File: dvb_un_sp_b.out

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parent folder | download | duplicates (4)
rungamess: setting ftn058=/home/no228/Tools/cclib/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.pun
re-using scratch directory

 **********************************
 **** GAMESS-UK Input Data Set ****
 **********************************

 >>>>> TITLE
 >>>>> Divinylbenzene unrestricted singlepoint
 >>>>> CHARGE 1
 >>>>> MULT 2
 >>>>> GEOMETRY BOHR
 >>>>>         0.1166458     -2.7143888      0.0000000    6.00  c
 >>>>>        -0.1166458      2.7143888      0.0000000    6.00  c
 >>>>>        -2.2392860     -1.4172706      0.0000000    6.00  c
 >>>>>         2.2392860      1.4172706      0.0000000    6.00  c
 >>>>>        -2.3567551      1.2310707      0.0000000    6.00  c
 >>>>>         2.3567551     -1.2310707      0.0000000    6.00  c
 >>>>>        -4.0009447     -2.5162963      0.0000000    1.00  h
 >>>>>         4.0009447      2.5162963      0.0000000    1.00  h
 >>>>>        -4.2068094      2.1695281      0.0000000    1.00  h
 >>>>>         4.2068094     -2.1695281      0.0000000    1.00  h
 >>>>>        -0.1454108      5.5477077      0.0000000    6.00  c
 >>>>>         0.1454108     -5.5477077      0.0000000    6.00  c
 >>>>>         1.7354085      6.4378523      0.0000000    1.00  h
 >>>>>        -1.7354085     -6.4378523      0.0000000    1.00  h
 >>>>>        -2.2010031      7.0417896      0.0000000    6.00  c
 >>>>>         2.2010031     -7.0417896      0.0000000    6.00  c
 >>>>>        -4.1327529      6.2955339      0.0000000    1.00  h
 >>>>>         4.1327529     -6.2955339      0.0000000    1.00  h
 >>>>>        -2.0287924      9.1061355      0.0000000    1.00  h
 >>>>>         2.0287924     -9.1061355      0.0000000    1.00  h
 >>>>> END
 >>>>> IPRINT S
 >>>>> FORMAT HIGH
 >>>>> BASIS STO3G
 >>>>> RUNTYPE SCF
 >>>>> SCFTYPE UHF
 >>>>> DFT B3LYP
 >>>>> ENTER


                                   ****************************************************************
                                   *                                                              *
                                   *               ===  G A M E S S - U K    ===                  *
                                   *                                                              *
                                   * Generalised Atomic and Molecular Electronic Structure System *
                                   *                                                              *
                                   *               ===   Generic version  7.0  ===                *
                                   *                                                              *
                                   ****************************************************************

                                        Hostname  : sandwi                                      
                                        GAMESS-UK Executable: /home/no228/Tools/gamess/GAMESS-UK-7.0/bin/gamess                     
                                        Compiled on 05-09-2005 15:07 by jmht      
                                        job name   no228   
                                        date    Aug  4 2006
                                        time       13:54:48
                                        acct           1000

                                        job time specified      60000 minutes

                                        main store requested   4000000 real*8  words



 local       status  external file name
 file name 
 ********************************************************************************
 ft58        unknown  /home/no228/Tools/cclib/cclib/data/GAMESS-UK/basicGAMESS-UK/dvb_un_sp_b.pun     


          ******************************************************************************************
          *                                                                                        *
          *    divinylbenzene unrestricted singlepoint                                             *
          *                                                                                        *
          ******************************************************************************************



                              coordinates (a.u.) - prior to orientation
 ------------------------------------------------------------------------
                 atom                x              y              z

              1  c                0.116646      -2.714389       0.000000 optimise
              2  c               -0.116646       2.714389       0.000000 optimise
              3  c               -2.239286      -1.417271       0.000000 optimise
              4  c                2.239286       1.417271       0.000000 optimise
              5  c               -2.356755       1.231071       0.000000 optimise
              6  c                2.356755      -1.231071       0.000000 optimise
              7  h               -4.000945      -2.516296       0.000000 optimise
              8  h                4.000945       2.516296       0.000000 optimise
              9  h               -4.206809       2.169528       0.000000 optimise
             10  h                4.206809      -2.169528       0.000000 optimise
             11  c               -0.145411       5.547708       0.000000 optimise
             12  c                0.145411      -5.547708       0.000000 optimise
             13  h                1.735409       6.437852       0.000000 optimise
             14  h               -1.735409      -6.437852       0.000000 optimise
             15  c               -2.201003       7.041790       0.000000 optimise
             16  c                2.201003      -7.041790       0.000000 optimise
             17  h               -4.132753       6.295534       0.000000 optimise
             18  h                4.132753      -6.295534       0.000000 optimise
             19  h               -2.028792       9.106136       0.000000 optimise
             20  h                2.028792      -9.106136       0.000000 optimise

 ------------------------------------------------------------------------

 ---------------------
 this is a startup job
 ---------------------
    dump file on ed3  starting at block     1
 scratch file on ed7  starting at block     1

 --------------------------------------------------------------------------------------------------------

                                        ******************
                                        molecular symmetry
                                        ******************

 molecular point group    cnh     
 order of principal axis   2

 symmetry points :

 point 1 :    0.0000000   0.0000000   0.0000000
 point 2 :    0.0000000   0.0000000   1.0000000
 point 3 :    0.0000000   1.0000000   0.0000000

 directional parameter - parallel


 --------------------------------------------------------------------------------------------------------

                                        ******************
                                        molecular geometry
                                        ******************

 ****************************************
 * basis selected is sto     sto3g      *
 ****************************************

         *******************************************************************************
         *                                                                             *
         *     atom   atomic                coordinates                 number of      *
         *            charge       x             y              z       shells         *
         *                                                                             *
         *******************************************************************************
         *                                                                             *
         *                                                                             *
         *    c         6.0  -0.5138755     -2.6678540      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0   0.5138755      2.6678540      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0  -2.5062219     -0.8613418      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0   2.5062219      0.8613418      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0  -2.0084126      1.7424433      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0   2.0084126     -1.7424433      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    h         1.0  -4.4741943     -1.5234470      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0   4.4741943      1.5234470      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0  -3.5914740      3.0830848      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0   3.5914740     -3.0830848      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    c         6.0   1.1407401      5.4311064      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0  -1.1407401     -5.4311064      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    h         1.0   3.1763691      5.8624452      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0  -3.1763691     -5.8624452      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    c         6.0  -0.5138755      7.3598334      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    c         6.0   0.5138755     -7.3598334      0.0000000       2          *
         *                                                                1s  2sp      *
         *                                                                             *
         *                                                                             *
         *    h         1.0  -2.5657997      7.0802589      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0   2.5657997     -7.0802589      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0   0.1307943      9.3284830      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *                                                                             *
         *    h         1.0  -0.1307943     -9.3284830      0.0000000       1          *
         *                                                                1s           *
         *                                                                             *
         *******************************************************************************


                                        *******************
                                        molecular basis set
                                        *******************


                                        ==============================
                                        contracted primitive functions
                                        ==============================

 atom        shell   type  prim       exponents            contraction coefficients
 =================================================================================================================

 c       


                 3   1s       1       71.616837       2.707814  (    0.154329  )
                 3   1s       2       13.045096       2.618880  (    0.535328  )
                 3   1s       3        3.530512       0.816191  (    0.444635  )


                 4   2sp      4        2.941249      -0.160017  (   -0.099967  )       0.856045  (    0.155916  )
                 4   2sp      5        0.683483       0.214036  (    0.399513  )       0.538304  (    0.607684  )
                 4   2sp      6        0.222290       0.161536  (    0.700115  )       0.085276  (    0.391957  )

 c       


                 7   1s       7       71.616837       2.707814  (    0.154329  )
                 7   1s       8       13.045096       2.618880  (    0.535328  )
                 7   1s       9        3.530512       0.816191  (    0.444635  )


                 8   2sp     10        2.941249      -0.160017  (   -0.099967  )       0.856045  (    0.155916  )
                 8   2sp     11        0.683483       0.214036  (    0.399513  )       0.538304  (    0.607684  )
                 8   2sp     12        0.222290       0.161536  (    0.700115  )       0.085276  (    0.391957  )

 c       


                11   1s      13       71.616837       2.707814  (    0.154329  )
                11   1s      14       13.045096       2.618880  (    0.535328  )
                11   1s      15        3.530512       0.816191  (    0.444635  )


                12   2sp     16        2.941249      -0.160017  (   -0.099967  )       0.856045  (    0.155916  )
                12   2sp     17        0.683483       0.214036  (    0.399513  )       0.538304  (    0.607684  )
                12   2sp     18        0.222290       0.161536  (    0.700115  )       0.085276  (    0.391957  )

 h       


                14   1s      19        3.425251       0.276934  (    0.154329  )
                14   1s      20        0.623914       0.267839  (    0.535328  )
                14   1s      21        0.168855       0.083474  (    0.444635  )

 h       


                16   1s      22        3.425251       0.276934  (    0.154329  )
                16   1s      23        0.623914       0.267839  (    0.535328  )
                16   1s      24        0.168855       0.083474  (    0.444635  )

 c       


                19   1s      25       71.616837       2.707814  (    0.154329  )
                19   1s      26       13.045096       2.618880  (    0.535328  )
                19   1s      27        3.530512       0.816191  (    0.444635  )


                20   2sp     28        2.941249      -0.160017  (   -0.099967  )       0.856045  (    0.155916  )
                20   2sp     29        0.683483       0.214036  (    0.399513  )       0.538304  (    0.607684  )
                20   2sp     30        0.222290       0.161536  (    0.700115  )       0.085276  (    0.391957  )

 h       


                22   1s      31        3.425251       0.276934  (    0.154329  )
                22   1s      32        0.623914       0.267839  (    0.535328  )
                22   1s      33        0.168855       0.083474  (    0.444635  )

 c       


                25   1s      34       71.616837       2.707814  (    0.154329  )
                25   1s      35       13.045096       2.618880  (    0.535328  )
                25   1s      36        3.530512       0.816191  (    0.444635  )


                26   2sp     37        2.941249      -0.160017  (   -0.099967  )       0.856045  (    0.155916  )
                26   2sp     38        0.683483       0.214036  (    0.399513  )       0.538304  (    0.607684  )
                26   2sp     39        0.222290       0.161536  (    0.700115  )       0.085276  (    0.391957  )

 h       


                28   1s      40        3.425251       0.276934  (    0.154329  )
                28   1s      41        0.623914       0.267839  (    0.535328  )
                28   1s      42        0.168855       0.083474  (    0.444635  )

 h       


                30   1s      43        3.425251       0.276934  (    0.154329  )
                30   1s      44        0.623914       0.267839  (    0.535328  )
                30   1s      45        0.168855       0.083474  (    0.444635  )
 =================================================================================================================

 total number of shells                  30
 total number of basis functions         60
 number of electrons                     69
 charge of molecule                       1
 state multiplicity                       2
 number of occupied orbitals (alpha)     35
 number of occupied orbitals (beta )     34
 total number of atoms                   20

 Supermatrix option switched off for DFT

 **************************************************** 
 *            JOB OPTIONS in EFFECT                 * 
 **************************************************** 
 * RUN TYPE                                scf      *
 * SCF TYPE                                uhf      *
 * Molecular orbital starting point        atoms    *
 * Route   a-vectors to section                   2 *
 * Route   b-vectors to section                   3 *
 **************************************************** 

 ****************************************************** 
 *        SCF CONVERGENCE CONTROLS in EFFECT          * 
 ****************************************************** 
 * Wavefunction convergence                    1.0e-5 *
 * Symmetrize Kohn-Sham matrix                        *
 * Level shifting                                     *
 * Level shifter =    1.000 to cycle999 then    0.000 *
 * Beta hamiltonian :-                                *
 * Occupied-occupied orbital mixing                   *
 * Level shifter =    1.000 to cycle999 then    0.000 *
 * Commence diis treatment at threshold of    0.10000 *
 * Finish diis when residuum less than   0.100000E-09 *
 ****************************************************** 


 2-electron ao integral files    
 ----------------------------

         ddnames   ed2 
 starting blocks     1
 terminal blocks     0

 **************************************************** 
 * 2-electron integral options                      * 
 **************************************************** 
 * prefactor tolerance for integrals        1.0e-20 *
 * integral cutoff                          1.0e- 9 *
 * starting shells                    1   1   1   1 *
 * generate integrals in non-supermatrix form       *
 * apply schwarz inequality screening               *
 ****************************************************


 --------------------------------------------------------------------------------------------------------


                                        ===============================
                                        bond lengths in bohr (angstrom)
                                        ===============================


  1--3  2.6894108   1--6  2.6866936   1-12  2.8334649   2--4  2.6894108   2--5  2.6866936   2-11  2.8334649   3--5  2.6509452
       (1.4231750)       (1.4217371)       (1.4994052)       (1.4231750)       (1.4217371)       (1.4994052)       (1.4028199)


  3--7  2.0763667   4--6  2.6509452   4--8  2.0763667   5--9  2.0744646   6-10  2.0744646  11-13  2.0808264  11-15  2.5412085
       (1.0987660)       (1.4028199)       (1.0987660)       (1.0977594)       (1.0977594)       (1.1011260)       (1.3447497)


 12-14  2.0808264  12-16  2.5412085  15-17  2.0708826  15-19  2.0715165  16-18  2.0708826  16-20  2.0715165
       (1.1011260)       (1.3447497)       (1.0958640)       (1.0961994)       (1.0958640)       (1.0961994)


                                        ===========
                                        bond angles
                                        ===========


  1--3--5  121.375832   1--3--7  119.205573   1--6--4  120.971332   1--6-10  119.592107   1-12-14  114.745350   1-12-16  126.592736

  2--4--6  121.375832   2--4--8  119.205573   2--5--3  120.971332   2--5--9  119.592107   2-11-13  114.745350   2-11-15  126.592736

  3--1--6  117.652836   3--1-12  119.417771   3--5--9  119.436561   4--2--5  117.652836   4--2-11  119.417771   4--6-10  119.436561

  5--2-11  122.929393   5--3--7  119.418595   6--1-12  122.929393   6--4--8  119.418595  11-15-17  122.866852  11-15-19  121.242411

 12-16-18  122.866852  12-16-20  121.242411  13-11-15  118.661914  14-12-16  118.661914  17-15-19  115.890737  18-16-20  115.890737


                                        ===============
                                        dihedral angles
                                        ===============

  6--1--3--5    0.000000   6--1--3--7  180.000000  12--1--3--5  180.000000  12--1--3--7    0.000000   3--1--6--4    0.000000

  3--1--6-10 -180.000000  12--1--6--4  180.000000  12--1--6-10    0.000000   3--1-12-14    0.000000   3--1-12-16  180.000000

  6--1-12-14 -180.000000   6--1-12-16    0.000000   5--2--4--6    0.000000   5--2--4--8  180.000000  11--2--4--6  180.000000

 11--2--4--8    0.000000   4--2--5--3    0.000000   4--2--5--9  180.000000  11--2--5--3  180.000000  11--2--5--9    0.000000

  4--2-11-13    0.000000   4--2-11-15  180.000000   5--2-11-13 -180.000000   5--2-11-15    0.000000   1--3--5--2    0.000000

  1--3--5--9  180.000000   7--3--5--2  180.000000   7--3--5--9    0.000000   2--4--6--1    0.000000   2--4--6-10  180.000000

  8--4--6--1  180.000000   8--4--6-10    0.000000   2-11-15-17    0.000000   2-11-15-19 -180.000000  13-11-15-17  180.000000

 13-11-15-19    0.000000   1-12-16-18    0.000000   1-12-16-20 -180.000000  14-12-16-18  180.000000  14-12-16-20    0.000000

 CCP1 DFT Job Options          
 ==============================

 Coulomb
 -------
 Four centre integrals used
 Four centre integrals used for derivatives
 
 Exchange/Correlation
 --------------------
 B3LYP exchange-correlation functional selected
 (P.J. Stephens, F.J. Devlin, C.F. Chabalowski, M.J. Frisch, J.Phys.Chem. 98 (19
 94) 11623-11627)
 Using   20.00% Hartree-Fock exchange

 Quadrature Grid
 ---------------
 H  
 Atom numbers:
      7   8   9  10  13  14  17  18  19  20
 Radial grid : Logarithmic    scale=  1.0000 alpha=  3.3051 npts=  25 m=  3.0000 psitol=0.1E-06
 3.3*Bragg-Slater radius scale factors
 Angular grid: Lebedev        using MHL    pruning
 No ang. grid points for interval (boundaries are fractions of atom radius):
       6 0.028   14 0.043   26 0.059   38 0.071   50 0.082   74 0.099   86 0.107  110 0.121  146 0.139  170 0.150
     194 0.161  230 0.175  266 0.188  302
 Atom size for radius dependent angular grid pruning   =     1.001554774 Bohr
 Atom size for weighting scheme atomic size adjustments=     1.001554774 Bohr
 C  
 Atom numbers:
      1   2   3   4   5   6  11  12  15  16
 Radial grid : Logarithmic    scale=  1.0000 alpha=  4.3653 npts=  35 m=  3.0000 psitol=0.1E-06
 3.3*Bragg-Slater radius scale factors
 Angular grid: Lebedev        using MHL    pruning
 No ang. grid points for interval (boundaries are fractions of atom radius):
       6 0.037   14 0.057   26 0.078   38 0.094   50 0.108   74 0.131   86 0.141  110 0.160  146 0.184  170 0.198
     194 0.212  230 0.231  266 0.248  302
 Atom size for radius dependent angular grid pruning   =     1.322808192 Bohr
 Atom size for weighting scheme atomic size adjustments=     1.322808192 Bohr
 Tolerance on density matrix elements    =   1.000000000000000E-010
 Tolerance on maximum density in a batch =   1.000000000000000E-010
 Tolerance on weight of a grid point     =   9.999999999999999E-021
 Murray/Handy/Laming 8 Stratmann/Scuseria/Frisch weights
 Evaluation of gradients without the gradients of the quadrature

 ========================================================================================================
                                             list of 1-electron integrals in section   492
                                             -------------------------------------------

 potnuc,dx,dy,dz =        445.59072821         0.00000000         0.00000000         0.00000000

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

                                     s-matrix over gaussian basis set
                                   ----------------------------------



                1             2             3             4             5             6             7             8


         1     1.0000000     0.2483624     0.0000000     0.0000000     0.0000000     0.0000000     0.0002928    -0.0001514
         2     0.2483624     1.0000000     0.0000000     0.0000000     0.0000000     0.0002928     0.0214609    -0.0066438
         3     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0001514     0.0066438     0.0059425
         4     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0007860     0.0344921    -0.0114632
         5     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000
         6     0.0000000     0.0002928     0.0001514     0.0007860     0.0000000     1.0000000     0.2483624     0.0000000
         7     0.0002928     0.0214609     0.0066438     0.0344921     0.0000000     0.2483624     1.0000000     0.0000000
         8    -0.0001514    -0.0066438     0.0059425    -0.0114632     0.0000000     0.0000000     0.0000000     1.0000000
         9    -0.0007860    -0.0344921    -0.0114632    -0.0513621     0.0000000     0.0000000     0.0000000     0.0000000
        10     0.0000000     0.0000000     0.0000000     0.0000000     0.0081505     0.0000000     0.0000000     0.0000000
        11     0.0000006     0.0354737    -0.0436000     0.0395333     0.0000000     0.0000000     0.0015788    -0.0024033
        12     0.0354737     0.3531522    -0.2811093     0.2548891     0.0000000     0.0015788     0.0560328    -0.0541543
        13     0.0436000     0.2811093    -0.0872026     0.2642457     0.0000000     0.0024033     0.0541543    -0.0343750
        14    -0.0395333    -0.2548891     0.2642457    -0.0353726     0.0000000     0.0028084     0.0632831    -0.0673223
        15     0.0000000     0.0000000     0.0000000     0.0000000     0.2042258     0.0000000     0.0000000     0.0000000
        16     0.0000000     0.0015788     0.0024033     0.0028084     0.0000000     0.0000006     0.0354737     0.0436000
        17     0.0015788     0.0560328     0.0541543     0.0632831     0.0000000     0.0354737     0.3531522     0.2811093
        18    -0.0024033    -0.0541543    -0.0343750    -0.0673223     0.0000000    -0.0436000    -0.2811093    -0.0872026
        19    -0.0028084    -0.0632831    -0.0673223    -0.0554349     0.0000000     0.0395333     0.2548891     0.2642457
        20     0.0000000     0.0000000     0.0000000     0.0000000     0.0232358     0.0000000     0.0000000     0.0000000
        21     0.0000000     0.0015430    -0.0011623     0.0034298     0.0000000     0.0000006     0.0355971    -0.0554423
        22     0.0015430     0.0552947    -0.0264200     0.0779639     0.0000000     0.0355971     0.3538590    -0.3567340
        23     0.0011623     0.0264200     0.0090080     0.0409855     0.0000000     0.0554423     0.3567340    -0.2638111
        24    -0.0034298    -0.0779639     0.0409855    -0.0980490     0.0000000     0.0203414     0.1308833    -0.1719167
        25     0.0000000     0.0000000     0.0000000     0.0000000     0.0228969     0.0000000     0.0000000     0.0000000
        26     0.0000006     0.0355971     0.0554423     0.0203414     0.0000000     0.0000000     0.0015430     0.0011623
        27     0.0355971     0.3538590     0.3567340     0.1308833     0.0000000     0.0015430     0.0552947     0.0264200
        28    -0.0554423    -0.3567340    -0.2638111    -0.1719167     0.0000000    -0.0011623    -0.0264200     0.0090080
        29    -0.0203414    -0.1308833    -0.1719167     0.1416878     0.0000000     0.0034298     0.0779639     0.0409855
        30     0.0000000     0.0000000     0.0000000     0.0000000     0.2047629     0.0000000     0.0000000     0.0000000
        31     0.0050782     0.0928184    -0.1157354     0.0334439     0.0000000     0.0000801     0.0059118    -0.0075490
        32     0.0000801     0.0059118     0.0075490     0.0063432     0.0000000     0.0050782     0.0928184     0.1157354
        33     0.0000788     0.0058536    -0.0046097     0.0086138     0.0000000     0.0050511     0.0924629    -0.1194586
        34     0.0050511     0.0924629     0.1194586    -0.0120825     0.0000000     0.0000788     0.0058536     0.0046097
        35     0.0000000     0.0000001     0.0000001     0.0000003     0.0000000     0.0000001     0.0294360     0.0108643
        36     0.0000001     0.0002513     0.0001117     0.0005465     0.0000000     0.0294360     0.3168879     0.0777450
        37    -0.0000001    -0.0001117     0.0000305    -0.0002458     0.0000000    -0.0108643    -0.0777450     0.1530577
        38    -0.0000003    -0.0005465    -0.0002458    -0.0011226     0.0000000    -0.0478904    -0.3427040    -0.1072498
        39     0.0000000     0.0000000     0.0000000     0.0000000     0.0000808     0.0000000     0.0000000     0.0000000
        40     0.0000001     0.0294360    -0.0108643    -0.0478904     0.0000000     0.0000000     0.0000001    -0.0000001
        41     0.0294360     0.3168879    -0.0777450    -0.3427040     0.0000000     0.0000001     0.0002513    -0.0001117
        42     0.0108643     0.0777450     0.1530577    -0.1072498     0.0000000     0.0000001     0.0001117     0.0000305
        43     0.0478904     0.3427040    -0.1072498    -0.2953745     0.0000000     0.0000003     0.0005465    -0.0002458
        44     0.0000000     0.0000000     0.0000000     0.0000000     0.1773882     0.0000000     0.0000000     0.0000000
        45     0.0000001     0.0000783     0.0000671     0.0001551     0.0000000     0.0048334     0.0895894     0.0747818
        46     0.0048334     0.0895894    -0.0747818    -0.0897269     0.0000000     0.0000001     0.0000783    -0.0000671
        47     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0011499    -0.0005953
        48     0.0000000     0.0000069     0.0000000     0.0000183     0.0000000     0.0011499     0.0466757    -0.0151509
        49     0.0000000     0.0000000     0.0000022     0.0000000     0.0000000     0.0005953     0.0151509     0.0136069
        50     0.0000000    -0.0000183     0.0000000    -0.0000464     0.0000000    -0.0027177    -0.0691681     0.0245716
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000022     0.0000000     0.0000000     0.0000000
        52     0.0000000     0.0011499     0.0005953    -0.0027177     0.0000000     0.0000000     0.0000000     0.0000000
        53     0.0011499     0.0466757     0.0151509    -0.0691681     0.0000000     0.0000000     0.0000069     0.0000000
        54    -0.0005953    -0.0151509     0.0136069     0.0245716     0.0000000     0.0000000     0.0000000     0.0000022
        55     0.0027177     0.0691681     0.0245716    -0.0931872     0.0000000     0.0000000     0.0000183     0.0000000
        56     0.0000000     0.0000000     0.0000000     0.0000000     0.0189891     0.0000000     0.0000000     0.0000000
        57     0.0000000     0.0000227    -0.0000107     0.0000509     0.0000000     0.0007207     0.0242370    -0.0207680
        58     0.0007207     0.0242370     0.0207680    -0.0297553     0.0000000     0.0000000     0.0000227     0.0000107
        59     0.0000000     0.0000003     0.0000000     0.0000008     0.0000000     0.0000572     0.0047932    -0.0004656
        60     0.0000572     0.0047932     0.0004656    -0.0080958     0.0000000     0.0000000     0.0000003     0.0000000


                9            10            11            12            13            14            15            16


         1    -0.0007860     0.0000000     0.0000006     0.0354737     0.0436000    -0.0395333     0.0000000     0.0000000
         2    -0.0344921     0.0000000     0.0354737     0.3531522     0.2811093    -0.2548891     0.0000000     0.0015788
         3    -0.0114632     0.0000000    -0.0436000    -0.2811093    -0.0872026     0.2642457     0.0000000     0.0024033
         4    -0.0513621     0.0000000     0.0395333     0.2548891     0.2642457    -0.0353726     0.0000000     0.0028084
         5     0.0000000     0.0081505     0.0000000     0.0000000     0.0000000     0.0000000     0.2042258     0.0000000
         6     0.0000000     0.0000000     0.0000000     0.0015788     0.0024033     0.0028084     0.0000000     0.0000006
         7     0.0000000     0.0000000     0.0015788     0.0560328     0.0541543     0.0632831     0.0000000     0.0354737
         8     0.0000000     0.0000000    -0.0024033    -0.0541543    -0.0343750    -0.0673223     0.0000000     0.0436000
         9     1.0000000     0.0000000    -0.0028084    -0.0632831    -0.0673223    -0.0554349     0.0000000    -0.0395333
        10     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0232358     0.0000000
        11    -0.0028084     0.0000000     1.0000000     0.2483624     0.0000000     0.0000000     0.0000000     0.0000000
        12    -0.0632831     0.0000000     0.2483624     1.0000000     0.0000000     0.0000000     0.0000000     0.0003967
        13    -0.0673223     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0010006
        14    -0.0554349     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0003439
        15     0.0000000     0.0232358     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000
        16    -0.0395333     0.0000000     0.0000000     0.0003967     0.0010006     0.0003439     0.0000000     1.0000000
        17    -0.2548891     0.0000000     0.0003967     0.0254647     0.0388100     0.0133383     0.0000000     0.2483624
        18     0.2642457     0.0000000    -0.0010006    -0.0388100    -0.0539345    -0.0219056     0.0000000     0.0000000
        19    -0.0353726     0.0000000    -0.0003439    -0.0133383    -0.0219056     0.0022751     0.0000000     0.0000000
        20     0.0000000     0.2042258     0.0000000     0.0000000     0.0000000     0.0000000     0.0098037     0.0000000
        21    -0.0203414     0.0000000     0.0000008     0.0372572     0.0116008     0.0606777     0.0000000     0.0000000
        22    -0.1308833     0.0000000     0.0372572     0.3632347     0.0726486     0.3799876     0.0000000     0.0017252
        23    -0.1719167     0.0000000    -0.0116008    -0.0726486     0.1929053    -0.0995552     0.0000000     0.0039266
        24     0.1416878     0.0000000    -0.0606777    -0.3799876    -0.0995552    -0.3087833     0.0000000    -0.0007663
        25     0.0000000     0.2047629     0.0000000     0.0000000     0.0000000     0.0000000     0.2119390     0.0000000
        26    -0.0034298     0.0000000     0.0000000     0.0017252     0.0039266    -0.0007663     0.0000000     0.0000008
        27    -0.0779639     0.0000000     0.0017252     0.0589826     0.0855443    -0.0166953     0.0000000     0.0372572
        28     0.0409855     0.0000000    -0.0039266    -0.0855443    -0.1122075     0.0266995     0.0000000     0.0116008
        29    -0.0980490     0.0000000     0.0007663     0.0166953     0.0266995     0.0193859     0.0000000     0.0606777
        30     0.0000000     0.0228969     0.0000000     0.0000000     0.0000000     0.0000000     0.0245967     0.0000000
        31    -0.0063432     0.0000000     0.0610139     0.4857219    -0.4400129    -0.1480381     0.0000000     0.0000114
        32    -0.0334439     0.0000000     0.0000114     0.0017764     0.0030323     0.0010360     0.0000000     0.0610139
        33     0.0120825     0.0000000     0.0052981     0.0956866    -0.0328174     0.1192771     0.0000000     0.0000845
        34    -0.0086138     0.0000000     0.0000845     0.0061141     0.0095593    -0.0034830     0.0000000     0.0052981
        35     0.0478904     0.0000000     0.0000000     0.0000021     0.0000038     0.0000066     0.0000000     0.0000000
        36     0.3427040     0.0000000     0.0000021     0.0014329     0.0014358     0.0024772     0.0000000     0.0012316
        37    -0.1072498     0.0000000    -0.0000038    -0.0014358    -0.0010016    -0.0025497     0.0000000     0.0008472
        38    -0.2953745     0.0000000    -0.0000066    -0.0024772    -0.0025497    -0.0039231     0.0000000    -0.0028353
        39     0.0000000     0.1773882     0.0000000     0.0000000     0.0000000     0.0000000     0.0004761     0.0000000
        40    -0.0000003     0.0000000     0.0000000     0.0012316     0.0008472    -0.0028353     0.0000000     0.0000000
        41    -0.0005465     0.0000000     0.0012316     0.0485545     0.0209979    -0.0702722     0.0000000     0.0000021
        42    -0.0002458     0.0000000    -0.0008472    -0.0209979     0.0098832     0.0332985     0.0000000     0.0000038
        43    -0.0011226     0.0000000     0.0028353     0.0702722     0.0332985    -0.0916048     0.0000000     0.0000066
        44     0.0000000     0.0000808     0.0000000     0.0000000     0.0000000     0.0000000     0.0198330     0.0000000
        45     0.0897269     0.0000000     0.0000003     0.0001852     0.0002462     0.0002913     0.0000000     0.0012733
        46    -0.0001551     0.0000000     0.0012733     0.0354559    -0.0068065    -0.0507947     0.0000000     0.0000003
        47     0.0027177     0.0000000     0.0000000     0.0000000     0.0000000     0.0000002     0.0000000     0.0000000
        48     0.0691681     0.0000000     0.0000000     0.0001750     0.0000934     0.0003853     0.0000000     0.0000029
        49     0.0245716     0.0000000     0.0000000    -0.0000934     0.0000057    -0.0002077     0.0000000     0.0000044
        50    -0.0931872     0.0000000    -0.0000002    -0.0003853    -0.0002077    -0.0008011     0.0000000    -0.0000094
        51     0.0000000     0.0189891     0.0000000     0.0000000     0.0000000     0.0000000     0.0000560     0.0000000
        52     0.0000000     0.0000000     0.0000000     0.0000029     0.0000044    -0.0000094     0.0000000     0.0000000
        53    -0.0000183     0.0000000     0.0000029     0.0017078     0.0014219    -0.0030596     0.0000000     0.0000000
        54     0.0000000     0.0000000    -0.0000044    -0.0014219    -0.0006483     0.0026221     0.0000000     0.0000000
        55    -0.0000464     0.0000000     0.0000094     0.0030596     0.0026221    -0.0050719     0.0000000     0.0000002
        56     0.0000000     0.0000022     0.0000000     0.0000000     0.0000000     0.0000000     0.0005703     0.0000000
        57     0.0297553     0.0000000     0.0000028     0.0007561    -0.0000108     0.0014368     0.0000000     0.0000023
        58    -0.0000509     0.0000000     0.0000023     0.0006638     0.0008035    -0.0009852     0.0000000     0.0000028
        59     0.0080958     0.0000000     0.0000000     0.0000075     0.0000045     0.0000174     0.0000000     0.0000003
        60    -0.0000008     0.0000000     0.0000003     0.0001882     0.0001046    -0.0003729     0.0000000     0.0000000


               17            18            19            20            21            22            23            24


         1     0.0015788    -0.0024033    -0.0028084     0.0000000     0.0000000     0.0015430     0.0011623    -0.0034298
         2     0.0560328    -0.0541543    -0.0632831     0.0000000     0.0015430     0.0552947     0.0264200    -0.0779639
         3     0.0541543    -0.0343750    -0.0673223     0.0000000    -0.0011623    -0.0264200     0.0090080     0.0409855
         4     0.0632831    -0.0673223    -0.0554349     0.0000000     0.0034298     0.0779639     0.0409855    -0.0980490
         5     0.0000000     0.0000000     0.0000000     0.0232358     0.0000000     0.0000000     0.0000000     0.0000000
         6     0.0354737    -0.0436000     0.0395333     0.0000000     0.0000006     0.0355971     0.0554423     0.0203414
         7     0.3531522    -0.2811093     0.2548891     0.0000000     0.0355971     0.3538590     0.3567340     0.1308833
         8     0.2811093    -0.0872026     0.2642457     0.0000000    -0.0554423    -0.3567340    -0.2638111    -0.1719167
         9    -0.2548891     0.2642457    -0.0353726     0.0000000    -0.0203414    -0.1308833    -0.1719167     0.1416878
        10     0.0000000     0.0000000     0.0000000     0.2042258     0.0000000     0.0000000     0.0000000     0.0000000
        11     0.0003967    -0.0010006    -0.0003439     0.0000000     0.0000008     0.0372572    -0.0116008    -0.0606777
        12     0.0254647    -0.0388100    -0.0133383     0.0000000     0.0372572     0.3632347    -0.0726486    -0.3799876
        13     0.0388100    -0.0539345    -0.0219056     0.0000000     0.0116008     0.0726486     0.1929053    -0.0995552
        14     0.0133383    -0.0219056     0.0022751     0.0000000     0.0606777     0.3799876    -0.0995552    -0.3087833
        15     0.0000000     0.0000000     0.0000000     0.0098037     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.2483624     0.0000000     0.0000000     0.0000000     0.0000000     0.0017252     0.0039266    -0.0007663
        17     1.0000000     0.0000000     0.0000000     0.0000000     0.0017252     0.0589826     0.0855443    -0.0166953
        18     0.0000000     1.0000000     0.0000000     0.0000000    -0.0039266    -0.0855443    -0.1122075     0.0266995
        19     0.0000000     0.0000000     1.0000000     0.0000000     0.0007663     0.0166953     0.0266995     0.0193859
        20     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        21     0.0017252    -0.0039266     0.0007663     0.0000000     1.0000000     0.2483624     0.0000000     0.0000000
        22     0.0589826    -0.0855443     0.0166953     0.0000000     0.2483624     1.0000000     0.0000000     0.0000000
        23     0.0855443    -0.1122075     0.0266995     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000
        24    -0.0166953     0.0266995     0.0193859     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000
        25     0.0000000     0.0000000     0.0000000     0.0245967     0.0000000     0.0000000     0.0000000     0.0000000
        26     0.0372572    -0.0116008    -0.0606777     0.0000000     0.0000000     0.0003813     0.0007707    -0.0006686
        27     0.3632347    -0.0726486    -0.3799876     0.0000000     0.0003813     0.0249015     0.0303751    -0.0263526
        28     0.0726486     0.1929053    -0.0995552     0.0000000    -0.0007707    -0.0303751    -0.0303370     0.0346216
        29     0.3799876    -0.0995552    -0.3087833     0.0000000     0.0006686     0.0263526     0.0346216    -0.0204674
        30     0.0000000     0.0000000     0.0000000     0.2119390     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.0017764    -0.0030323    -0.0010360     0.0000000     0.0052895     0.0955752    -0.0744662    -0.0986294
        32     0.4857219     0.4400129     0.1480381     0.0000000     0.0000851     0.0061428     0.0102127    -0.0003450
        33     0.0061141    -0.0095593     0.0034830     0.0000000     0.0611575     0.4862986    -0.3545429     0.3002505
        34     0.0956866     0.0328174    -0.1192771     0.0000000     0.0000110     0.0017362     0.0023758    -0.0020473
        35     0.0012316    -0.0008472     0.0028353     0.0000000     0.0000000     0.0010447     0.0016570     0.0019409
        36     0.0485545    -0.0209979     0.0702722     0.0000000     0.0010447     0.0441744     0.0437698     0.0512684
        37     0.0209979     0.0098832     0.0332985     0.0000000    -0.0016570    -0.0437698    -0.0295145    -0.0555055
        38    -0.0702722     0.0332985    -0.0916048     0.0000000    -0.0019409    -0.0512684    -0.0555055    -0.0471420
        39     0.0000000     0.0000000     0.0000000     0.0198330     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.0000021    -0.0000038    -0.0000066     0.0000000     0.0000000     0.0000024     0.0000010    -0.0000087
        41     0.0014329    -0.0014358    -0.0024772     0.0000000     0.0000024     0.0015485     0.0003697    -0.0030564
        42     0.0014358    -0.0010016    -0.0025497     0.0000000    -0.0000010    -0.0003697     0.0004248     0.0007502
        43     0.0024772    -0.0025497    -0.0039231     0.0000000     0.0000087     0.0030564     0.0007502    -0.0056868
        44     0.0000000     0.0000000     0.0000000     0.0004761     0.0000000     0.0000000     0.0000000     0.0000000
        45     0.0354559     0.0068065     0.0507947     0.0000000     0.0000637     0.0051223     0.0067543     0.0053672
        46     0.0001852    -0.0002462    -0.0002913     0.0000000     0.0000052     0.0011067    -0.0003120    -0.0020316
        47     0.0000029    -0.0000044     0.0000094     0.0000000     0.0000000     0.0001187     0.0000892     0.0003353
        48     0.0017078    -0.0014219     0.0030596     0.0000000     0.0001187     0.0129627     0.0056932     0.0213984
        49     0.0014219    -0.0006483     0.0026221     0.0000000    -0.0000892    -0.0056932     0.0020926    -0.0099866
        50    -0.0030596     0.0026221    -0.0050719     0.0000000    -0.0003353    -0.0213984    -0.0099866    -0.0327863
        51     0.0000000     0.0000000     0.0000000     0.0005703     0.0000000     0.0000000     0.0000000     0.0000000
        52     0.0000000     0.0000000    -0.0000002     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        53     0.0001750    -0.0000934    -0.0003853     0.0000000     0.0000000     0.0000244     0.0000163    -0.0000588
        54     0.0000934     0.0000057    -0.0002077     0.0000000     0.0000000    -0.0000163    -0.0000033     0.0000395
        55     0.0003853    -0.0002077    -0.0008011     0.0000000     0.0000000     0.0000588     0.0000395    -0.0001350
        56     0.0000000     0.0000000     0.0000000     0.0000560     0.0000000     0.0000000     0.0000000     0.0000000
        57     0.0006638    -0.0008035     0.0009852     0.0000000     0.0007386     0.0246343    -0.0038249     0.0366290
        58     0.0007561     0.0000108    -0.0014368     0.0000000     0.0000000     0.0000237     0.0000250    -0.0000482
        59     0.0001882    -0.0001046     0.0003729     0.0000000     0.0000033     0.0008299     0.0004257     0.0015094
        60     0.0000075    -0.0000045    -0.0000174     0.0000000     0.0000000     0.0000017     0.0000007    -0.0000043


               25            26            27            28            29            30            31            32


         1     0.0000000     0.0000006     0.0355971    -0.0554423    -0.0203414     0.0000000     0.0050782     0.0000801
         2     0.0000000     0.0355971     0.3538590    -0.3567340    -0.1308833     0.0000000     0.0928184     0.0059118
         3     0.0000000     0.0554423     0.3567340    -0.2638111    -0.1719167     0.0000000    -0.1157354     0.0075490
         4     0.0000000     0.0203414     0.1308833    -0.1719167     0.1416878     0.0000000     0.0334439     0.0063432
         5     0.0228969     0.0000000     0.0000000     0.0000000     0.0000000     0.2047629     0.0000000     0.0000000
         6     0.0000000     0.0000000     0.0015430    -0.0011623     0.0034298     0.0000000     0.0000801     0.0050782
         7     0.0000000     0.0015430     0.0552947    -0.0264200     0.0779639     0.0000000     0.0059118     0.0928184
         8     0.0000000     0.0011623     0.0264200     0.0090080     0.0409855     0.0000000    -0.0075490     0.1157354
         9     0.0000000    -0.0034298    -0.0779639     0.0409855    -0.0980490     0.0000000    -0.0063432    -0.0334439
        10     0.2047629     0.0000000     0.0000000     0.0000000     0.0000000     0.0228969     0.0000000     0.0000000
        11     0.0000000     0.0000000     0.0017252    -0.0039266     0.0007663     0.0000000     0.0610139     0.0000114
        12     0.0000000     0.0017252     0.0589826    -0.0855443     0.0166953     0.0000000     0.4857219     0.0017764
        13     0.0000000     0.0039266     0.0855443    -0.1122075     0.0266995     0.0000000    -0.4400129     0.0030323
        14     0.0000000    -0.0007663    -0.0166953     0.0266995     0.0193859     0.0000000    -0.1480381     0.0010360
        15     0.2119390     0.0000000     0.0000000     0.0000000     0.0000000     0.0245967     0.0000000     0.0000000
        16     0.0000000     0.0000008     0.0372572     0.0116008     0.0606777     0.0000000     0.0000114     0.0610139
        17     0.0000000     0.0372572     0.3632347     0.0726486     0.3799876     0.0000000     0.0017764     0.4857219
        18     0.0000000    -0.0116008    -0.0726486     0.1929053    -0.0995552     0.0000000    -0.0030323     0.4400129
        19     0.0000000    -0.0606777    -0.3799876    -0.0995552    -0.3087833     0.0000000    -0.0010360     0.1480381
        20     0.0245967     0.0000000     0.0000000     0.0000000     0.0000000     0.2119390     0.0000000     0.0000000
        21     0.0000000     0.0000000     0.0003813    -0.0007707     0.0006686     0.0000000     0.0052895     0.0000851
        22     0.0000000     0.0003813     0.0249015    -0.0303751     0.0263526     0.0000000     0.0955752     0.0061428
        23     0.0000000     0.0007707     0.0303751    -0.0303370     0.0346216     0.0000000    -0.0744662     0.0102127
        24     0.0000000    -0.0006686    -0.0263526     0.0346216    -0.0204674     0.0000000    -0.0986294    -0.0003450
        25     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0095693     0.0000000     0.0000000
        26     0.0000000     1.0000000     0.2483624     0.0000000     0.0000000     0.0000000     0.0000851     0.0052895
        27     0.0000000     0.2483624     1.0000000     0.0000000     0.0000000     0.0000000     0.0061428     0.0955752
        28     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000    -0.0102127     0.0744662
        29     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0003450     0.0986294
        30     0.0095693     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000
        31     0.0000000     0.0000851     0.0061428    -0.0102127     0.0003450     0.0000000     1.0000000     0.0001071
        32     0.0000000     0.0052895     0.0955752     0.0744662     0.0986294     0.0000000     0.0001071     1.0000000
        33     0.0000000     0.0000110     0.0017362    -0.0023758     0.0020473     0.0000000     0.0512130     0.0007086
        34     0.0000000     0.0611575     0.4862986     0.3545429    -0.3002505     0.0000000     0.0007086     0.0512130
        35     0.0000000     0.0000000     0.0000024    -0.0000010     0.0000087     0.0000000     0.0000002     0.0010958
        36     0.0000000     0.0000024     0.0015485    -0.0003697     0.0030564     0.0000000     0.0001468     0.0320456
        37     0.0000000     0.0000010     0.0003697     0.0004248     0.0007502     0.0000000    -0.0001924     0.0303541
        38     0.0000000    -0.0000087    -0.0030564     0.0007502    -0.0056868     0.0000000    -0.0002383    -0.0355827
        39     0.0178727     0.0000000     0.0000000     0.0000000     0.0000000     0.0005156     0.0000000     0.0000000
        40     0.0000000     0.0000000     0.0010447    -0.0016570    -0.0019409     0.0000000     0.0010958     0.0000002
        41     0.0000000     0.0010447     0.0441744    -0.0437698    -0.0512684     0.0000000     0.0320456     0.0001468
        42     0.0000000     0.0016570     0.0437698    -0.0295145    -0.0555055     0.0000000    -0.0303541     0.0001924
        43     0.0000000     0.0019409     0.0512684    -0.0555055    -0.0471420     0.0000000     0.0355827     0.0002383
        44     0.0005156     0.0000000     0.0000000     0.0000000     0.0000000     0.0178727     0.0000000     0.0000000
        45     0.0000000     0.0000052     0.0011067     0.0003120     0.0020316     0.0000000     0.0000142     0.0599641
        46     0.0000000     0.0000637     0.0051223    -0.0067543    -0.0053672     0.0000000     0.0599641     0.0000142
        47     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000055
        48     0.0000000     0.0000000     0.0000244    -0.0000163     0.0000588     0.0000000     0.0000354     0.0011348
        49     0.0000000     0.0000000     0.0000163    -0.0000033     0.0000395     0.0000000    -0.0000324     0.0013672
        50     0.0000000     0.0000000    -0.0000588     0.0000395    -0.0001350     0.0000000    -0.0000727    -0.0015997
        51     0.0047496     0.0000000     0.0000000     0.0000000     0.0000000     0.0000077     0.0000000     0.0000000
        52     0.0000000     0.0000000     0.0001187    -0.0000892    -0.0003353     0.0000000     0.0000055     0.0000000
        53     0.0000000     0.0001187     0.0129627    -0.0056932    -0.0213984     0.0000000     0.0011348     0.0000354
        54     0.0000000     0.0000892     0.0056932     0.0020926    -0.0099866     0.0000000    -0.0013672     0.0000324
        55     0.0000000     0.0003353     0.0213984    -0.0099866    -0.0327863     0.0000000     0.0015997     0.0000727
        56     0.0000077     0.0000000     0.0000000     0.0000000     0.0000000     0.0047496     0.0000000     0.0000000
        57     0.0000000     0.0000000     0.0000237    -0.0000250     0.0000482     0.0000000     0.0002925     0.0002302
        58     0.0000000     0.0007386     0.0246343     0.0038249    -0.0366290     0.0000000     0.0002302     0.0002925
        59     0.0000000     0.0000000     0.0000017    -0.0000007     0.0000043     0.0000000     0.0000016     0.0002436
        60     0.0000000     0.0000033     0.0008299    -0.0004257    -0.0015094     0.0000000     0.0002436     0.0000016


               33            34            35            36            37            38            39            40


         1     0.0000788     0.0050511     0.0000000     0.0000001    -0.0000001    -0.0000003     0.0000000     0.0000001
         2     0.0058536     0.0924629     0.0000001     0.0002513    -0.0001117    -0.0005465     0.0000000     0.0294360
         3    -0.0046097     0.1194586     0.0000001     0.0001117     0.0000305    -0.0002458     0.0000000    -0.0108643
         4     0.0086138    -0.0120825     0.0000003     0.0005465    -0.0002458    -0.0011226     0.0000000    -0.0478904
         5     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000808     0.0000000
         6     0.0050511     0.0000788     0.0000001     0.0294360    -0.0108643    -0.0478904     0.0000000     0.0000000
         7     0.0924629     0.0058536     0.0294360     0.3168879    -0.0777450    -0.3427040     0.0000000     0.0000001
         8    -0.1194586     0.0046097     0.0108643     0.0777450     0.1530577    -0.1072498     0.0000000    -0.0000001
         9     0.0120825    -0.0086138     0.0478904     0.3427040    -0.1072498    -0.2953745     0.0000000    -0.0000003
        10     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.1773882     0.0000000
        11     0.0052981     0.0000845     0.0000000     0.0000021    -0.0000038    -0.0000066     0.0000000     0.0000000
        12     0.0956866     0.0061141     0.0000021     0.0014329    -0.0014358    -0.0024772     0.0000000     0.0012316
        13    -0.0328174     0.0095593     0.0000038     0.0014358    -0.0010016    -0.0025497     0.0000000     0.0008472
        14     0.1192771    -0.0034830     0.0000066     0.0024772    -0.0025497    -0.0039231     0.0000000    -0.0028353
        15     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0004761     0.0000000
        16     0.0000845     0.0052981     0.0000000     0.0012316     0.0008472    -0.0028353     0.0000000     0.0000000
        17     0.0061141     0.0956866     0.0012316     0.0485545     0.0209979    -0.0702722     0.0000000     0.0000021
        18    -0.0095593     0.0328174    -0.0008472    -0.0209979     0.0098832     0.0332985     0.0000000    -0.0000038
        19     0.0034830    -0.1192771     0.0028353     0.0702722     0.0332985    -0.0916048     0.0000000    -0.0000066
        20     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0198330     0.0000000
        21     0.0611575     0.0000110     0.0000000     0.0010447    -0.0016570    -0.0019409     0.0000000     0.0000000
        22     0.4862986     0.0017362     0.0010447     0.0441744    -0.0437698    -0.0512684     0.0000000     0.0000024
        23    -0.3545429     0.0023758     0.0016570     0.0437698    -0.0295145    -0.0555055     0.0000000     0.0000010
        24     0.3002505    -0.0020473     0.0019409     0.0512684    -0.0555055    -0.0471420     0.0000000    -0.0000087
        25     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0178727     0.0000000
        26     0.0000110     0.0611575     0.0000000     0.0000024     0.0000010    -0.0000087     0.0000000     0.0000000
        27     0.0017362     0.4862986     0.0000024     0.0015485     0.0003697    -0.0030564     0.0000000     0.0010447
        28    -0.0023758     0.3545429    -0.0000010    -0.0003697     0.0004248     0.0007502     0.0000000    -0.0016570
        29     0.0020473    -0.3002505     0.0000087     0.0030564     0.0007502    -0.0056868     0.0000000    -0.0019409
        30     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0005156     0.0000000
        31     0.0512130     0.0007086     0.0000002     0.0001468    -0.0001924    -0.0002383     0.0000000     0.0010958
        32     0.0007086     0.0512130     0.0010958     0.0320456     0.0303541    -0.0355827     0.0000000     0.0000002
        33     1.0000000     0.0001047     0.0008547     0.0271405    -0.0360334    -0.0178790     0.0000000     0.0000002
        34     0.0001047     1.0000000     0.0000002     0.0001681     0.0000963    -0.0003345     0.0000000     0.0008547
        35     0.0008547     0.0000002     1.0000000     0.2483624     0.0000000     0.0000000     0.0000000     0.0000000
        36     0.0271405     0.0001681     0.2483624     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        37    -0.0360334     0.0000963     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000
        38    -0.0178790    -0.0003345     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000
        39     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000
        40     0.0000002     0.0008547     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000
        41     0.0001681     0.0271405     0.0000000     0.0000006    -0.0000003    -0.0000016     0.0000000     0.2483624
        42    -0.0000963     0.0360334     0.0000000     0.0000003     0.0000000    -0.0000010     0.0000000     0.0000000
        43     0.0003345     0.0178790     0.0000000     0.0000016    -0.0000010    -0.0000044     0.0000000     0.0000000
        44     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000002     0.0000000
        45     0.0024483     0.0002351     0.0606787     0.4843710     0.4533620     0.0960650     0.0000000     0.0000000
        46     0.0002351     0.0024483     0.0000000     0.0000002    -0.0000002    -0.0000006     0.0000000     0.0606787
        47     0.0008751     0.0000000     0.0000022     0.0427836    -0.0461955     0.0538484     0.0000000     0.0000000
        48     0.0275704     0.0000017     0.0427836     0.3928849    -0.2654227     0.3093938     0.0000000     0.0000000
        49    -0.0238335     0.0000016     0.0461955     0.2654227    -0.0036479     0.2784993     0.0000000     0.0000000
        50    -0.0331200    -0.0000042    -0.0538484    -0.3093938     0.2784993    -0.0893658     0.0000000     0.0000000
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.2352709     0.0000000
        52     0.0000000     0.0008751     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000022
        53     0.0000017     0.0275704     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0427836
        54    -0.0000016     0.0238335     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000    -0.0461955
        55     0.0000042     0.0331200     0.0000000     0.0000000     0.0000000    -0.0000001     0.0000000     0.0538484
        56     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        57     0.0875071     0.0000013     0.0055465     0.0988934    -0.1163175     0.0517532     0.0000000     0.0000000
        58     0.0000013     0.0875071     0.0000000     0.0000001     0.0000000    -0.0000002     0.0000000     0.0055465
        59     0.0026008     0.0000002     0.0057787     0.1018594    -0.0327671     0.1264482     0.0000000     0.0000000
        60     0.0000002     0.0026008     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0057787


               41            42            43            44            45            46            47            48


         1     0.0294360     0.0108643     0.0478904     0.0000000     0.0000001     0.0048334     0.0000000     0.0000000
         2     0.3168879     0.0777450     0.3427040     0.0000000     0.0000783     0.0895894     0.0000000     0.0000069
         3    -0.0777450     0.1530577    -0.1072498     0.0000000     0.0000671    -0.0747818     0.0000000     0.0000000
         4    -0.3427040    -0.1072498    -0.2953745     0.0000000     0.0001551    -0.0897269     0.0000000     0.0000183
         5     0.0000000     0.0000000     0.0000000     0.1773882     0.0000000     0.0000000     0.0000000     0.0000000
         6     0.0000001     0.0000001     0.0000003     0.0000000     0.0048334     0.0000001     0.0000000     0.0011499
         7     0.0002513     0.0001117     0.0005465     0.0000000     0.0895894     0.0000783     0.0011499     0.0466757
         8    -0.0001117     0.0000305    -0.0002458     0.0000000     0.0747818    -0.0000671    -0.0005953    -0.0151509
         9    -0.0005465    -0.0002458    -0.0011226     0.0000000     0.0897269    -0.0001551     0.0027177     0.0691681
        10     0.0000000     0.0000000     0.0000000     0.0000808     0.0000000     0.0000000     0.0000000     0.0000000
        11     0.0012316    -0.0008472     0.0028353     0.0000000     0.0000003     0.0012733     0.0000000     0.0000000
        12     0.0485545    -0.0209979     0.0702722     0.0000000     0.0001852     0.0354559     0.0000000     0.0001750
        13     0.0209979     0.0098832     0.0332985     0.0000000     0.0002462    -0.0068065     0.0000000     0.0000934
        14    -0.0702722     0.0332985    -0.0916048     0.0000000     0.0002913    -0.0507947     0.0000002     0.0003853
        15     0.0000000     0.0000000     0.0000000     0.0198330     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.0000021     0.0000038     0.0000066     0.0000000     0.0012733     0.0000003     0.0000000     0.0000029
        17     0.0014329     0.0014358     0.0024772     0.0000000     0.0354559     0.0001852     0.0000029     0.0017078
        18    -0.0014358    -0.0010016    -0.0025497     0.0000000     0.0068065    -0.0002462    -0.0000044    -0.0014219
        19    -0.0024772    -0.0025497    -0.0039231     0.0000000     0.0507947    -0.0002913     0.0000094     0.0030596
        20     0.0000000     0.0000000     0.0000000     0.0004761     0.0000000     0.0000000     0.0000000     0.0000000
        21     0.0000024    -0.0000010     0.0000087     0.0000000     0.0000637     0.0000052     0.0000000     0.0001187
        22     0.0015485    -0.0003697     0.0030564     0.0000000     0.0051223     0.0011067     0.0001187     0.0129627
        23     0.0003697     0.0004248     0.0007502     0.0000000     0.0067543    -0.0003120     0.0000892     0.0056932
        24    -0.0030564     0.0007502    -0.0056868     0.0000000     0.0053672    -0.0020316     0.0003353     0.0213984
        25     0.0000000     0.0000000     0.0000000     0.0005156     0.0000000     0.0000000     0.0000000     0.0000000
        26     0.0010447     0.0016570     0.0019409     0.0000000     0.0000052     0.0000637     0.0000000     0.0000000
        27     0.0441744     0.0437698     0.0512684     0.0000000     0.0011067     0.0051223     0.0000000     0.0000244
        28    -0.0437698    -0.0295145    -0.0555055     0.0000000     0.0003120    -0.0067543     0.0000000    -0.0000163
        29    -0.0512684    -0.0555055    -0.0471420     0.0000000     0.0020316    -0.0053672     0.0000000     0.0000588
        30     0.0000000     0.0000000     0.0000000     0.0178727     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.0320456    -0.0303541     0.0355827     0.0000000     0.0000142     0.0599641     0.0000000     0.0000354
        32     0.0001468     0.0001924     0.0002383     0.0000000     0.0599641     0.0000142     0.0000055     0.0011348
        33     0.0001681    -0.0000963     0.0003345     0.0000000     0.0024483     0.0002351     0.0008751     0.0275704
        34     0.0271405     0.0360334     0.0178790     0.0000000     0.0002351     0.0024483     0.0000000     0.0000017
        35     0.0000000     0.0000000     0.0000000     0.0000000     0.0606787     0.0000000     0.0000022     0.0427836
        36     0.0000006     0.0000003     0.0000016     0.0000000     0.4843710     0.0000002     0.0427836     0.3928849
        37    -0.0000003     0.0000000    -0.0000010     0.0000000     0.4533620    -0.0000002    -0.0461955    -0.2654227
        38    -0.0000016    -0.0000010    -0.0000044     0.0000000     0.0960650    -0.0000006     0.0538484     0.3093938
        39     0.0000000     0.0000000     0.0000000     0.0000002     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.2483624     0.0000000     0.0000000     0.0000000     0.0000000     0.0606787     0.0000000     0.0000000
        41     1.0000000     0.0000000     0.0000000     0.0000000     0.0000002     0.4843710     0.0000000     0.0000000
        42     0.0000000     1.0000000     0.0000000     0.0000000     0.0000002    -0.4533620     0.0000000     0.0000000
        43     0.0000000     0.0000000     1.0000000     0.0000000     0.0000006    -0.0960650     0.0000000     0.0000000
        44     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        45     0.0000002     0.0000002     0.0000006     0.0000000     1.0000000     0.0000001     0.0061221     0.1061944
        46     0.4843710    -0.4533620    -0.0960650     0.0000000     0.0000001     1.0000000     0.0000000     0.0000000
        47     0.0000000     0.0000000     0.0000000     0.0000000     0.0061221     0.0000000     1.0000000     0.2483624
        48     0.0000000     0.0000000     0.0000000     0.0000000     0.1061944     0.0000000     0.2483624     1.0000000
        49     0.0000000     0.0000000     0.0000000     0.0000000     0.1255000     0.0000000     0.0000000     0.0000000
        50     0.0000000     0.0000000    -0.0000001     0.0000000    -0.0509240     0.0000000     0.0000000     0.0000000
        51     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        52     0.0427836     0.0461955    -0.0538484     0.0000000     0.0000000     0.0061221     0.0000000     0.0000000
        53     0.3928849     0.2654227    -0.3093938     0.0000000     0.0000000     0.1061944     0.0000000     0.0000000
        54    -0.2654227    -0.0036479     0.2784993     0.0000000     0.0000000    -0.1255000     0.0000000     0.0000000
        55     0.3093938     0.2784993    -0.0893658     0.0000000     0.0000000     0.0509240     0.0000000     0.0000000
        56     0.0000000     0.0000000     0.0000000     0.2352709     0.0000000     0.0000000     0.0000000     0.0000000
        57     0.0000001     0.0000000     0.0000002     0.0000000     0.0145560     0.0000001     0.0614287     0.4873854
        58     0.0988934     0.1163175    -0.0517532     0.0000000     0.0000001     0.0145560     0.0000000     0.0000000
        59     0.0000000     0.0000000     0.0000000     0.0000000     0.0552049     0.0000000     0.0613806     0.4871930
        60     0.1018594     0.0327671    -0.1264482     0.0000000     0.0000000     0.0552049     0.0000000     0.0000000


               49            50            51            52            53            54            55            56


         1     0.0000000     0.0000000     0.0000000     0.0000000     0.0011499    -0.0005953     0.0027177     0.0000000
         2     0.0000000    -0.0000183     0.0000000     0.0011499     0.0466757    -0.0151509     0.0691681     0.0000000
         3     0.0000022     0.0000000     0.0000000     0.0005953     0.0151509     0.0136069     0.0245716     0.0000000
         4     0.0000000    -0.0000464     0.0000000    -0.0027177    -0.0691681     0.0245716    -0.0931872     0.0000000
         5     0.0000000     0.0000000     0.0000022     0.0000000     0.0000000     0.0000000     0.0000000     0.0189891
         6     0.0005953    -0.0027177     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
         7     0.0151509    -0.0691681     0.0000000     0.0000000     0.0000069     0.0000000     0.0000183     0.0000000
         8     0.0136069     0.0245716     0.0000000     0.0000000     0.0000000     0.0000022     0.0000000     0.0000000
         9     0.0245716    -0.0931872     0.0000000     0.0000000    -0.0000183     0.0000000    -0.0000464     0.0000000
        10     0.0000000     0.0000000     0.0189891     0.0000000     0.0000000     0.0000000     0.0000000     0.0000022
        11     0.0000000    -0.0000002     0.0000000     0.0000000     0.0000029    -0.0000044     0.0000094     0.0000000
        12    -0.0000934    -0.0003853     0.0000000     0.0000029     0.0017078    -0.0014219     0.0030596     0.0000000
        13     0.0000057    -0.0002077     0.0000000     0.0000044     0.0014219    -0.0006483     0.0026221     0.0000000
        14    -0.0002077    -0.0008011     0.0000000    -0.0000094    -0.0030596     0.0026221    -0.0050719     0.0000000
        15     0.0000000     0.0000000     0.0000560     0.0000000     0.0000000     0.0000000     0.0000000     0.0005703
        16     0.0000044    -0.0000094     0.0000000     0.0000000     0.0000000     0.0000000     0.0000002     0.0000000
        17     0.0014219    -0.0030596     0.0000000     0.0000000     0.0001750     0.0000934     0.0003853     0.0000000
        18    -0.0006483     0.0026221     0.0000000     0.0000000    -0.0000934     0.0000057    -0.0002077     0.0000000
        19     0.0026221    -0.0050719     0.0000000    -0.0000002    -0.0003853    -0.0002077    -0.0008011     0.0000000
        20     0.0000000     0.0000000     0.0005703     0.0000000     0.0000000     0.0000000     0.0000000     0.0000560
        21    -0.0000892    -0.0003353     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        22    -0.0056932    -0.0213984     0.0000000     0.0000000     0.0000244    -0.0000163     0.0000588     0.0000000
        23     0.0020926    -0.0099866     0.0000000     0.0000000     0.0000163    -0.0000033     0.0000395     0.0000000
        24    -0.0099866    -0.0327863     0.0000000     0.0000000    -0.0000588     0.0000395    -0.0001350     0.0000000
        25     0.0000000     0.0000000     0.0047496     0.0000000     0.0000000     0.0000000     0.0000000     0.0000077
        26     0.0000000     0.0000000     0.0000000     0.0000000     0.0001187     0.0000892     0.0003353     0.0000000
        27     0.0000163    -0.0000588     0.0000000     0.0001187     0.0129627     0.0056932     0.0213984     0.0000000
        28    -0.0000033     0.0000395     0.0000000    -0.0000892    -0.0056932     0.0020926    -0.0099866     0.0000000
        29     0.0000395    -0.0001350     0.0000000    -0.0003353    -0.0213984    -0.0099866    -0.0327863     0.0000000
        30     0.0000000     0.0000000     0.0000077     0.0000000     0.0000000     0.0000000     0.0000000     0.0047496
        31    -0.0000324    -0.0000727     0.0000000     0.0000055     0.0011348    -0.0013672     0.0015997     0.0000000
        32     0.0013672    -0.0015997     0.0000000     0.0000000     0.0000354     0.0000324     0.0000727     0.0000000
        33    -0.0238335    -0.0331200     0.0000000     0.0000000     0.0000017    -0.0000016     0.0000042     0.0000000
        34     0.0000016    -0.0000042     0.0000000     0.0008751     0.0275704     0.0238335     0.0331200     0.0000000
        35     0.0461955    -0.0538484     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        36     0.2654227    -0.3093938     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        37    -0.0036479     0.2784993     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        38     0.2784993    -0.0893658     0.0000000     0.0000000     0.0000000     0.0000000    -0.0000001     0.0000000
        39     0.0000000     0.0000000     0.2352709     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.0000000     0.0000000     0.0000000     0.0000022     0.0427836    -0.0461955     0.0538484     0.0000000
        41     0.0000000     0.0000000     0.0000000     0.0427836     0.3928849    -0.2654227     0.3093938     0.0000000
        42     0.0000000     0.0000000     0.0000000     0.0461955     0.2654227    -0.0036479     0.2784993     0.0000000
        43     0.0000000    -0.0000001     0.0000000    -0.0538484    -0.3093938     0.2784993    -0.0893658     0.0000000
        44     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.2352709
        45     0.1255000    -0.0509240     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        46     0.0000000     0.0000000     0.0000000     0.0061221     0.1061944    -0.1255000     0.0509240     0.0000000
        47     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        48     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        49     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        50     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        51     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        52     0.0000000     0.0000000     0.0000000     1.0000000     0.2483624     0.0000000     0.0000000     0.0000000
        53     0.0000000     0.0000000     0.0000000     0.2483624     1.0000000     0.0000000     0.0000000     0.0000000
        54     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000     0.0000000
        55     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000     0.0000000
        56     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     1.0000000
        57    -0.4609948    -0.0628105     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        58     0.0000000     0.0000000     0.0000000     0.0614287     0.4873854     0.4609948     0.0628105     0.0000000
        59     0.1447541     0.4420403     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000     0.0000000
        60     0.0000000     0.0000000     0.0000000     0.0613806     0.4871930    -0.1447541    -0.4420403     0.0000000


               57            58            59            60


         1     0.0000000     0.0007207     0.0000000     0.0000572
         2     0.0000227     0.0242370     0.0000003     0.0047932
         3    -0.0000107     0.0207680     0.0000000     0.0004656
         4     0.0000509    -0.0297553     0.0000008    -0.0080958
         5     0.0000000     0.0000000     0.0000000     0.0000000
         6     0.0007207     0.0000000     0.0000572     0.0000000
         7     0.0242370     0.0000227     0.0047932     0.0000003
         8    -0.0207680     0.0000107    -0.0004656     0.0000000
         9     0.0297553    -0.0000509     0.0080958    -0.0000008
        10     0.0000000     0.0000000     0.0000000     0.0000000
        11     0.0000028     0.0000023     0.0000000     0.0000003
        12     0.0007561     0.0006638     0.0000075     0.0001882
        13    -0.0000108     0.0008035     0.0000045     0.0001046
        14     0.0014368    -0.0009852     0.0000174    -0.0003729
        15     0.0000000     0.0000000     0.0000000     0.0000000
        16     0.0000023     0.0000028     0.0000003     0.0000000
        17     0.0006638     0.0007561     0.0001882     0.0000075
        18    -0.0008035     0.0000108    -0.0001046    -0.0000045
        19     0.0009852    -0.0014368     0.0003729    -0.0000174
        20     0.0000000     0.0000000     0.0000000     0.0000000
        21     0.0007386     0.0000000     0.0000033     0.0000000
        22     0.0246343     0.0000237     0.0008299     0.0000017
        23    -0.0038249     0.0000250     0.0004257     0.0000007
        24     0.0366290    -0.0000482     0.0015094    -0.0000043
        25     0.0000000     0.0000000     0.0000000     0.0000000
        26     0.0000000     0.0007386     0.0000000     0.0000033
        27     0.0000237     0.0246343     0.0000017     0.0008299
        28    -0.0000250     0.0038249    -0.0000007    -0.0004257
        29     0.0000482    -0.0366290     0.0000043    -0.0015094
        30     0.0000000     0.0000000     0.0000000     0.0000000
        31     0.0002925     0.0002302     0.0000016     0.0002436
        32     0.0002302     0.0002925     0.0002436     0.0000016
        33     0.0875071     0.0000013     0.0026008     0.0000002
        34     0.0000013     0.0875071     0.0000002     0.0026008
        35     0.0055465     0.0000000     0.0057787     0.0000000
        36     0.0988934     0.0000001     0.1018594     0.0000000
        37    -0.1163175     0.0000000    -0.0327671     0.0000000
        38     0.0517532    -0.0000002     0.1264482     0.0000000
        39     0.0000000     0.0000000     0.0000000     0.0000000
        40     0.0000000     0.0055465     0.0000000     0.0057787
        41     0.0000001     0.0988934     0.0000000     0.1018594
        42     0.0000000     0.1163175     0.0000000     0.0327671
        43     0.0000002    -0.0517532     0.0000000    -0.1264482
        44     0.0000000     0.0000000     0.0000000     0.0000000
        45     0.0145560     0.0000001     0.0552049     0.0000000
        46     0.0000001     0.0145560     0.0000000     0.0552049
        47     0.0614287     0.0000000     0.0613806     0.0000000
        48     0.4873854     0.0000000     0.4871930     0.0000000
        49    -0.4609948     0.0000000     0.1447541     0.0000000
        50    -0.0628105     0.0000000     0.4420403     0.0000000
        51     0.0000000     0.0000000     0.0000000     0.0000000
        52     0.0000000     0.0614287     0.0000000     0.0613806
        53     0.0000000     0.4873854     0.0000000     0.4871930
        54     0.0000000     0.4609948     0.0000000    -0.1447541
        55     0.0000000     0.0628105     0.0000000    -0.4420403
        56     0.0000000     0.0000000     0.0000000     0.0000000
        57     1.0000000     0.0000000     0.1498691     0.0000000
        58     0.0000000     1.0000000     0.0000000     0.1498691
        59     0.1498691     0.0000000     1.0000000     0.0000000
        60     0.0000000     0.1498691     0.0000000     1.0000000

                                        *****************
                                        vector generation
                                        *****************


 point group used for symmetry adaption: C2h

 ==============================
 irrep  no. of symmetry adapted
        basis functions
 ==============================
   1          25
   2           5
   3          25
   4           5
 ==============================


 initial guess orbitals generated by superposition of atomic densities

 ***** total atomic energy     -376.44825159 *** 

 --------------------------------------------------------------------------------------------------------



 ********************
 2-electron integrals
 ********************


 integrals are not in a supermatrix form : p-k option is off
 number of integrals per block = 340

 commence 2-electron integral evaluation at     0.02 seconds

 end of 2-electron integral evaluation at     0.25 seconds

 --------------------------------------------------------------------------------------------------------


 --------------------------------------------------------------------------------------------------------

                                        *******************
                                        uhf scf calculation
                                        *******************

 ----- nuclear energy ----- =     445.590728211204

 use symmetry adapted jacobi diagonalisation

               convergence data
               ================

 maximum number of iterations =     50
 method of convergence        =      5
 convergence criterion        =1.0e- 5
 punch out option             =      0
 ==========================================================================================================
   cycle           total      electronic         e conv.         tester     virtual damping            diis
                  energy          energy                                      shift
                                                                          -a-   -b- 
 ==========================================================================================================
   1   1   -381.99620155   -827.58692977   -827.58692977     0.04542035  1.00  1.00   1.000     0.000000000
   2   2   -382.06343021   -827.65415842     -0.06722865     0.02230194  1.00  1.00   1.000     0.000000000
   3   3   -382.07534820   -827.66607641     -0.01191799     0.01460215  1.00  1.00   0.000     0.000000000
   4   0   -382.07892068   -827.66964889     -0.00357248     0.00731931  0.00  0.00   0.000     0.000480370
   5   1   -382.08087738   -827.67160559     -0.00195670     0.00313487  0.00  0.00   0.000     0.000120939
   6   2   -382.08109181   -827.67182002     -0.00021443     0.00282283  0.00  0.00   0.000     0.000044318
   7   3   -382.08120703   -827.67193524     -0.00011523     0.00184969  0.00  0.00   0.000     0.000010009
   8   4   -382.08125443   -827.67198264     -0.00004739     0.00050567  0.00  0.00   0.000     0.000001038
   9   5   -382.08126153   -827.67198974     -0.00000710     0.00018874  0.00  0.00   0.000     0.000000261
  10   6   -382.08126226   -827.67199047     -0.00000073     0.00007219  0.00  0.00   0.000     0.000000019
  11   7   -382.08126239   -827.67199060     -0.00000013     0.00002578  0.00  0.00   0.000     0.000000004
  12   8   -382.08126240   -827.67199061     -0.00000001     0.00001194  0.00  0.00   0.000     0.000000001
  13   9   -382.08126240   -827.67199061      0.00000000     0.00000775  0.00  0.00   0.000     0.000000000

          ---------------
          energy converged
          ---------------

          --------------
          final energies   after  13 cycles at      45.79 seconds
          --------------


          number of quadrature points   110024
          integrated electron count         68.9997024360     relative error  -0.43E-05
          XC energy                        -46.3901052227
          electronic energy               -827.6719906128
          nuclear energy                   445.5907282112
          total energy                    -382.0812624016
          convergence on density             0.0000045228


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 CONVERGENCE / TESTER ANALYSIS                                From DIIS
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Iter.   Alpha    (somo/vmo)         Beta (somo/vmo)        Alpha    (somo/vmo)     Beta (somo/vmo)

     1  0.0454203 (  31  51)    0.0444794 (  31  51)  (*)  0.0454203 (  31  51)  0.0444794 (  31  51)
     2  0.0223019 (  27  48)    0.0211277 (  26  48)  (*)  0.0223019 (  27  48)  0.0211277 (  26  48)
     3  0.0131325 (  16  45)    0.0146022 (  16  45)  (*)  0.0131325 (  16  45)  0.0146022 (  16  45)
     4  0.0067443 (  16  45)    0.0081826 (  16  45)       0.0058468 (  16  45)  0.0073193 (  34  36) (*)
     5  0.0022255 (  33  36)    0.0011369 (  28  39)       0.0031349 (  33  36)  0.0017350 (  20  44) (*)
     6  0.0011527 (  33  36)    0.0030248 (  34  36)       0.0010105 (  28  39)  0.0028228 (  34  36) (*)
     7  0.0017227 (  35  38)    0.0010283 (  32  38)       0.0018497 (  35  38)  0.0004126 (  26  58) (*)
     8  0.0005656 (  33  39)    0.0008224 (  34  39)       0.0003394 (  28  36)  0.0005057 (  34  39) (*)
     9  0.0001232 (  33  39)    0.0000890 (  33  40)       0.0001887 (  28  36)  0.0001655 (  33  40) (*)
    10  0.0000599 (  33  39)    0.0000496 (  34  39)       0.0000722 (  34  40)  0.0000621 (  32  35) (*)
    11  0.0000063 (  29  55)    0.0000133 (  32  35)       0.0000109 (  29  55)  0.0000258 (  32  35) (*)
    12  0.0000093 (  34  40)    0.0000060 (  33  35)       0.0000119 (  34  40)  0.0000051 (  34  39) (*)
    13  0.0000035 (  34  40)    0.0000081 (  33  35)       0.0000016 (  33  36)  0.0000078 (  33  35) (*)
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



          -----------------
          spin sz   = 0.500
          s-squared = 0.778
          -----------------


 --------------------------------------------------------------------------------------------------------

                                                  ----- alpha set -----

 ========================================================
  m.o. irrep        orbital         orbital       orbital
              energy (a.u.)   energy (e.v.)     occupancy
 ========================================================
    1     3    -10.25368774       -279.0198        1.0000
    2     1    -10.25363922       -279.0184        1.0000
    3     3    -10.21919565       -278.0812        1.0000
    4     1    -10.21915844       -278.0802        1.0000
    5     3    -10.21786501       -278.0450        1.0000
    6     1    -10.21780820       -278.0434        1.0000
    7     3    -10.21779091       -278.0430        1.0000
    8     1    -10.21774022       -278.0416        1.0000
    9     3    -10.21520601       -277.9726        1.0000
   10     1    -10.21520584       -277.9726        1.0000
   11     1     -1.02023421        -27.7623        1.0000
   12     3     -0.96139361        -26.1611        1.0000
   13     1     -0.92138150        -25.0723        1.0000
   14     3     -0.89860964        -24.4527        1.0000
   15     3     -0.87677662        -23.8585        1.0000
   16     1     -0.78659899        -21.4047        1.0000
   17     1     -0.75944507        -20.6658        1.0000
   18     3     -0.72265109        -19.6645        1.0000
   19     1     -0.70362322        -19.1467        1.0000
   20     1     -0.65036087        -17.6974        1.0000
   21     3     -0.63463835        -17.2696        1.0000
   22     3     -0.60377672        -16.4298        1.0000
   23     3     -0.59565066        -16.2086        1.0000
   24     1     -0.58758077        -15.9890        1.0000
   25     3     -0.56800050        -15.4562        1.0000
   26     3     -0.55233940        -15.0301        1.0000
   27     1     -0.53717444        -14.6174        1.0000
   28     2     -0.53319997        -14.5093        1.0000
   29     3     -0.50104559        -13.6343        1.0000
   30     1     -0.49300115        -13.4154        1.0000
   31     1     -0.48221751        -13.1219        1.0000
   32     4     -0.47326768        -12.8784        1.0000
   33     2     -0.41777964        -11.3685        1.0000
   34     4     -0.39389740        -10.7186        1.0000
   35     4     -0.36972333        -10.0608        1.0000
   36     2     -0.17744635         -4.8286        0.0000
   37     2     -0.11125104         -3.0273        0.0000
   38     4     -0.09452239         -2.5721        0.0000
   39     2     -0.02994107         -0.8147        0.0000
   40     4      0.05981958          1.6278        0.0000
   41     1      0.13894375          3.7809        0.0000
   42     3      0.14877946          4.0485        0.0000
   43     3      0.17857393          4.8593        0.0000
   44     1      0.19598800          5.3332        0.0000
   45     1      0.21481093          5.8454        0.0000
   46     3      0.22111481          6.0169        0.0000
   47     1      0.23947864          6.5166        0.0000
   48     3      0.24055474          6.5459        0.0000
   49     3      0.26206915          7.1313        0.0000
   50     1      0.28516918          7.7599        0.0000
   51     1      0.32038430          8.7182        0.0000
   52     3      0.34321289          9.3394        0.0000
   53     1      0.37910193         10.3160        0.0000
   54     3      0.39825108         10.8371        0.0000
   55     3      0.42569572         11.5839        0.0000
   56     1      0.43680705         11.8862        0.0000
   57     1      0.47786497         13.0035        0.0000
   58     3      0.50473546         13.7347        0.0000
   59     1      0.56694722         15.4276        0.0000
   60     3      0.58098429         15.8095        0.0000
 ========================================================

 ===================================================================================================================
                               SYMMETRY ASSIGNMENT
 ===================================================================================================================
 E level    m.o.     symmetry           orbital         orbital  degeneracy  occupancy       decomposition
                                  energy (a.u.)    energy (e.v)
 ===================================================================================================================
    1      1 -  1      1 bu        -10.25368774       -279.0198       1           1.000000      1 bu  
    2      2 -  2      1 ag        -10.25363922       -279.0184       1           1.000000      1 ag  
    3      3 -  3      2 bu        -10.21919565       -278.0812       1           1.000000      2 bu  
    4      4 -  4      2 ag        -10.21915844       -278.0802       1           1.000000      2 ag  
    5      5 -  5      3 bu        -10.21786501       -278.0450       1           1.000000      3 bu  
    6      6 -  6      3 ag        -10.21780820       -278.0434       1           1.000000      3 ag  
    7      7 -  7      4 bu        -10.21779091       -278.0430       1           1.000000      4 bu  
    8      8 -  8      4 ag        -10.21774022       -278.0416       1           1.000000      4 ag  
    9      9 - 10      1 e?        -10.21520601       -277.9726       2           2.000000      5 ag    5 bu  
   10     11 - 11      6 ag         -1.02023421        -27.7623       1           1.000000      6 ag  
   11     12 - 12      6 bu         -0.96139361        -26.1611       1           1.000000      6 bu  
   12     13 - 13      7 ag         -0.92138150        -25.0723       1           1.000000      7 ag  
   13     14 - 14      7 bu         -0.89860964        -24.4527       1           1.000000      7 bu  
   14     15 - 15      8 bu         -0.87677662        -23.8585       1           1.000000      8 bu  
   15     16 - 16      8 ag         -0.78659899        -21.4047       1           1.000000      8 ag  
   16     17 - 17      9 ag         -0.75944507        -20.6658       1           1.000000      9 ag  
   17     18 - 18      9 bu         -0.72265109        -19.6645       1           1.000000      9 bu  
   18     19 - 19     10 ag         -0.70362322        -19.1467       1           1.000000     10 ag  
   19     20 - 20     11 ag         -0.65036087        -17.6974       1           1.000000     11 ag  
   20     21 - 21     10 bu         -0.63463835        -17.2696       1           1.000000     10 bu  
   21     22 - 22     11 bu         -0.60377672        -16.4298       1           1.000000     11 bu  
   22     23 - 23     12 bu         -0.59565066        -16.2086       1           1.000000     12 bu  
   23     24 - 24     12 ag         -0.58758077        -15.9890       1           1.000000     12 ag  
   24     25 - 25     13 bu         -0.56800050        -15.4562       1           1.000000     13 bu  
   25     26 - 26     14 bu         -0.55233940        -15.0301       1           1.000000     14 bu  
   26     27 - 27     13 ag         -0.53717444        -14.6174       1           1.000000     13 ag  
   27     28 - 28      1 au         -0.53319997        -14.5093       1           1.000000      1 au  
   28     29 - 29     15 bu         -0.50104559        -13.6343       1           1.000000     15 bu  
   29     30 - 30     14 ag         -0.49300115        -13.4154       1           1.000000     14 ag  
   30     31 - 31     15 ag         -0.48221751        -13.1219       1           1.000000     15 ag  
   31     32 - 32      1 bg         -0.47326768        -12.8784       1           1.000000      1 bg  
   32     33 - 33      2 au         -0.41777964        -11.3685       1           1.000000      2 au  
   33     34 - 34      2 bg         -0.39389740        -10.7186       1           1.000000      2 bg  
   34     35 - 35      3 bg         -0.36972333        -10.0608       1           1.000000      3 bg  
   35     36 - 36      3 au         -0.17744635         -4.8286       1           0.000000      3 au  
   36     37 - 37      4 au         -0.11125104         -3.0273       1           0.000000      4 au  
   37     38 - 38      4 bg         -0.09452239         -2.5721       1           0.000000      4 bg  
   38     39 - 39      5 au         -0.02994107         -0.8147       1           0.000000      5 au  
   39     40 - 40      5 bg          0.05981958          1.6278       1           0.000000      5 bg  
   40     41 - 41     16 ag          0.13894375          3.7809       1           0.000000     16 ag  
   41     42 - 42     16 bu          0.14877946          4.0485       1           0.000000     16 bu  
   42     43 - 43     17 bu          0.17857393          4.8593       1           0.000000     17 bu  
   43     44 - 44     17 ag          0.19598800          5.3332       1           0.000000     17 ag  
   44     45 - 45     18 ag          0.21481093          5.8454       1           0.000000     18 ag  
   45     46 - 46     18 bu          0.22111481          6.0169       1           0.000000     18 bu  
   46     47 - 47     19 ag          0.23947864          6.5166       1           0.000000     19 ag  
   47     48 - 48     19 bu          0.24055474          6.5459       1           0.000000     19 bu  
   48     49 - 49     20 bu          0.26206915          7.1313       1           0.000000     20 bu  
   49     50 - 50     20 ag          0.28516918          7.7599       1           0.000000     20 ag  
   50     51 - 51     21 ag          0.32038430          8.7182       1           0.000000     21 ag  
   51     52 - 52     21 bu          0.34321289          9.3394       1           0.000000     21 bu  
   52     53 - 53     22 ag          0.37910193         10.3160       1           0.000000     22 ag  
   53     54 - 54     22 bu          0.39825108         10.8371       1           0.000000     22 bu  
   54     55 - 55     23 bu          0.42569572         11.5839       1           0.000000     23 bu  
   55     56 - 56     23 ag          0.43680705         11.8862       1           0.000000     23 ag  
   56     57 - 57     24 ag          0.47786497         13.0035       1           0.000000     24 ag  
   57     58 - 58     24 bu          0.50473546         13.7347       1           0.000000     24 bu  
   58     59 - 59     25 ag          0.56694722         15.4276       1           0.000000     25 ag  
   59     60 - 60     25 bu          0.58098429         15.8095       1           0.000000     25 bu  
 ===================================================================================================================


 ---------------------------------------------------------------------------
               Number of orbitals belonging to irreps of this group
 ---------------------------------------------------------------------------
  25 ag     5 au     5 bg    25 bu   
 ---------------------------------------------------------------------------


 WARNING: Symmetry assignment was only partially successfull:
 Either:-
 (i)   the geometry is very close to a more symmetrical structure
 (ii)  the symmetry has been intentionally decreased,
 (iii) too high a threshold (degecr) has been used, or 
 (iv)  random degeneracy may have occured

 Degeneracy criterium used was .500E-05 a.u.


                                                  ============
                                                  eigenvectors
                                                  ============


                  -10.2536877392 -10.2536392197 -10.2191956514 -10.2191584400 -10.2178650127 -10.2178081985 -10.2177909128


                         1              2              3              4              5              6              7


    1  1  c s       0.7002705974   0.7002938353  -0.0099535949  -0.0058015402   0.0045841509   0.0032958659   0.0105327833
    2  1  c s       0.0312424586   0.0310506883   0.0076842500   0.0038985154  -0.0039723164  -0.0006778962  -0.0055611615
    3  1  c x       0.0001004793   0.0000427351   0.0031939192   0.0048935304   0.0039433100  -0.0003921213   0.0011778536
    4  1  c y       0.0010426778   0.0007808251   0.0023934579   0.0006302455  -0.0030150894   0.0051017075   0.0037174994
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    6  2  c s      -0.7002705974   0.7002938353   0.0099535949  -0.0058015402  -0.0045841509   0.0032958659  -0.0105327833
    7  2  c s      -0.0312424586   0.0310506883  -0.0076842500   0.0038985154   0.0039723164  -0.0006778962   0.0055611615
    8  2  c x       0.0001004793  -0.0000427351   0.0031939192  -0.0048935304   0.0039433100   0.0003921213   0.0011778536
    9  2  c y       0.0010426778  -0.0007808251   0.0023934579  -0.0006302455  -0.0030150894  -0.0051017075   0.0037174994
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s      -0.0070083623  -0.0074122414  -0.1716038522   0.1983288926   0.6747335234  -0.3436778839   0.0767044788
   12  3  c s      -0.0071101691  -0.0065205126  -0.0141587717   0.0149280667   0.0282207955  -0.0141997394   0.0033315301
   13  3  c x      -0.0034479813  -0.0032616952  -0.0011967014   0.0011278582   0.0008420275  -0.0003314261   0.0000742413
   14  3  c y       0.0028120349   0.0030271441  -0.0043057363   0.0042746191  -0.0005945560   0.0003526141  -0.0000837170
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   16  4  c s       0.0070083623  -0.0074122414   0.1716038522   0.1983288926  -0.6747335234  -0.3436778839  -0.0767044788
   17  4  c s       0.0071101691  -0.0065205126   0.0141587717   0.0149280667  -0.0282207955  -0.0141997394  -0.0033315301
   18  4  c x      -0.0034479813   0.0032616952  -0.0011967014  -0.0011278582   0.0008420275   0.0003314261   0.0000742413
   19  4  c y       0.0028120349  -0.0030271441  -0.0043057363  -0.0042746191  -0.0005945560  -0.0003526141  -0.0000837170
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   21  5  c s       0.0072615637  -0.0075975938   0.6788151462  -0.6715129924   0.1717284115  -0.0974737040   0.0174030375
   22  5  c s       0.0070970843  -0.0064896633   0.0317603741  -0.0314128140   0.0011102130  -0.0010409618  -0.0001329055
   23  5  c x       0.0042344883  -0.0041153874   0.0006641059  -0.0003481397   0.0008872127  -0.0005006580   0.0001187235
   24  5  c y       0.0013157416  -0.0015978525  -0.0018924692   0.0018570341   0.0040085151  -0.0019570984   0.0004005644
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   26  6  c s      -0.0072615637  -0.0075975938  -0.6788151462  -0.6715129924  -0.1717284115  -0.0974737040  -0.0174030375
   27  6  c s      -0.0070970843  -0.0064896633  -0.0317603741  -0.0314128140  -0.0011102130  -0.0010409618   0.0001329055
   28  6  c x       0.0042344883   0.0041153874   0.0006641059   0.0003481397   0.0008872127   0.0005006580   0.0001187235
   29  6  c y       0.0013157416   0.0015978525  -0.0018924692  -0.0018570341   0.0040085151   0.0019570984   0.0004005644
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   31  7  h s       0.0002212014   0.0001098856   0.0017133329  -0.0018344740  -0.0059652084   0.0030841114  -0.0006917671
   32  8  h s      -0.0002212014   0.0001098856  -0.0017133329  -0.0018344740   0.0059652084   0.0030841114   0.0006917671
   33  9  h s      -0.0002160791   0.0001091722  -0.0061251545   0.0061198307  -0.0013708961   0.0007268003   0.0000083023
   34  10 h s       0.0002160791   0.0001091722   0.0061251545   0.0061198307   0.0013708961   0.0007268003  -0.0000083023
   35  11 c s       0.0088947491  -0.0090000054  -0.0023935849   0.0051878949   0.0784669756   0.6009463560  -0.6938563953
   36  11 c s       0.0058600036  -0.0059192958   0.0001337830   0.0001575550   0.0033628748   0.0267766869  -0.0310354578
   37  11 c x      -0.0009727096   0.0009815935  -0.0000665960   0.0001154342  -0.0001136367  -0.0009523058   0.0010969698
   38  11 c y      -0.0039539579   0.0039945705  -0.0000518192  -0.0000500215   0.0001599750   0.0010573287  -0.0012461796
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   40  12 c s      -0.0088947491  -0.0090000054   0.0023935849   0.0051878949  -0.0784669756   0.6009463560   0.6938563953
   41  12 c s      -0.0058600036  -0.0059192958  -0.0001337830   0.0001575550  -0.0033628748   0.0267766869   0.0310354578
   42  12 c x      -0.0009727096  -0.0009815935  -0.0000665960  -0.0001154342  -0.0001136367   0.0009523058   0.0010969698
   43  12 c y      -0.0039539579  -0.0039945705  -0.0000518192   0.0000500215   0.0001599750  -0.0010573287  -0.0012461796
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   45  13 h s      -0.0001519131   0.0001596911  -0.0000220325  -0.0000010722  -0.0006662477  -0.0054017906   0.0062921024
   46  14 h s       0.0001519131   0.0001596911   0.0000220325  -0.0000010722   0.0006662477  -0.0054017906  -0.0062921024
   47  15 c s      -0.0000352388   0.0000426645  -0.0028673761   0.0020307021  -0.0055196087  -0.0445352072   0.0541875179
   48  15 c s      -0.0002707329   0.0002708411  -0.0001905571   0.0001166645  -0.0010223827  -0.0081892380   0.0096244562
   49  15 c x       0.0000883940  -0.0000890801   0.0000553035  -0.0000576700  -0.0003202512  -0.0026005203   0.0029992357
   50  15 c y       0.0001866263  -0.0001914317   0.0000638625  -0.0000274928   0.0003800013   0.0030555594  -0.0035864326
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   52  16 c s       0.0000352388   0.0000426645   0.0028673761   0.0020307021   0.0055196087  -0.0445352072  -0.0541875179
   53  16 c s       0.0002707329   0.0002708411   0.0001905571   0.0001166645   0.0010223827  -0.0081892380  -0.0096244562
   54  16 c x       0.0000883940   0.0000890801   0.0000553035   0.0000576700  -0.0003202512   0.0026005203   0.0029992357
   55  16 c y       0.0001866263   0.0001914317   0.0000638625   0.0000274928   0.0003800013  -0.0030555594  -0.0035864326
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   57  17 h s       0.0001386315  -0.0001313698   0.0001899371  -0.0001865061   0.0000868109   0.0004995204  -0.0006110703
   58  18 h s      -0.0001386315  -0.0001313698  -0.0001899371  -0.0001865061  -0.0000868109   0.0004995204   0.0006110703
   59  19 h s       0.0000237036  -0.0000228533   0.0000039218  -0.0000019702   0.0000624141   0.0005344610  -0.0006309829
   60  20 h s      -0.0000237036  -0.0000228533  -0.0000039218  -0.0000019702  -0.0000624141   0.0005344610   0.0006309829


                  -10.2177402223 -10.2152060058 -10.2152058407  -1.0202342072  -0.9613936117  -0.9213814962  -0.8986096448


                         8              9             10             11             12             13             14


    1  1  c s      -0.0142083936   0.0007852623  -0.0008314669  -0.1122539900   0.1122766845  -0.0054085553  -0.0174000485
    2  1  c s       0.0087949389  -0.0002074851   0.0002313954   0.2905915903  -0.3023162252   0.0177122009   0.0483462783
    3  1  c x      -0.0020243309   0.0000659003  -0.0000728496   0.0093954406   0.0008508893  -0.0118371002  -0.1339313851
    4  1  c y       0.0007595283   0.0002087813  -0.0001979415   0.0480594274   0.0249718661  -0.0999163576   0.0314508462
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    6  2  c s      -0.0142083936  -0.0007852623  -0.0008314669  -0.1122539900  -0.1122766845  -0.0054085553   0.0174000485
    7  2  c s       0.0087949389   0.0002074851   0.0002313954   0.2905915903   0.3023162252   0.0177122009  -0.0483462783
    8  2  c x       0.0020243309   0.0000659003   0.0000728496  -0.0093954406   0.0008508893   0.0118371002  -0.1339313851
    9  2  c y      -0.0007595283   0.0002087813   0.0001979415  -0.0480594274   0.0249718661   0.0999163576   0.0314508462
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s      -0.5772353986   0.0013329094  -0.0038700371  -0.0956947508   0.0404743822   0.0438015731  -0.1346465948
   12  3  c s      -0.0238012553   0.0000726289  -0.0000597730   0.2394806596  -0.1049468996  -0.1144776463   0.3644313455
   13  3  c x      -0.0003228374  -0.0000005279   0.0000231511   0.0612447197  -0.0314863548  -0.0208070439   0.0122081848
   14  3  c y       0.0008001961   0.0000926965  -0.0000062650   0.0105089670   0.0632113376  -0.0337244598   0.0511252147
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   16  4  c s      -0.5772353986  -0.0013329094  -0.0038700371  -0.0956947508  -0.0404743822   0.0438015731   0.1346465948
   17  4  c s      -0.0238012553  -0.0000726289  -0.0000597730   0.2394806596   0.1049468996  -0.1144776463  -0.3644313455
   18  4  c x       0.0003228374  -0.0000005279  -0.0000231511  -0.0612447197  -0.0314863548   0.0208070439   0.0122081848
   19  4  c y      -0.0008001961   0.0000926965   0.0000062650  -0.0105089670   0.0632113376   0.0337244598   0.0511252147
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   21  5  c s      -0.1738090786  -0.0028164433  -0.0036938361  -0.0963026462  -0.0470535735   0.0386680292  -0.1183014827
   22  5  c s      -0.0023818108  -0.0000974304  -0.0000665558   0.2415269728   0.1226824900  -0.1007016250   0.3206503505
   23  5  c x      -0.0006912565   0.0000112295   0.0000069704   0.0534698510   0.0530078137  -0.0046094103  -0.0281399630
   24  5  c y      -0.0035223790   0.0001121224   0.0000638727  -0.0318044893   0.0466281250   0.0468451963  -0.0686884074
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   26  6  c s      -0.1738090786   0.0028164433  -0.0036938361  -0.0963026462   0.0470535735   0.0386680292   0.1183014827
   27  6  c s      -0.0023818108   0.0000974304  -0.0000665558   0.2415269728  -0.1226824900  -0.1007016250  -0.3206503505
   28  6  c x       0.0006912565   0.0000112295  -0.0000069704  -0.0534698510   0.0530078137   0.0046094103  -0.0281399630
   29  6  c y       0.0035223790   0.0001121224  -0.0000638727   0.0318044893   0.0466281250  -0.0468451963  -0.0686884074
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   31  7  h s       0.0052363804  -0.0000228007   0.0000482698   0.0374228442  -0.0233009542  -0.0191372424   0.0872932136
   32  8  h s       0.0052363804   0.0000228007   0.0000482698   0.0374228442   0.0233009542  -0.0191372424  -0.0872932136
   33  9  h s       0.0016340354  -0.0000664930  -0.0000580395   0.0386007927   0.0286045972  -0.0129835895   0.0788998356
   34  10 h s       0.0016340354   0.0000664930  -0.0000580395   0.0386007927  -0.0286045972  -0.0129835895  -0.0788998356
   35  11 c s      -0.3555640753  -0.0553364706  -0.0554259716  -0.0463358086  -0.1080480073  -0.1195298233  -0.0019074369
   36  11 c s      -0.0160205895   0.0049202063   0.0049169111   0.1176643931   0.2790033947   0.3126939973   0.0041073107
   37  11 c x       0.0005537025  -0.0029838701  -0.0029835688  -0.0154859821  -0.0403510359  -0.0544454213  -0.0235965428
   38  11 c y      -0.0007025571   0.0034205485   0.0034187536  -0.0284019360  -0.0116925844   0.0596140996   0.0235017696
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   40  12 c s      -0.3555640753   0.0553364706  -0.0554259716  -0.0463358086   0.1080480073  -0.1195298233   0.0019074369
   41  12 c s      -0.0160205895  -0.0049202063   0.0049169111   0.1176643931  -0.2790033947   0.3126939973  -0.0041073107
   42  12 c x      -0.0005537025  -0.0029838701   0.0029835688   0.0154859821  -0.0403510359   0.0544454213  -0.0235965428
   43  12 c y       0.0007025571   0.0034205485  -0.0034187536   0.0284019360  -0.0116925844  -0.0596140996   0.0235017696
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   45  13 h s       0.0032950923   0.0003763671   0.0003778995   0.0202565896   0.0542307384   0.0658166446  -0.0071480728
   46  14 h s       0.0032950923  -0.0003763671   0.0003778995   0.0202565896  -0.0542307384   0.0658166446   0.0071480728
   47  15 c s       0.0318736665  -0.6983872696  -0.6983669134  -0.0227056173  -0.0763523935  -0.1202080570  -0.0179363836
   48  15 c s       0.0051742266  -0.0303534190  -0.0303510554   0.0585986072   0.2012100737   0.3227328406   0.0481110692
   49  15 c x       0.0015288827  -0.0007607321  -0.0007602973   0.0115346623   0.0360093461   0.0519672974   0.0005156848
   50  15 c y      -0.0019177016   0.0008519855   0.0008509242  -0.0206041877  -0.0541715765  -0.0647010796  -0.0086719337
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   52  16 c s       0.0318736665   0.6983872696  -0.6983669134  -0.0227056173   0.0763523935  -0.1202080570   0.0179363836
   53  16 c s       0.0051742266   0.0303534190  -0.0303510554   0.0585986072  -0.2012100737   0.3227328406  -0.0481110692
   54  16 c x      -0.0015288827  -0.0007607321   0.0007602973  -0.0115346623   0.0360093461  -0.0519672974   0.0005156848
   55  16 c y       0.0019177016   0.0008519855  -0.0008509242   0.0206041877  -0.0541715765   0.0647010796  -0.0086719337
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   57  17 h s      -0.0003709336   0.0063169708   0.0063168161   0.0111084474   0.0400027191   0.0668585679   0.0145467788
   58  18 h s      -0.0003709336  -0.0063169708   0.0063168161   0.0111084474  -0.0400027191   0.0668585679  -0.0145467788
   59  19 h s      -0.0003434043   0.0063150915   0.0063149973   0.0080013412   0.0340118177   0.0637238274   0.0097083387
   60  20 h s      -0.0003434043  -0.0063150915   0.0063149973   0.0080013412  -0.0340118177   0.0637238274  -0.0097083387


                   -0.8767766177  -0.7865989887  -0.7594450670  -0.7226510885  -0.7036232213  -0.6503608712  -0.6346383537


                        15             16             17             18             19             20             21


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    9  2  c y       0.0669075268  -0.0769625388   0.0774607912  -0.1596338445   0.1619978339  -0.1264912152   0.1530391433
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s      -0.0327331125  -0.0013162885   0.1130950090   0.0496924847  -0.0156374719   0.0162971060  -0.0158543014
   12  3  c s       0.0893334083   0.0025389207  -0.3346698387  -0.1524665156   0.0537510858  -0.0615322014   0.0542295518
   13  3  c x       0.0380466369  -0.0265469222   0.0585894224  -0.0128373222  -0.1868375933   0.1378105560   0.0184690453
   14  3  c y      -0.0885160303   0.1710434547   0.0384243564   0.0009013152   0.0915695237   0.1308939762  -0.2153637029
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   18  4  c x       0.0380466369   0.0265469222  -0.0585894224  -0.0128373222   0.1868375933  -0.1378105560   0.0184690453
   19  4  c y      -0.0885160303  -0.1710434547  -0.0384243564   0.0009013152  -0.0915695237  -0.1308939762  -0.2153637029
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   23  5  c x      -0.0586894856  -0.0602666349   0.0927421649   0.0453472836  -0.2021498422   0.0892110610   0.1083037609
   24  5  c y      -0.0376451249  -0.0335146266   0.1754654329   0.0758732849   0.0331813949  -0.1343726661   0.1389186559
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   28  6  c x      -0.0586894856   0.0602666349  -0.0927421649   0.0453472836   0.2021498422  -0.0892110610   0.1083037609
   29  6  c y      -0.0376451249   0.0335146266  -0.1754654329   0.0758732849  -0.0331813949   0.1343726661   0.1389186559
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   37  11 c x      -0.0428936270  -0.0710995961  -0.0459009105  -0.1072499935   0.0604394912   0.1125115277  -0.2146460349
   38  11 c y       0.1250282680   0.1398031623  -0.0772923065   0.0647494812  -0.0178294716   0.1797579606  -0.0911602444
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   42  12 c x      -0.0428936270   0.0710995961   0.0459009105  -0.1072499935  -0.0604394912  -0.1125115277  -0.2146460349
   43  12 c y       0.1250282680  -0.1398031623   0.0772923065   0.0647494812   0.0178294716  -0.1797579606  -0.0911602444
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
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   46  14 h s      -0.0382238027  -0.0652206416  -0.0292052408   0.1523341587   0.1002506994   0.1451262446   0.1374290361
   47  15 c s      -0.1137836389  -0.0819575951   0.0387010227  -0.0852078671   0.0551396437   0.0242951934   0.0138933399
   48  15 c s       0.3133467095   0.2409944094  -0.1179166164   0.2691166167  -0.1780179543  -0.0902956182  -0.0514759400
   49  15 c x       0.0416278174  -0.0243316689  -0.0184215543  -0.1149770646   0.0732918445   0.2271749700  -0.0875117181
   50  15 c y      -0.0339113663   0.0284477252  -0.0406174253   0.0922955419  -0.0806578524  -0.0201518514  -0.1963169243
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   52  16 c s       0.1137836389  -0.0819575951   0.0387010227   0.0852078671   0.0551396437   0.0242951934  -0.0138933399
   53  16 c s      -0.3133467095   0.2409944094  -0.1179166164  -0.2691166167  -0.1780179543  -0.0902956182   0.0514759400
   54  16 c x       0.0416278174   0.0243316689   0.0184215543  -0.1149770646  -0.0732918445  -0.2271749700  -0.0875117181
   55  16 c y      -0.0339113663  -0.0284477252   0.0406174253   0.0922955419   0.0806578524   0.0201518514  -0.1963169243
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   57  17 h s       0.0689857404   0.0866276426  -0.0208569174   0.1474381564  -0.0890085182  -0.1770016027   0.0518403022
   58  18 h s      -0.0689857404   0.0866276426  -0.0208569174  -0.1474381564  -0.0890085182  -0.1770016027  -0.0518403022
   59  19 h s       0.0744176187   0.0807164011  -0.0558099102   0.1151129280  -0.0882982166  -0.0035321820  -0.1504612504
   60  20 h s      -0.0744176187   0.0807164011  -0.0558099102  -0.1151129280  -0.0882982166  -0.0035321820   0.1504612504


                   -0.6037767178  -0.5956506562  -0.5875807665  -0.5680004959  -0.5523394026  -0.5371744400  -0.5331999673


                        22             23             24             25             26             27             28


    1  1  c s      -0.0489847237   0.0502993704  -0.0175028720   0.0037930760  -0.0054125432   0.0232959439   0.0000000000
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    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.3620592783
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    9  2  c y      -0.0724889738  -0.1495351854   0.0021357704  -0.1071259188  -0.1646707069   0.0359856397   0.0000000000
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.3620592783
   11  3  c s       0.0479663439  -0.0280964063   0.0245671600   0.0216049643   0.0116015565   0.0084990455   0.0000000000
   12  3  c s      -0.1644926561   0.1008921472  -0.0832097748  -0.0669897499  -0.0441237021  -0.0393528862   0.0000000000
   13  3  c x       0.1754449250  -0.1229633410  -0.0089767187  -0.3392915133  -0.0329365975   0.1452639433   0.0000000000
   14  3  c y      -0.0961613702  -0.0744031649  -0.0691614955  -0.1072144885   0.2226470084   0.1678575393   0.0000000000
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.2856611750
   16  4  c s      -0.0479663439   0.0280964063   0.0245671600  -0.0216049643  -0.0116015565   0.0084990455   0.0000000000
   17  4  c s       0.1644926561  -0.1008921472  -0.0832097748   0.0669897499   0.0441237021  -0.0393528862   0.0000000000
   18  4  c x       0.1754449250  -0.1229633410   0.0089767187  -0.3392915133  -0.0329365975  -0.1452639433   0.0000000000
   19  4  c y      -0.0961613702  -0.0744031649   0.0691614955  -0.1072144885   0.2226470084  -0.1678575393   0.0000000000
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.2856611750
   21  5  c s      -0.0483509989   0.0196895512  -0.0206329381   0.0168513253  -0.0087169518  -0.0090828721   0.0000000000
   22  5  c s       0.1671781223  -0.0736483881   0.0765567666  -0.0533919590   0.0249450218   0.0305002301   0.0000000000
   23  5  c x       0.0245695653   0.2819784339  -0.0323863489  -0.1913961800  -0.0303030522  -0.0707455062   0.0000000000
   24  5  c y       0.1776693299  -0.0696831435   0.1285246563   0.1959742196  -0.2123630935  -0.1691329195   0.0000000000
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.2876802003
   26  6  c s       0.0483509989  -0.0196895512  -0.0206329381  -0.0168513253   0.0087169518  -0.0090828721   0.0000000000
   27  6  c s      -0.1671781223   0.0736483881   0.0765567666   0.0533919590  -0.0249450218   0.0305002301   0.0000000000
   28  6  c x       0.0245695653   0.2819784339   0.0323863489  -0.1913961800  -0.0303030522   0.0707455062   0.0000000000
   29  6  c y       0.1776693299  -0.0696831435  -0.1285246563   0.1959742196  -0.2123630935   0.1691329195   0.0000000000
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.2876802003
   31  7  h s      -0.1696483114   0.1456208316  -0.0086143706   0.2488023701  -0.0443298901  -0.1688003149   0.0000000000
   32  8  h s       0.1696483114  -0.1456208316  -0.0086143706  -0.2488023701   0.0443298901  -0.1688003149   0.0000000000
   33  9  h s       0.1322730802  -0.2374979772   0.1029404177   0.1900936137  -0.0748640142  -0.0069192763   0.0000000000
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   35  11 c s      -0.0120723224   0.0056314768   0.0217542924  -0.0034469544  -0.0008532140  -0.0238817174   0.0000000000
   36  11 c s       0.0320099523  -0.0197228242  -0.0610837347   0.0075903959  -0.0130407798   0.0977278875   0.0000000000
   37  11 c x      -0.0003283185   0.0013396647   0.2658212458  -0.0180211412  -0.2121769042   0.1883195594   0.0000000000
   38  11 c y       0.2128036340   0.1025253749  -0.0661662588   0.0886609414   0.1708123074  -0.1241946831   0.0000000000
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.1633450337
   40  12 c s       0.0120723224  -0.0056314768   0.0217542924   0.0034469544   0.0008532140  -0.0238817174   0.0000000000
   41  12 c s      -0.0320099523   0.0197228242  -0.0610837347  -0.0075903959   0.0130407798   0.0977278875   0.0000000000
   42  12 c x      -0.0003283185   0.0013396647  -0.2658212458  -0.0180211412  -0.2121769042  -0.1883195594   0.0000000000
   43  12 c y       0.2128036340   0.1025253749   0.0661662588   0.0886609414   0.1708123074   0.1241946831   0.0000000000
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.1633450337
   45  13 h s       0.0524980813  -0.0037232049   0.1519803060  -0.0082328096  -0.1399013540   0.1717618286   0.0000000000
   46  14 h s      -0.0524980813   0.0037232049   0.1519803060   0.0082328096   0.1399013540   0.1717618286   0.0000000000
   47  15 c s       0.0144879670  -0.0051597448  -0.0023770683   0.0032200951  -0.0130952794   0.0097825019   0.0000000000
   48  15 c s      -0.0627293148   0.0126070442   0.0232058191  -0.0169047648   0.0309218166  -0.0243610977   0.0000000000
   49  15 c x       0.2064639611   0.1723352547   0.0094891298   0.0860161964   0.0811096044  -0.2960815951   0.0000000000
   50  15 c y      -0.0704444357   0.0810198374   0.3502842692  -0.0475441858  -0.2854212901  -0.0347160764   0.0000000000
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0925629003
   52  16 c s      -0.0144879670   0.0051597448  -0.0023770683  -0.0032200951   0.0130952794   0.0097825019   0.0000000000
   53  16 c s       0.0627293148  -0.0126070442   0.0232058191   0.0169047648  -0.0309218166  -0.0243610977   0.0000000000
   54  16 c x       0.2064639611   0.1723352547  -0.0094891298   0.0860161964   0.0811096044   0.2960815951   0.0000000000
   55  16 c y      -0.0704444357   0.0810198374  -0.3502842692  -0.0475441858  -0.2854212901   0.0347160764   0.0000000000
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0925629003
   57  17 h s      -0.1479638819  -0.1394519826  -0.0206654576  -0.0524918942  -0.0305373858   0.2376929052   0.0000000000
   58  18 h s       0.1479638819   0.1394519826  -0.0206654576   0.0524918942   0.0305373858   0.2376929052   0.0000000000
   59  19 h s      -0.0257358980   0.0950585297   0.2452295997  -0.0207221518  -0.1777574561  -0.1156257505   0.0000000000
   60  20 h s       0.0257358980  -0.0950585297   0.2452295997   0.0207221518   0.1777574561  -0.1156257505   0.0000000000


                   -0.5010455865  -0.4930011457  -0.4822175114  -0.4732676840  -0.4177796395  -0.3938973976  -0.3697233316


                        29             30             31             32             33             34             35


    1  1  c s       0.0143989908  -0.0054271880   0.0112363059   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    2  1  c s      -0.0602177459   0.0280641272  -0.0506724659   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    3  1  c x       0.0888425891   0.1716272635   0.2634868450   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    4  1  c y       0.2159230205  -0.2536301535   0.1249083157   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.3838547769  -0.0284660395   0.0049262852  -0.3778601041
    6  2  c s      -0.0143989908  -0.0054271880   0.0112363059   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    7  2  c s       0.0602177459   0.0280641272  -0.0506724659   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    8  2  c x       0.0888425891  -0.1716272635  -0.2634868450   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    9  2  c y       0.2159230205   0.2536301535  -0.1249083157   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   10  2  c z       0.0000000000   0.0000000000   0.0000000000  -0.3838547769  -0.0284660395  -0.0049262852   0.3778601041
   11  3  c s      -0.0039195491  -0.0005973892   0.0056331023   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   12  3  c s       0.0109554629   0.0045128741  -0.0128391921   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   13  3  c x       0.0551266728  -0.1625326114  -0.2077641686   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   14  3  c y       0.0450489017   0.2500057890  -0.0787952935   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.1335829987  -0.1689221736   0.4609444175  -0.1952932052
   16  4  c s       0.0039195491  -0.0005973892   0.0056331023   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   17  4  c s      -0.0109554629   0.0045128741  -0.0128391921   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   18  4  c x       0.0551266728   0.1625326114   0.2077641686   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   19  4  c y       0.0450489017  -0.2500057890   0.0787952935   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   20  4  c z       0.0000000000   0.0000000000   0.0000000000  -0.1335829987  -0.1689221736  -0.4609444175   0.1952932052
   21  5  c s       0.0102855679  -0.0034588755  -0.0023530583   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   22  5  c s      -0.0361804012   0.0033118080   0.0046996962   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   23  5  c x      -0.1259288718   0.1346946581   0.2561514968   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   24  5  c y      -0.0065206619  -0.2215761969   0.1007376776   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   25  5  c z       0.0000000000   0.0000000000   0.0000000000  -0.1409037832  -0.1674423223   0.4604614940   0.1997785399
   26  6  c s      -0.0102855679  -0.0034588755  -0.0023530583   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   27  6  c s       0.0361804012   0.0033118080   0.0046996962   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   28  6  c x      -0.1259288718  -0.1346946581  -0.2561514968   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   29  6  c y      -0.0065206619   0.2215761969  -0.1007376776   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.1409037832  -0.1674423223  -0.4604614940  -0.1997785399
   31  7  h s      -0.0388186319   0.0724981737   0.2360930315   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   32  8  h s       0.0388186319   0.0724981737   0.2360930315   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   33  9  h s       0.0399586549  -0.2583109006  -0.1146232770   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   34  10 h s      -0.0399586549  -0.2583109006  -0.1146232770   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   35  11 c s       0.0054666644  -0.0138618204   0.0073646570   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   36  11 c s      -0.0261002871   0.0590138103  -0.0238666484   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   37  11 c x      -0.2381783264  -0.0487462287   0.1678343900   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   38  11 c y      -0.1328381424  -0.2103602620   0.1308431326   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   39  11 c z       0.0000000000   0.0000000000   0.0000000000  -0.3428711152   0.3901082731  -0.0060588633  -0.2285653037
   40  12 c s      -0.0054666644  -0.0138618204   0.0073646570   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   41  12 c s       0.0261002871   0.0590138103  -0.0238666484   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   42  12 c x      -0.2381783264   0.0487462287  -0.1678343900   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   43  12 c y      -0.1328381424   0.2103602620  -0.1308431326   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.3428711152   0.3901082731   0.0060588633   0.2285653037
   45  13 h s      -0.2598958660  -0.0577815271   0.1993667124   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   46  14 h s       0.2598958660  -0.0577815271   0.1993667124   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   47  15 c s      -0.0067269884   0.0046414938   0.0049093243   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   48  15 c s       0.0247629306  -0.0096968839  -0.0197518495   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   49  15 c x       0.2385281121  -0.0052818246  -0.1395421841   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   50  15 c y       0.1429909263   0.1535713874  -0.0725452970   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   51  15 c z       0.0000000000   0.0000000000   0.0000000000  -0.2656026156   0.4475483420   0.0030802293  -0.4291181025
   52  16 c s       0.0067269884   0.0046414938   0.0049093243   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   53  16 c s      -0.0247629306  -0.0096968839  -0.0197518495   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   54  16 c x       0.2385281121   0.0052818246   0.1395421841   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   55  16 c y       0.1429909263  -0.1535713874   0.0725452970   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.2656026156   0.4475483420  -0.0030802293   0.4291181025
   57  17 h s      -0.2355434340  -0.0554967062   0.1398526321   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   58  18 h s       0.2355434340  -0.0554967062   0.1398526321   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   59  19 h s       0.2061500398   0.1304698588  -0.1197315449   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   60  20 h s      -0.2061500398   0.1304698588  -0.1197315449   0.0000000000   0.0000000000   0.0000000000   0.0000000000


                   -0.1774463535  -0.1112510408  -0.0945223873  -0.0299410672   0.0598195752


                        36             37             38             39             40


    1  1  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    2  1  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    3  1  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    4  1  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    5  1  c z      -0.4549453271   0.0278097282   0.0167892667   0.4676728927  -0.5265557009
    6  2  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    7  2  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    8  2  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    9  2  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   10  2  c z      -0.4549453271   0.0278097282  -0.0167892667   0.4676728927   0.5265557009
   11  3  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   12  3  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   13  3  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   14  3  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   15  3  c z       0.2590951846  -0.5826476058  -0.2445570784  -0.1590289487   0.4728317171
   16  4  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   17  4  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   18  4  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   19  4  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   20  4  c z       0.2590951846  -0.5826476058   0.2445570784  -0.1590289487  -0.4728317171
   21  5  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   22  5  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   23  5  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   24  5  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   25  5  c z       0.2967069874   0.5535250559   0.2350396447  -0.1925176463  -0.4742344101
   26  6  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   27  6  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   28  6  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   29  6  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   30  6  c z       0.2967069874   0.5535250559  -0.2350396447  -0.1925176463   0.4742344101
   31  7  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   32  8  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   33  9  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   34  10 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   35  11 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   36  11 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   37  11 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   38  11 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   39  11 c z      -0.2479544242  -0.0070913216  -0.5405942013  -0.5536389905  -0.2914969491
   40  12 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   41  12 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   42  12 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   43  12 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   44  12 c z      -0.2479544242  -0.0070913216   0.5405942013  -0.5536389905   0.2914969491
   45  13 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   46  14 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   47  15 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   48  15 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   49  15 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   50  15 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   51  15 c z       0.4139164170  -0.0058288389   0.5007689266   0.3865047329   0.1553976029
   52  16 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   53  16 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   54  16 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   55  16 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   56  16 c z       0.4139164170  -0.0058288389  -0.5007689266   0.3865047329  -0.1553976029
   57  17 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   58  18 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   59  19 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   60  20 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000


 --------------------------------------------------------------------------------------------------------

                                                  ----- beta set -----

 ========================================================
  m.o. irrep        orbital         orbital       orbital
              energy (a.u.)   energy (e.v.)     occupancy
 ========================================================
    1     3    -10.25070257       -278.9385        1.0000
    2     1    -10.25065842       -278.9373        1.0000
    3     3    -10.21888416       -278.0727        1.0000
    4     1    -10.21885114       -278.0718        1.0000
    5     3    -10.21864984       -278.0663        1.0000
    6     1    -10.21864912       -278.0663        1.0000
    7     3    -10.21763379       -278.0387        1.0000
    8     1    -10.21752624       -278.0357        1.0000
    9     1    -10.21074984       -277.8514        1.0000
   10     3    -10.21074975       -277.8513        1.0000
   11     1     -1.01417176        -27.5973        1.0000
   12     3     -0.95394069        -25.9583        1.0000
   13     1     -0.91351186        -24.8582        1.0000
   14     3     -0.89696937        -24.4080        1.0000
   15     3     -0.86459107        -23.5269        1.0000
   16     1     -0.78125887        -21.2593        1.0000
   17     1     -0.75543061        -20.5565        1.0000
   18     3     -0.71873626        -19.5580        1.0000
   19     1     -0.70048121        -19.0612        1.0000
   20     1     -0.64816994        -17.6378        1.0000
   21     3     -0.63257203        -17.2133        1.0000
   22     3     -0.60104549        -16.3554        1.0000
   23     3     -0.59285791        -16.1326        1.0000
   24     1     -0.58469572        -15.9105        1.0000
   25     3     -0.56728237        -15.4367        1.0000
   26     3     -0.54940750        -14.9503        1.0000
   27     1     -0.53522251        -14.5643        1.0000
   28     2     -0.51689977        -14.0657        1.0000
   29     3     -0.49942240        -13.5901        1.0000
   30     1     -0.49151078        -13.3748        1.0000
   31     1     -0.48062999        -13.0787        1.0000
   32     4     -0.45042151        -12.2567        1.0000
   33     4     -0.39071340        -10.6320        1.0000
   34     2     -0.38864574        -10.5757        1.0000
   35     4     -0.30054035         -8.1782        0.0000
   36     2     -0.14701278         -4.0005        0.0000
   37     2     -0.10314925         -2.8069        0.0000
   38     4     -0.07382089         -2.0088        0.0000
   39     2     -0.00856729         -0.2331        0.0000
   40     4      0.07601824          2.0686        0.0000
   41     1      0.14143222          3.8486        0.0000
   42     3      0.15074246          4.1020        0.0000
   43     3      0.18039665          4.9089        0.0000
   44     1      0.19740500          5.3717        0.0000
   45     1      0.22048742          5.9998        0.0000
   46     3      0.22645128          6.1621        0.0000
   47     3      0.24184036          6.5809        0.0000
   48     1      0.24607245          6.6960        0.0000
   49     3      0.26932698          7.3288        0.0000
   50     1      0.29043252          7.9031        0.0000
   51     1      0.32414647          8.8206        0.0000
   52     3      0.34668382          9.4338        0.0000
   53     1      0.38056282         10.3557        0.0000
   54     3      0.40036804         10.8947        0.0000
   55     3      0.42999432         11.7009        0.0000
   56     1      0.43934745         11.9554        0.0000
   57     1      0.48165134         13.1065        0.0000
   58     3      0.51013379         13.8816        0.0000
   59     1      0.57066075         15.5286        0.0000
   60     3      0.58416016         15.8960        0.0000
 ========================================================

 ===================================================================================================================
                               SYMMETRY ASSIGNMENT
 ===================================================================================================================
 E level    m.o.     symmetry           orbital         orbital  degeneracy  occupancy       decomposition
                                  energy (a.u.)    energy (e.v)
 ===================================================================================================================
    1      1 -  1      1 bu        -10.25070257       -278.9385       1           1.000000      1 bu  
    2      2 -  2      1 ag        -10.25065842       -278.9373       1           1.000000      1 ag  
    3      3 -  3      2 bu        -10.21888416       -278.0727       1           1.000000      2 bu  
    4      4 -  4      2 ag        -10.21885114       -278.0718       1           1.000000      2 ag  
    5      5 -  6      1 e?        -10.21864984       -278.0663       2           2.000000      3 ag    3 bu  
    6      7 -  7      4 bu        -10.21763379       -278.0387       1           1.000000      4 bu  
    7      8 -  8      4 ag        -10.21752624       -278.0357       1           1.000000      4 ag  
    8      9 - 10      2 e?        -10.21074984       -277.8514       2           2.000000      5 ag    5 bu  
    9     11 - 11      6 ag         -1.01417176        -27.5973       1           1.000000      6 ag  
   10     12 - 12      6 bu         -0.95394069        -25.9583       1           1.000000      6 bu  
   11     13 - 13      7 ag         -0.91351186        -24.8582       1           1.000000      7 ag  
   12     14 - 14      7 bu         -0.89696937        -24.4080       1           1.000000      7 bu  
   13     15 - 15      8 bu         -0.86459107        -23.5269       1           1.000000      8 bu  
   14     16 - 16      8 ag         -0.78125887        -21.2593       1           1.000000      8 ag  
   15     17 - 17      9 ag         -0.75543061        -20.5565       1           1.000000      9 ag  
   16     18 - 18      9 bu         -0.71873626        -19.5580       1           1.000000      9 bu  
   17     19 - 19     10 ag         -0.70048121        -19.0612       1           1.000000     10 ag  
   18     20 - 20     11 ag         -0.64816994        -17.6378       1           1.000000     11 ag  
   19     21 - 21     10 bu         -0.63257203        -17.2133       1           1.000000     10 bu  
   20     22 - 22     11 bu         -0.60104549        -16.3554       1           1.000000     11 bu  
   21     23 - 23     12 bu         -0.59285791        -16.1326       1           1.000000     12 bu  
   22     24 - 24     12 ag         -0.58469572        -15.9105       1           1.000000     12 ag  
   23     25 - 25     13 bu         -0.56728237        -15.4367       1           1.000000     13 bu  
   24     26 - 26     14 bu         -0.54940750        -14.9503       1           1.000000     14 bu  
   25     27 - 27     13 ag         -0.53522251        -14.5643       1           1.000000     13 ag  
   26     28 - 28      1 au         -0.51689977        -14.0657       1           1.000000      1 au  
   27     29 - 29     15 bu         -0.49942240        -13.5901       1           1.000000     15 bu  
   28     30 - 30     14 ag         -0.49151078        -13.3748       1           1.000000     14 ag  
   29     31 - 31     15 ag         -0.48062999        -13.0787       1           1.000000     15 ag  
   30     32 - 32      1 bg         -0.45042151        -12.2567       1           1.000000      1 bg  
   31     33 - 33      2 bg         -0.39071340        -10.6320       1           1.000000      2 bg  
   32     34 - 34      2 au         -0.38864574        -10.5757       1           1.000000      2 au  
   33     35 - 35      3 bg         -0.30054035         -8.1782       1           0.000000      3 bg  
   34     36 - 36      3 au         -0.14701278         -4.0005       1           0.000000      3 au  
   35     37 - 37      4 au         -0.10314925         -2.8069       1           0.000000      4 au  
   36     38 - 38      4 bg         -0.07382089         -2.0088       1           0.000000      4 bg  
   37     39 - 39      5 au         -0.00856729         -0.2331       1           0.000000      5 au  
   38     40 - 40      5 bg          0.07601824          2.0686       1           0.000000      5 bg  
   39     41 - 41     16 ag          0.14143222          3.8486       1           0.000000     16 ag  
   40     42 - 42     16 bu          0.15074246          4.1020       1           0.000000     16 bu  
   41     43 - 43     17 bu          0.18039665          4.9089       1           0.000000     17 bu  
   42     44 - 44     17 ag          0.19740500          5.3717       1           0.000000     17 ag  
   43     45 - 45     18 ag          0.22048742          5.9998       1           0.000000     18 ag  
   44     46 - 46     18 bu          0.22645128          6.1621       1           0.000000     18 bu  
   45     47 - 47     19 bu          0.24184036          6.5809       1           0.000000     19 bu  
   46     48 - 48     19 ag          0.24607245          6.6960       1           0.000000     19 ag  
   47     49 - 49     20 bu          0.26932698          7.3288       1           0.000000     20 bu  
   48     50 - 50     20 ag          0.29043252          7.9031       1           0.000000     20 ag  
   49     51 - 51     21 ag          0.32414647          8.8206       1           0.000000     21 ag  
   50     52 - 52     21 bu          0.34668382          9.4338       1           0.000000     21 bu  
   51     53 - 53     22 ag          0.38056282         10.3557       1           0.000000     22 ag  
   52     54 - 54     22 bu          0.40036804         10.8947       1           0.000000     22 bu  
   53     55 - 55     23 bu          0.42999432         11.7009       1           0.000000     23 bu  
   54     56 - 56     23 ag          0.43934745         11.9554       1           0.000000     23 ag  
   55     57 - 57     24 ag          0.48165134         13.1065       1           0.000000     24 ag  
   56     58 - 58     24 bu          0.51013379         13.8816       1           0.000000     24 bu  
   57     59 - 59     25 ag          0.57066075         15.5286       1           0.000000     25 ag  
   58     60 - 60     25 bu          0.58416016         15.8960       1           0.000000     25 bu  
 ===================================================================================================================


 ---------------------------------------------------------------------------
               Number of orbitals belonging to irreps of this group
 ---------------------------------------------------------------------------
  25 ag     5 au     5 bg    25 bu   
 ---------------------------------------------------------------------------


 WARNING: Symmetry assignment was only partially successfull:
 Either:-
 (i)   the geometry is very close to a more symmetrical structure
 (ii)  the symmetry has been intentionally decreased,
 (iii) too high a threshold (degecr) has been used, or 
 (iv)  random degeneracy may have occured

 Degeneracy criterium used was .500E-05 a.u.


                                                  ============
                                                  eigenvectors
                                                  ============


                  -10.2507025702 -10.2506584214 -10.2188841640 -10.2188511364 -10.2186498429 -10.2186491166 -10.2176337883


                         1              2              3              4              5              6              7


    1  1  c s       0.7003116113  -0.7003336438   0.0107085270  -0.0056410289   0.0109203316  -0.0108737586  -0.0062073694
    2  1  c s       0.0309401764  -0.0307526168  -0.0076076777   0.0035698720  -0.0051441984   0.0049952482   0.0045112207
    3  1  c x       0.0000984069  -0.0000412010  -0.0031580631   0.0049354109   0.0006488119  -0.0004353499  -0.0040838267
    4  1  c y       0.0010242901  -0.0007651290  -0.0024812158   0.0007610163   0.0040278422  -0.0040771347   0.0025193064
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    6  2  c s      -0.7003116113  -0.7003336438  -0.0107085270  -0.0056410289  -0.0109203316  -0.0108737586   0.0062073694
    7  2  c s      -0.0309401764  -0.0307526168   0.0076076777   0.0035698720   0.0051441984   0.0049952482  -0.0045112207
    8  2  c x       0.0000984069   0.0000412010  -0.0031580631  -0.0049354109   0.0006488119   0.0004353499  -0.0040838267
    9  2  c y       0.0010242901   0.0007651290  -0.0024812158  -0.0007610163   0.0040278422   0.0040771347   0.0025193064
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s      -0.0077056069   0.0080673923   0.1785862525   0.2061754888  -0.0019175623   0.0288749475  -0.6772750780
   12  3  c s      -0.0070812647   0.0064766977   0.0144179991   0.0152243675   0.0001484428   0.0015127498  -0.0282368084
   13  3  c x      -0.0034061174   0.0032217602   0.0012003240   0.0011268303  -0.0000121319   0.0001862883  -0.0008306506
   14  3  c y       0.0027700256  -0.0029961357   0.0042933570   0.0042464922   0.0000661928   0.0002564647   0.0006378496
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   16  4  c s       0.0077056069   0.0080673923  -0.1785862525   0.2061754888   0.0019175623   0.0288749475   0.6772750780
   17  4  c s       0.0070812647   0.0064766977  -0.0144179991   0.0152243675  -0.0001484428   0.0015127498   0.0282368084
   18  4  c x      -0.0034061174  -0.0032217602   0.0012003240  -0.0011268303  -0.0000121319  -0.0001862883  -0.0008306506
   19  4  c y       0.0027700256   0.0029961357   0.0042933570  -0.0042464922   0.0000661928  -0.0002564647   0.0006378496
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   21  5  c s       0.0079849766   0.0082712112  -0.6768754719  -0.6682493282  -0.0144481366  -0.0276685581  -0.1795076607
   22  5  c s       0.0070695291   0.0064473842  -0.0316854840  -0.0312895054  -0.0007759434  -0.0015689233  -0.0014149779
   23  5  c x       0.0041802411   0.0040671980  -0.0006494615  -0.0003380131   0.0000064718   0.0000932546  -0.0009022552
   24  5  c y       0.0012926242   0.0015838507   0.0019356780   0.0019091902  -0.0000447378   0.0000872819  -0.0040012463
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   26  6  c s      -0.0079849766   0.0082712112   0.6768754719  -0.6682493282   0.0144481366  -0.0276685581   0.1795076607
   27  6  c s      -0.0070695291   0.0064473842   0.0316854840  -0.0312895054   0.0007759434  -0.0015689233   0.0014149779
   28  6  c x       0.0041802411  -0.0040671980  -0.0006494615   0.0003380131   0.0000064718  -0.0000932546  -0.0009022552
   29  6  c y       0.0012926242  -0.0015838507   0.0019356780  -0.0019091902  -0.0000447378  -0.0000872819  -0.0040012463
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   31  7  h s       0.0002276116  -0.0001161445  -0.0017716074  -0.0019034858  -0.0000002833  -0.0002330084   0.0059793015
   32  8  h s      -0.0002276116  -0.0001161445   0.0017716074  -0.0019034858   0.0000002833  -0.0002330084  -0.0059793015
   33  9  h s      -0.0002230670  -0.0001158962   0.0060963800   0.0060730956   0.0002679839   0.0004123126   0.0014208754
   34  10 h s       0.0002230670  -0.0001158962  -0.0060963800   0.0060730956  -0.0002679839   0.0004123126  -0.0014208754
   35  11 c s       0.0097145899   0.0098437248   0.0136511124   0.0350828608  -0.7000414949  -0.6990508715   0.0054622037
   36  11 c s       0.0058342219   0.0058944298   0.0003850127   0.0014962237  -0.0309711277  -0.0309101586   0.0003776565
   37  11 c x      -0.0009625322  -0.0009713393   0.0000432887   0.0000695881   0.0009478456   0.0009495135  -0.0000145233
   38  11 c y      -0.0039028694  -0.0039432240   0.0000736736   0.0000005568  -0.0010710652  -0.0010822821  -0.0000102290
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   40  12 c s      -0.0097145899   0.0098437248  -0.0136511124   0.0350828608   0.7000414949  -0.6990508715  -0.0054622037
   41  12 c s      -0.0058342219   0.0058944298  -0.0003850127   0.0014962237   0.0309711277  -0.0309101586  -0.0003776565
   42  12 c x      -0.0009625322   0.0009713393   0.0000432887  -0.0000695881   0.0009478456  -0.0009495135  -0.0000145233
   43  12 c y      -0.0039028694   0.0039432240   0.0000736736  -0.0000005568  -0.0010710652   0.0010822821  -0.0000102290
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   45  13 h s      -0.0001579217  -0.0001659824  -0.0000799118  -0.0002737616   0.0063507127   0.0063409420  -0.0000940405
   46  14 h s       0.0001579217  -0.0001659824   0.0000799118  -0.0002737616  -0.0063507127   0.0063409420   0.0000940405
   47  15 c s      -0.0000938765  -0.0000917818   0.0009860069   0.0001492876   0.0178880941   0.0178447580  -0.0002624469
   48  15 c s      -0.0002832945  -0.0002829015  -0.0000120219  -0.0002807786   0.0080861697   0.0080745342  -0.0001059772
   49  15 c x       0.0000819642   0.0000825339  -0.0001050566  -0.0001861798   0.0029788608   0.0029747249  -0.0000418998
   50  15 c y       0.0001893359   0.0001942366  -0.0000036081   0.0001282613  -0.0035687352  -0.0035622072   0.0000516925
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   52  16 c s       0.0000938765  -0.0000917818  -0.0009860069   0.0001492876  -0.0178880941   0.0178447580   0.0002624469
   53  16 c s       0.0002832945  -0.0002829015   0.0000120219  -0.0002807786  -0.0080861697   0.0080745342   0.0001059772
   54  16 c x       0.0000819642  -0.0000825339  -0.0001050566   0.0001861798   0.0029788608  -0.0029747249  -0.0000418998
   55  16 c y       0.0001893359  -0.0001942366  -0.0000036081  -0.0001282613  -0.0035687352   0.0035622072   0.0000516925
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   57  17 h s       0.0001383864   0.0001309954  -0.0001698016  -0.0001631144  -0.0002864669  -0.0002905816  -0.0000215442
   58  18 h s      -0.0001383864   0.0001309954   0.0001698016  -0.0001631144   0.0002864669  -0.0002905816   0.0000215442
   59  19 h s       0.0000247518   0.0000237749   0.0000156059   0.0000209128  -0.0002999582  -0.0002996203   0.0000070009
   60  20 h s      -0.0000247518   0.0000237749  -0.0000156059   0.0000209128   0.0002999582  -0.0002996203  -0.0000070009


                  -10.2175262386 -10.2107498380 -10.2107497507  -1.0141717607  -0.9539406865  -0.9135118576  -0.8969693677


                         8              9             10             11             12             13             14


    1  1  c s      -0.0117419138   0.0002184120  -0.0001996973  -0.1096281129  -0.1107001445  -0.0092120100  -0.0120199917
    2  1  c s       0.0073724074   0.0000735507  -0.0000789602   0.2798599138   0.2944731544   0.0280671937   0.0329035100
    3  1  c x      -0.0018939528   0.0000316577  -0.0000288388   0.0091637767  -0.0018218163  -0.0132960095  -0.1324647594
    4  1  c y       0.0031444455   0.0000028634  -0.0000040458   0.0472921951  -0.0287170506  -0.1046920863   0.0277186311
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    6  2  c s      -0.0117419138   0.0002184120   0.0001996973  -0.1096281129   0.1107001445  -0.0092120100   0.0120199917
    7  2  c s       0.0073724074   0.0000735507   0.0000789602   0.2798599138  -0.2944731544   0.0280671937  -0.0329035100
    8  2  c x       0.0018939528  -0.0000316577  -0.0000288388  -0.0091637767  -0.0018218163   0.0132960095  -0.1324647594
    9  2  c y      -0.0031444455  -0.0000028634  -0.0000040458  -0.0472921951  -0.0287170506   0.1046920863   0.0277186311
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s      -0.6688202573   0.0012024974  -0.0004660855  -0.0970971560  -0.0403803787   0.0448781786  -0.1328900731
   12  3  c s      -0.0274676926  -0.0000378956  -0.0000145610   0.2446172860   0.1057150946  -0.1177955434   0.3599834086
   13  3  c x      -0.0004252656  -0.0000171941   0.0000028535   0.0615186432   0.0310194273  -0.0203498610   0.0096389502
   14  3  c y       0.0009189958   0.0000217792  -0.0000831266   0.0127469974  -0.0639014974  -0.0382325679   0.0572694716
   15  3  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   16  4  c s      -0.6688202573   0.0012024974   0.0004660855  -0.0970971560   0.0403803787   0.0448781786   0.1328900731
   17  4  c s      -0.0274676926  -0.0000378956   0.0000145610   0.2446172860  -0.1057150946  -0.1177955434  -0.3599834086
   18  4  c x       0.0004252656   0.0000171941   0.0000028535  -0.0615186432   0.0310194273   0.0203498610   0.0096389502
   19  4  c y      -0.0009189958  -0.0000217792  -0.0000831266  -0.0127469974  -0.0639014974   0.0382325679   0.0572694716
   20  4  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   21  5  c s      -0.2081617336   0.0014830257   0.0012770908  -0.0975538799   0.0468212230   0.0399406959  -0.1219247749
   22  5  c s      -0.0029949780  -0.0000086175   0.0000148736   0.2461022383  -0.1231069558  -0.1043868193   0.3303384014
   23  5  c x      -0.0008460352  -0.0000069333  -0.0000108475   0.0527994069  -0.0526675956  -0.0026338085  -0.0261619066
   24  5  c y      -0.0039952875  -0.0000837199  -0.0001061824  -0.0340288787  -0.0472939175   0.0505617043  -0.0681558475
   25  5  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   26  6  c s      -0.2081617336   0.0014830257  -0.0012770908  -0.0975538799  -0.0468212230   0.0399406959   0.1219247749
   27  6  c s      -0.0029949780  -0.0000086175  -0.0000148736   0.2461022383   0.1231069558  -0.1043868193  -0.3303384014
   28  6  c x       0.0008460352   0.0000069333  -0.0000108475  -0.0527994069  -0.0526675956   0.0026338085  -0.0261619066
   29  6  c y       0.0039952875   0.0000837199  -0.0001061824   0.0340288787  -0.0472939175  -0.0505617043  -0.0681558475
   30  6  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   31  7  h s       0.0060427096  -0.0000221892   0.0000136258   0.0387969527   0.0241167617  -0.0198854482   0.0868782017
   32  8  h s       0.0060427096  -0.0000221892  -0.0000136258   0.0387969527  -0.0241167617  -0.0198854482  -0.0868782017
   33  9  h s       0.0018593541   0.0000836425   0.0000850310   0.0399618394  -0.0294590398  -0.0138629620   0.0816371975
   34  10 h s       0.0018593541   0.0000836425  -0.0000850310   0.0399618394   0.0294590398  -0.0138629620  -0.0816371975
   35  11 c s      -0.0192461639   0.0187431642   0.0187455109  -0.0467607292   0.1112336194  -0.1240797345   0.0008685108
   36  11 c s      -0.0009651689  -0.0064287139  -0.0064286068   0.1210408043  -0.2922229348   0.3300399409  -0.0030488694
   37  11 c x       0.0000040695   0.0029774327   0.0029777032  -0.0152640067   0.0396601827  -0.0525692431  -0.0215487582
   38  11 c y      -0.0000842857  -0.0034115522  -0.0034121210  -0.0294969341   0.0148901694   0.0538606935   0.0173736799
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   40  12 c s      -0.0192461639   0.0187431642  -0.0187455109  -0.0467607292  -0.1112336194  -0.1240797345  -0.0008685108
   41  12 c s      -0.0009651689  -0.0064287139   0.0064286068   0.1210408043   0.2922229348   0.3300399409   0.0030488694
   42  12 c x      -0.0000040695  -0.0029774327   0.0029777032   0.0152640067   0.0396601827   0.0525692431  -0.0215487582
   43  12 c y       0.0000842857   0.0034115522  -0.0034121210   0.0294969341   0.0148901694  -0.0538606935   0.0173736799
   44  12 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   45  13 h s       0.0002596510  -0.0000457789  -0.0000453935   0.0207768747  -0.0571590611   0.0703882402  -0.0087127010
   46  14 h s       0.0002596510  -0.0000457789   0.0000453935   0.0207768747   0.0571590611   0.0703882402   0.0087127010
   47  15 c s       0.0020564047   0.7003862723   0.7003874701  -0.0215360773   0.0729227459  -0.1133011354  -0.0118740859
   48  15 c s       0.0003633548   0.0303417819   0.0303419622   0.0541751456  -0.1874842263   0.2969716170   0.0307974263
   49  15 c x       0.0000685773   0.0008965274   0.0008965627   0.0113480472  -0.0362400914   0.0524122613  -0.0013460451
   50  15 c y      -0.0001876273  -0.0010169338  -0.0010172057  -0.0203784199   0.0546184249  -0.0656026147  -0.0069547377
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   52  16 c s       0.0020564047   0.7003862723  -0.7003874701  -0.0215360773  -0.0729227459  -0.1133011354   0.0118740859
   53  16 c s       0.0003633548   0.0303417819  -0.0303419622   0.0541751456   0.1874842263   0.2969716170  -0.0307974263
   54  16 c x      -0.0000685773  -0.0008965274   0.0008965627  -0.0113480472  -0.0362400914  -0.0524122613  -0.0013460451
   55  16 c y       0.0001876273   0.0010169338  -0.0010172057   0.0203784199   0.0546184249   0.0656026147  -0.0069547377
   56  16 c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   57  17 h s      -0.0000455622  -0.0062337471  -0.0062336420   0.0111564464  -0.0401960717   0.0659773084   0.0113398561
   58  18 h s      -0.0000455622  -0.0062337471   0.0062336420   0.0111564464   0.0401960717   0.0659773084  -0.0113398561
   59  19 h s      -0.0000022885  -0.0062318854  -0.0062318405   0.0079276316  -0.0339600389   0.0627717049   0.0062287102
   60  20 h s      -0.0000022885  -0.0062318854   0.0062318405   0.0079276316   0.0339600389   0.0627717049  -0.0062287102


                   -0.8645910720  -0.7812588712  -0.7554306133  -0.7187362630  -0.7004812117  -0.6481699408  -0.6325720307


                        15             16             17             18             19             20             21


    1  1  c s       0.0949492621   0.0725177145  -0.0566146413  -0.0081996571  -0.0481031105  -0.0318923273  -0.0170063782
    2  1  c s      -0.2630456031  -0.2138769193   0.1694843315   0.0225988508   0.1444330788   0.1063695762   0.0592493029
    3  1  c x      -0.0213213829   0.1411029490   0.1931733844   0.0680761860  -0.0055562999  -0.0558890035   0.1654731896
    4  1  c y      -0.0712805217   0.0655913694  -0.0771898052   0.1541890207   0.1628786073  -0.1213169367  -0.1538959243
    5  1  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
    6  2  c s      -0.0949492621   0.0725177145  -0.0566146413   0.0081996571  -0.0481031105  -0.0318923273   0.0170063782
    7  2  c s       0.2630456031  -0.2138769193   0.1694843315  -0.0225988508   0.1444330788   0.1063695762  -0.0592493029
    8  2  c x      -0.0213213829  -0.1411029490  -0.1931733844   0.0680761860   0.0055562999   0.0558890035   0.1654731896
    9  2  c y      -0.0712805217  -0.0655913694   0.0771898052   0.1541890207  -0.1628786073   0.1213169367  -0.1538959243
   10  2  c z       0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   11  3  c s       0.0413829636   0.0080146343   0.1114654734  -0.0498509851   0.0137150574  -0.0167079353   0.0174940193
   12  3  c s      -0.1144130987  -0.0247741217  -0.3299712307   0.1533050854  -0.0475021191   0.0628507583  -0.0596306975
   13  3  c x      -0.0388384897  -0.0261626510   0.0652590336   0.0110942749   0.1903350274  -0.1347207208  -0.0131468120
   14  3  c y       0.0887602023   0.1731146340   0.0267911484   0.0016697117  -0.0886471635  -0.1352161879   0.2153976694
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                   -0.6010454869  -0.5928579072  -0.5846957202  -0.5672823731  -0.5494074961  -0.5352225084  -0.5168997734


                        22             23             24             25             26             27             28


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                   -0.4994223986  -0.4915107796  -0.4806299863  -0.4504215089  -0.3907134017  -0.3886457352  -0.3005403478


                        29             30             31             32             33             34             35


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   31  7  h s      -0.0381675208   0.0565889727   0.2393287736   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   32  8  h s       0.0381675208   0.0565889727   0.2393287736   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   33  9  h s       0.0410633417  -0.2480844199  -0.1325796110   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   34  10 h s      -0.0410633417  -0.2480844199  -0.1325796110   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   35  11 c s       0.0046633650  -0.0137749804   0.0067151871   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   36  11 c s      -0.0222153729   0.0591952994  -0.0216466353   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   37  11 c x      -0.2350839151  -0.0577780091   0.1642590668   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   38  11 c y      -0.1342126656  -0.2222620963   0.1162381647   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   39  11 c z       0.0000000000   0.0000000000   0.0000000000   0.3902484816  -0.0047095085   0.4464410996   0.2590455312
   40  12 c s      -0.0046633650  -0.0137749804   0.0067151871   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   41  12 c s       0.0222153729   0.0591952994  -0.0216466353   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   42  12 c x      -0.2350839151   0.0577780091  -0.1642590668   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   43  12 c y      -0.1342126656   0.2222620963  -0.1162381647   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   44  12 c z       0.0000000000   0.0000000000   0.0000000000  -0.3902484816   0.0047095085   0.4464410996  -0.2590455312
   45  13 h s      -0.2556648188  -0.0705033960   0.1943209262   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   46  14 h s       0.2556648188  -0.0705033960   0.1943209262   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   47  15 c s      -0.0065036651   0.0044914311   0.0052919055   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   48  15 c s       0.0235668327  -0.0085820447  -0.0202306985   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   49  15 c x       0.2360541311   0.0047423810  -0.1393809364   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   50  15 c y       0.1451942368   0.1606844375  -0.0627479366   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   51  15 c z       0.0000000000   0.0000000000   0.0000000000   0.2367041499   0.0046923902   0.3701504948   0.3821223100
   52  16 c s       0.0065036651   0.0044914311   0.0052919055   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   53  16 c s      -0.0235668327  -0.0085820447  -0.0202306985   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   54  16 c x       0.2360541311  -0.0047423810   0.1393809364   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   55  16 c y       0.1451942368  -0.1606844375   0.0627479366   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   56  16 c z       0.0000000000   0.0000000000   0.0000000000  -0.2367041499  -0.0046923902   0.3701504948  -0.3821223100
   57  17 h s      -0.2409246320  -0.0672172430   0.1395096983   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   58  18 h s       0.2409246320  -0.0672172430   0.1395096983   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   59  19 h s       0.2136870882   0.1444293286  -0.1147785335   0.0000000000   0.0000000000   0.0000000000   0.0000000000
   60  20 h s      -0.2136870882   0.1444293286  -0.1147785335   0.0000000000   0.0000000000   0.0000000000   0.0000000000


                   -0.1470127801  -0.1031492458  -0.0738208911  -0.0085672890


                        36             37             38             39


    1  1  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    2  1  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    3  1  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    4  1  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    5  1  c z      -0.4624605288   0.0396817915   0.0362231393  -0.4796858436
    6  2  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    7  2  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    8  2  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
    9  2  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   10  2  c z      -0.4624605288   0.0396817915  -0.0362231393  -0.4796858436
   11  3  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   12  3  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   13  3  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   14  3  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   15  3  c z       0.2174889113  -0.5861701595  -0.2457405099   0.1546522728
   16  4  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   17  4  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   18  4  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   19  4  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   20  4  c z       0.2174889113  -0.5861701595   0.2457405099   0.1546522728
   21  5  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   22  5  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   23  5  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   24  5  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   25  5  c z       0.2799867035   0.5488471673   0.2367709521   0.1900088741
   26  6  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   27  6  c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   28  6  c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   29  6  c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   30  6  c z       0.2799867035   0.5488471673  -0.2367709521   0.1900088741
   31  7  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   32  8  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   33  9  h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   34  10 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   35  11 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   36  11 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   37  11 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   38  11 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   39  11 c z      -0.1937801064  -0.0052982349  -0.4906825755   0.5275462020
   40  12 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   41  12 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   42  12 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   43  12 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   44  12 c z      -0.1937801064  -0.0052982349   0.4906825755   0.5275462020
   45  13 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   46  14 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   47  15 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   48  15 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   49  15 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   50  15 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   51  15 c z       0.4658603073  -0.0167093912   0.5465618079  -0.4105303820
   52  16 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   53  16 c s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   54  16 c x       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   55  16 c y       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   56  16 c z       0.4658603073  -0.0167093912  -0.5465618079  -0.4105303820
   57  17 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   58  18 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   59  19 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000
   60  20 h s       0.0000000000   0.0000000000   0.0000000000   0.0000000000


 end of uhf-scf at      45.81 seconds

 --------------------------------------------------------------------------------------------------------



 ================================================================================

                                        *********************
                                        wavefunction analysis
                                        *********************

 commence analysis at     45.81 seconds

                 dipole moments


           nuclear      electronic           total

 x       0.0000000       0.0000000       0.0000000
 y       0.0000000       0.0000000       0.0000000
 z       0.0000000       0.0000000       0.0000000

 total dipole moment =        0.0000000 (a.u.)
                              0.0000000 (debye)


 ================================================================================

          ---------------------------------------
          mulliken and lowdin population analyses             alpha electrons
          ---------------------------------------

          ----- total gross population in aos ------

              1  1  c s         0.99543     0.99264
              2  1  c s         0.58873     0.53416
              3  1  c x         0.48181     0.50516
              4  1  c y         0.48062     0.50028
              5  1  c z         0.53218     0.52954
              6  2  c s         0.99543     0.99264
              7  2  c s         0.58873     0.53416
              8  2  c x         0.48181     0.50516
              9  2  c y         0.48062     0.50028
             10  2  c z         0.53218     0.52954
             11  3  c s         0.99543     0.99270
             12  3  c s         0.58359     0.52574
             13  3  c x         0.49896     0.51343
             14  3  c y         0.47154     0.49902
             15  3  c z         0.47939     0.48049
             16  4  c s         0.99543     0.99270
             17  4  c s         0.58359     0.52574
             18  4  c x         0.49896     0.51343
             19  4  c y         0.47154     0.49902
             20  4  c z         0.47939     0.48049
             21  5  c s         0.99542     0.99269
             22  5  c s         0.58263     0.52469
             23  5  c x         0.48333     0.50405
             24  5  c y         0.48865     0.50981
             25  5  c z         0.48326     0.48420
             26  6  c s         0.99542     0.99269
             27  6  c s         0.58263     0.52469
             28  6  c x         0.48333     0.50405
             29  6  c y         0.48865     0.50981
             30  6  c z         0.48326     0.48420
             31  7  h s         0.43580     0.45955
             32  8  h s         0.43580     0.45955
             33  9  h s         0.43770     0.46079
             34  10 h s         0.43770     0.46079
             35  11 c s         0.99545     0.99268
             36  11 c s         0.57995     0.52346
             37  11 c x         0.50784     0.52170
             38  11 c y         0.45504     0.48365
             39  11 c z         0.45374     0.45521
             40  12 c s         0.99545     0.99268
             41  12 c s         0.57995     0.52346
             42  12 c x         0.50784     0.52170
             43  12 c y         0.45504     0.48365
             44  12 c z         0.45374     0.45521
             45  13 h s         0.43863     0.46193
             46  14 h s         0.43863     0.46193
             47  15 c s         0.99564     0.99322
             48  15 c s         0.61623     0.54068
             49  15 c x         0.51971     0.53142
             50  15 c y         0.51913     0.53292
             51  15 c z         0.55144     0.55056
             52  16 c s         0.99564     0.99322
             53  16 c s         0.61623     0.54068
             54  16 c x         0.51971     0.53142
             55  16 c y         0.51913     0.53292
             56  16 c z         0.55144     0.55056
             57  17 h s         0.43088     0.45525
             58  18 h s         0.43088     0.45525
             59  19 h s         0.42185     0.44839
             60  20 h s         0.42185     0.44839

          ----- condensed to atoms -----


          ----- total gross population on atoms ----

              1  c            6.0     3.07875     3.06177
              2  c            6.0     3.07875     3.06177
              3  c            6.0     3.02891     3.01137
              4  c            6.0     3.02891     3.01137
              5  c            6.0     3.03330     3.01544
              6  c            6.0     3.03330     3.01544
              7  h            1.0     0.43580     0.45955
              8  h            1.0     0.43580     0.45955
              9  h            1.0     0.43770     0.46079
             10  h            1.0     0.43770     0.46079
             11  c            6.0     2.99203     2.97670
             12  c            6.0     2.99203     2.97670
             13  h            1.0     0.43863     0.46193
             14  h            1.0     0.43863     0.46193
             15  c            6.0     3.20215     3.14881
             16  c            6.0     3.20215     3.14881
             17  h            1.0     0.43088     0.45525
             18  h            1.0     0.43088     0.45525
             19  h            1.0     0.42185     0.44839
             20  h            1.0     0.42185     0.44839


 ================================================================================

          ---------------------------------------
          mulliken and lowdin population analyses              beta electrons
          ---------------------------------------

          ----- total gross population in aos ------

              1  1  c s         0.99540     0.99247
              2  1  c s         0.57516     0.52552
              3  1  c x         0.47776     0.50206
              4  1  c y         0.47384     0.49500
              5  1  c z         0.34317     0.34308
              6  2  c s         0.99540     0.99247
              7  2  c s         0.57516     0.52552
              8  2  c x         0.47776     0.50206
              9  2  c y         0.47384     0.49500
             10  2  c z         0.34317     0.34308
             11  3  c s         0.99544     0.99272
             12  3  c s         0.58464     0.52624
             13  3  c x         0.50148     0.51518
             14  3  c y         0.47413     0.50087
             15  3  c z         0.45409     0.45416
             16  4  c s         0.99544     0.99272
             17  4  c s         0.58464     0.52624
             18  4  c x         0.50148     0.51518
             19  4  c y         0.47413     0.50087
             20  4  c z         0.45409     0.45416
             21  5  c s         0.99543     0.99269
             22  5  c s         0.58316     0.52486
             23  5  c x         0.48748     0.50700
             24  5  c y         0.48908     0.51007
             25  5  c z         0.45217     0.45219
             26  6  c s         0.99543     0.99269
             27  6  c s         0.58316     0.52486
             28  6  c x         0.48748     0.50700
             29  6  c y         0.48908     0.51007
             30  6  c z         0.45217     0.45219
             31  7  h s         0.43706     0.46048
             32  8  h s         0.43706     0.46048
             33  9  h s         0.43924     0.46192
             34  10 h s         0.43924     0.46192
             35  11 c s         0.99549     0.99280
             36  11 c s         0.58885     0.52862
             37  11 c x         0.51367     0.52584
             38  11 c y         0.46551     0.49124
             39  11 c z         0.48455     0.48294
             40  12 c s         0.99549     0.99280
             41  12 c s         0.58885     0.52862
             42  12 c x         0.51367     0.52584
             43  12 c y         0.46551     0.49124
             44  12 c z         0.48455     0.48294
             45  13 h s         0.43657     0.46037
             46  14 h s         0.43657     0.46037
             47  15 c s         0.99558     0.99296
             48  15 c s         0.59429     0.52715
             49  15 c x         0.50961     0.52367
             50  15 c y         0.50925     0.52541
             51  15 c z         0.26603     0.26764
             52  16 c s         0.99558     0.99296
             53  16 c s         0.59429     0.52715
             54  16 c x         0.50961     0.52367
             55  16 c y         0.50925     0.52541
             56  16 c z         0.26603     0.26764
             57  17 h s         0.44526     0.46570
             58  18 h s         0.44526     0.46570
             59  19 h s         0.43662     0.45916
             60  20 h s         0.43662     0.45916

          ----- condensed to atoms -----


          ----- total gross population on atoms ----

              1  c            6.0     2.86533     2.85813
              2  c            6.0     2.86533     2.85813
              3  c            6.0     3.00977     2.98917
              4  c            6.0     3.00977     2.98917
              5  c            6.0     3.00731     2.98682
              6  c            6.0     3.00731     2.98682
              7  h            1.0     0.43706     0.46048
              8  h            1.0     0.43706     0.46048
              9  h            1.0     0.43924     0.46192
             10  h            1.0     0.43924     0.46192
             11  c            6.0     3.04807     3.02143
             12  c            6.0     3.04807     3.02143
             13  h            1.0     0.43657     0.46037
             14  h            1.0     0.43657     0.46037
             15  c            6.0     2.87477     2.83683
             16  c            6.0     2.87477     2.83683
             17  h            1.0     0.44526     0.46570
             18  h            1.0     0.44526     0.46570
             19  h            1.0     0.43662     0.45916
             20  h            1.0     0.43662     0.45916

          ----- aos spin population ------

              1  1  c s         0.00003     0.00017
              2  1  c s         0.01356     0.00864
              3  1  c x         0.00405     0.00310
              4  1  c y         0.00677     0.00527
              5  1  c z         0.18901     0.18646
              6  2  c s         0.00003     0.00017
              7  2  c s         0.01356     0.00864
              8  2  c x         0.00405     0.00310
              9  2  c y         0.00677     0.00527
             10  2  c z         0.18901     0.18646
             11  3  c s        -0.00001    -0.00002
             12  3  c s        -0.00106    -0.00050
             13  3  c x        -0.00252    -0.00175
             14  3  c y        -0.00259    -0.00185
             15  3  c z         0.02530     0.02633
             16  4  c s        -0.00001    -0.00002
             17  4  c s        -0.00106    -0.00050
             18  4  c x        -0.00252    -0.00175
             19  4  c y        -0.00259    -0.00185
             20  4  c z         0.02530     0.02633
             21  5  c s        -0.00001    -0.00001
             22  5  c s        -0.00053    -0.00017
             23  5  c x        -0.00414    -0.00295
             24  5  c y        -0.00042    -0.00026
             25  5  c z         0.03109     0.03202
             26  6  c s        -0.00001    -0.00001
             27  6  c s        -0.00053    -0.00017
             28  6  c x        -0.00414    -0.00295
             29  6  c y        -0.00042    -0.00026
             30  6  c z         0.03109     0.03202
             31  7  h s        -0.00126    -0.00093
             32  8  h s        -0.00126    -0.00093
             33  9  h s        -0.00153    -0.00113
             34  10 h s        -0.00153    -0.00113
             35  11 c s        -0.00004    -0.00011
             36  11 c s        -0.00890    -0.00515
             37  11 c x        -0.00582    -0.00415
             38  11 c y        -0.01047    -0.00759
             39  11 c z        -0.03081    -0.02773
             40  12 c s        -0.00004    -0.00011
             41  12 c s        -0.00890    -0.00515
             42  12 c x        -0.00582    -0.00415
             43  12 c y        -0.01047    -0.00759
             44  12 c z        -0.03081    -0.02773
             45  13 h s         0.00206     0.00156
             46  14 h s         0.00206     0.00156
             47  15 c s         0.00006     0.00026
             48  15 c s         0.02194     0.01353
             49  15 c x         0.01010     0.00775
             50  15 c y         0.00988     0.00751
             51  15 c z         0.28540     0.28292
             52  16 c s         0.00006     0.00026
             53  16 c s         0.02194     0.01353
             54  16 c x         0.01010     0.00775
             55  16 c y         0.00988     0.00751
             56  16 c z         0.28540     0.28292
             57  17 h s        -0.01438    -0.01044
             58  18 h s        -0.01438    -0.01044
             59  19 h s        -0.01477    -0.01078
             60  20 h s        -0.01477    -0.01078

          ----- atomic spin population -----

              1  c            6.0     0.21342     0.20364
              2  c            6.0     0.21342     0.20364
              3  c            6.0     0.01913     0.02221
              4  c            6.0     0.01913     0.02221
              5  c            6.0     0.02599     0.02862
              6  c            6.0     0.02599     0.02862
              7  h            1.0    -0.00126    -0.00093
              8  h            1.0    -0.00126    -0.00093
              9  h            1.0    -0.00153    -0.00113
             10  h            1.0    -0.00153    -0.00113
             11  c            6.0    -0.05604    -0.04473
             12  c            6.0    -0.05604    -0.04473
             13  h            1.0     0.00206     0.00156
             14  h            1.0     0.00206     0.00156
             15  c            6.0     0.32738     0.31198
             16  c            6.0     0.32738     0.31198
             17  h            1.0    -0.01438    -0.01044
             18  h            1.0    -0.01438    -0.01044
             19  h            1.0    -0.01477    -0.01078
             20  h            1.0    -0.01477    -0.01078


 ================================================================================

          ---------------------------------------
          mulliken and lowdin population analyses               all electrons
          ---------------------------------------

          ----- total gross population in aos ------

              1  1  c s         1.99083     1.98510
              2  1  c s         1.16389     1.05968
              3  1  c x         0.95956     1.00721
              4  1  c y         0.95446     0.99528
              5  1  c z         0.87534     0.87262
              6  2  c s         1.99083     1.98510
              7  2  c s         1.16389     1.05968
              8  2  c x         0.95956     1.00721
              9  2  c y         0.95446     0.99528
             10  2  c z         0.87534     0.87262
             11  3  c s         1.99087     1.98542
             12  3  c s         1.16823     1.05198
             13  3  c x         1.00044     1.02861
             14  3  c y         0.94566     0.99989
             15  3  c z         0.93348     0.93464
             16  4  c s         1.99087     1.98542
             17  4  c s         1.16823     1.05198
             18  4  c x         1.00044     1.02861
             19  4  c y         0.94566     0.99989
             20  4  c z         0.93348     0.93464
             21  5  c s         1.99085     1.98538
             22  5  c s         1.16579     1.04955
             23  5  c x         0.97081     1.01105
             24  5  c y         0.97773     1.01989
             25  5  c z         0.93543     0.93639
             26  6  c s         1.99085     1.98538
             27  6  c s         1.16579     1.04955
             28  6  c x         0.97081     1.01105
             29  6  c y         0.97773     1.01989
             30  6  c z         0.93543     0.93639
             31  7  h s         0.87286     0.92002
             32  8  h s         0.87286     0.92002
             33  9  h s         0.87694     0.92272
             34  10 h s         0.87694     0.92272
             35  11 c s         1.99095     1.98548
             36  11 c s         1.16880     1.05208
             37  11 c x         1.02151     1.04754
             38  11 c y         0.92055     0.97488
             39  11 c z         0.93828     0.93814
             40  12 c s         1.99095     1.98548
             41  12 c s         1.16880     1.05208
             42  12 c x         1.02151     1.04754
             43  12 c y         0.92055     0.97488
             44  12 c z         0.93828     0.93814
             45  13 h s         0.87521     0.92230
             46  14 h s         0.87521     0.92230
             47  15 c s         1.99122     1.98618
             48  15 c s         1.21052     1.06783
             49  15 c x         1.02932     1.05509
             50  15 c y         1.02838     1.05833
             51  15 c z         0.81747     0.81821
             52  16 c s         1.99122     1.98618
             53  16 c s         1.21052     1.06783
             54  16 c x         1.02932     1.05509
             55  16 c y         1.02838     1.05833
             56  16 c z         0.81747     0.81821
             57  17 h s         0.87613     0.92095
             58  18 h s         0.87613     0.92095
             59  19 h s         0.85847     0.90755
             60  20 h s         0.85847     0.90755

          ----- condensed to atoms -----


          ----- total gross population on atoms ----

              1  c            6.0     5.94408     5.91990
              2  c            6.0     5.94408     5.91990
              3  c            6.0     6.03868     6.00054
              4  c            6.0     6.03868     6.00054
              5  c            6.0     6.04060     6.00225
              6  c            6.0     6.04060     6.00225
              7  h            1.0     0.87286     0.92002
              8  h            1.0     0.87286     0.92002
              9  h            1.0     0.87694     0.92272
             10  h            1.0     0.87694     0.92272
             11  c            6.0     6.04010     5.99813
             12  c            6.0     6.04010     5.99813
             13  h            1.0     0.87521     0.92230
             14  h            1.0     0.87521     0.92230
             15  c            6.0     6.07692     5.98564
             16  c            6.0     6.07692     5.98564
             17  h            1.0     0.87613     0.92095
             18  h            1.0     0.87613     0.92095
             19  h            1.0     0.85847     0.90755
             20  h            1.0     0.85847     0.90755


 ================================================================================

          -------------------
          atomic spin density
          -------------------
                                                  ( * pi/(2*(nalpha-nbeta))

              1  c            6.0     0.02551     (     0.04007 )
              2  c            6.0     0.02551     (     0.04007 )
              3  c            6.0    -0.00177     (    -0.00278 )
              4  c            6.0    -0.00177     (    -0.00278 )
              5  c            6.0    -0.00078     (    -0.00122 )
              6  c            6.0    -0.00078     (    -0.00122 )
              7  h            1.0    -0.00051     (    -0.00080 )
              8  h            1.0    -0.00051     (    -0.00080 )
              9  h            1.0    -0.00061     (    -0.00095 )
             10  h            1.0    -0.00061     (    -0.00095 )
             11  c            6.0    -0.01557     (    -0.02446 )
             12  c            6.0    -0.01557     (    -0.02446 )
             13  h            1.0     0.00067     (     0.00105 )
             14  h            1.0     0.00067     (     0.00105 )
             15  c            6.0     0.03904     (     0.06133 )
             16  c            6.0     0.03904     (     0.06133 )
             17  h            1.0    -0.00508     (    -0.00797 )
             18  h            1.0    -0.00508     (    -0.00797 )
             19  h            1.0    -0.00522     (    -0.00820 )
             20  h            1.0    -0.00522     (    -0.00820 )


          ----- spinfree UHF natural orbital occupations -----

               2.0000000     2.0000000     2.0000000     2.0000000     2.0000000     2.0000000     2.0000000

               2.0000000     2.0000000     2.0000000     2.0000000     2.0000000     1.9999997     1.9999997

               1.9999994     1.9999993     1.9999989     1.9999988     1.9999988     1.9999951     1.9999942

               1.9999870     1.9999869     1.9999781     1.9999778     1.9999679     1.9999671     1.9999494

               1.9999468     1.9999006     1.9999005     1.9990955     1.9974660     1.9899482     1.0000000

               0.0100518     0.0025340     0.0009045     0.0000995     0.0000994     0.0000532     0.0000506

               0.0000329     0.0000321     0.0000222     0.0000219     0.0000131     0.0000130     0.0000058

               0.0000049     0.0000012     0.0000012     0.0000011     0.0000007     0.0000006     0.0000003

               0.0000003     0.0000000     0.0000000     0.0000000




 end of wavefunction analysis at    45.83 seconds.

 ================================================================================



 ************************************************************
 ************************************************************
 *                                                          *
 *     job  option  complete at     45.83          seconds  *
 *                                                          *
 ************************************************************
 ************************************************************




 end of  G A M E S S   program at     45.83 seconds



 *summary of dumpfile on ed3  at block       1
 *
 *current length=     457 blocks
 *
 *maximum length= 9999999 blocks
 *
 *section type   block  length
 *      2    3     272      41
 *      3    3     313      41
 *    205    5     250       4
 *    206    6     254       4
 *    207    7     366       4
 *    208    8     370      41
 *    209    9     411       1
 *    210   10     412       4
 *    211   11     416      41
 *    212   12     457       1
 *    213   13     201       1
 *    242   42     354       8
 *    244   44     193       7
 *    253   53     206       4
 *    303  103     200       1
 *    408  101       7      14
 *    420  100     122      71
 *    421   25     258       1
 *    467  167     259      13
 *    490   51     235       5
 *    491    1      61      61
 *    492    2     210      25
 *    493   15       6       1
 *    494   16     365       1
 *    496   18      21      40
 *    497   19     240      10
 *    499   99     362       3
 *    501   21       2       4
 *    504   23     202       4

 *summary of vector sections
 *
 *section    type      created:           title:
 *      2    uhf      13:54:48 on Aug  4  divinylbenzene unrestricted singlepoint
 *      3    uhf      13:54:48 on Aug  4  divinylbenzene unrestricted singlepoint

 file positions
 lfn   block  length
 ===================

 ed2     1021    1021
 ed3      314     314
 ed7       42      42


 ******************************************************************************
 gamess timing analysis
 task                         cpu (seconds)   percent  wall (seconds)   percent
 ******************************************************************************
 input                                 0.01      0.02            0.01      0.03
 vector generation                     0.01      0.02            0.02      0.04
 2e-integral evaluation                0.23      0.50            0.25      0.51
 scf                                   0.76      1.66            0.89      1.81
 wave-function analysis                0.02      0.04            0.03      0.06
 ExCorr. energy                       44.80     97.75           48.01     97.55
 other                                 0.00      0.00            0.00      0.01
 ******************************************************************************
 Total                                45.83                     49.22
 ******************************************************************************

 Memory high water mark
 ======================

 heap memory high water mark =       126866 words
rungamess: gamess completed
rungamess: scratch directory has not been deleted as it is not empty