************************
 DATASETS  * FILE   NREC   LENGTH (MB)   RECORD NAMES
              1      21        8.29       500      610      700      900      703      950      970     1001     1100     1400   
                                          VAR    BASINP    GEOM    SYMINP    GEOM     ZMAT    AOBASIS   BASIS      S        T 
                                         1410     1200     1210     1080     1600      129      960     1650     1300     1700   
                                           V       H0       H01     AOSYM     SMH      P2S    ABASIS   MOLCAS    ERIS     OPER   
                                         1800   
                                         GRID   
 
              2      15        1.85       700     1000     1800     1801     2100      701      702     1001     1800(1)  1801(1)
                                         GEOM     BASIS    GRID     GRID      RKS     GEOM     GEOM     BASIS    GRID     GRID   
                                         2101     5300     5400     5450      703   
                                          RKS     HESS     FREQ     NMOD     GEOM   
 
 PROGRAMS   *        TOTAL        KS        KS        KS        KS        KS        KS        KS        KS        KS        KS
 CPU TIMES  *      2279.58     24.14     25.80     25.74     25.74     24.14     24.36     25.69     24.22     24.13     28.89
 REAL TIME  *      3139.06 SEC
 DISK USED  *        27.07 MB      
 **********************************************************************************************************************************

        KS-SCF          KS-SCF          KS-SCF          KS-SCF          KS-SCF          KS-SCF          KS-SCF          KS-SCF  
   -382.05071119   -382.05070994   -382.05069045   -382.05069045   -382.05070881   -382.05070603   -382.05070994   -382.05070627
 **********************************************************************************************************************************
 Variable memory released